- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 44.0:
      O   HA    MET   11 - HN    MET   11   2.82 +/- 0.08  96.992% * 99.3074% (0.95  10.0   3.37  43.97) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.17 +/- 0.47   2.980% *  0.0762% (0.73   1.0   0.02  12.08) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.41 +/- 0.93   0.027% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.56 +/- 3.47   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  28.63 +/- 2.77   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.11 +/- 3.39   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  30.78 +/- 4.63   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  34.05 +/- 3.60   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  37.77 +/- 5.69   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  39.07 +/- 5.13   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.75 +/- 3.30   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.42 +/- 2.80   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.558, support = 2.83, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.70 +/- 0.25  40.401% * 68.6590% (0.71  10.0   2.38  12.40) =  59.999%  kept
      O   HA    MET   11 - HN    ALA   12   2.51 +/- 0.12  59.547% * 31.0568% (0.32  10.0   3.50  12.08) =  40.001%  kept
          HA    GLU-  14 - HN    ALA   12   8.24 +/- 0.56   0.052% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.98 +/- 2.31   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.42 +/- 2.53   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  35.90 +/- 4.92   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.88 +/- 2.64   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  31.79 +/- 3.04   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  37.07 +/- 4.38   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.72, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.53 +/- 0.17  97.774% * 97.9874% (0.14  10.0   1.72   5.19) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.86 +/- 0.45   2.226% *  0.1670% (0.20   1.0   0.02   6.68) =   0.004%
          HA    PHE   59 - HN    SER   13  23.37 +/- 1.50   0.000% *  0.4440% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  27.64 +/- 2.28   0.000% *  0.4440% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  34.26 +/- 4.68   0.000% *  0.8273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  33.84 +/- 4.28   0.000% *  0.1302% (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 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.21:
      O   QB    SER   13 - HN    SER   13   2.95 +/- 0.28  99.959% * 99.5044% (0.87  10.0   2.06   7.21) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  13.75 +/- 2.53   0.024% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  14.49 +/- 2.28   0.016% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.34 +/- 1.98   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  30.04 +/- 4.08   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  33.09 +/- 3.72   0.000% *  0.1124% (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 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   2.59 +/- 0.04  99.727% * 99.5491% (0.81  10.0   5.47  50.08) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.18 +/- 0.30   0.226% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.83 +/- 0.66   0.007% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.72 +/- 1.01   0.025% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.80 +/- 1.38   0.003% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.61 +/- 1.13   0.010% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.87 +/- 1.19   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  18.12 +/- 1.67   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  23.16 +/- 1.50   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.2:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.01  99.371% * 98.8751% (0.36  10.0   5.49  77.21) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.74 +/- 0.08   0.591% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.35 +/- 0.84   0.029% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.25 +/- 1.23   0.003% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.58 +/- 1.96   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.77 +/- 0.89   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.24 +/- 0.55   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.21 +/- 1.93   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.11, residual support = 6.68:
      O   HA    SER   13 - HN    GLU-  14   2.45 +/- 0.19  98.633% * 99.4257% (0.67  10.0   2.11   6.68) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.26 +/- 0.44   1.328% *  0.0994% (0.67   1.0   0.02   1.43) =   0.001%
          HA    GLN   17 - HN    GLU-  14   9.69 +/- 0.78   0.031% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  13.99 +/- 2.11   0.005% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.80 +/- 1.65   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.68 +/- 1.18   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.84 +/- 1.63   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.24 +/- 2.07   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.14 +/- 4.08   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.41 +/- 1.54   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 16.6:
          HN    GLN   17 - HN    GLY   16   2.39 +/- 0.11  99.985% * 86.2175% (0.13   3.44  16.63) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.72 +/- 0.91   0.005% *  3.6717% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  12.43 +/- 1.84   0.009% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.73 +/- 1.08   0.001% *  2.5446% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  26.66 +/- 4.71   0.000% *  3.4196% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.62 +/- 1.27   0.000% *  3.5750% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 16.6:
        T HN    GLY   16 - HN    GLN   17   2.39 +/- 0.11 100.000% * 99.8536% (1.00 10.00   3.44  16.63) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.28 +/- 1.43   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.80 +/- 1.74   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.478, support = 2.07, residual support = 6.05:
      O   HA    GLU-  15 - HN    GLY   16   2.51 +/- 0.17  98.023% * 76.7055% (0.47  10.0   2.07   5.99) =  99.432%  kept
          HA    GLN   17 - HN    GLY   16   4.89 +/- 0.07   1.895% * 22.6576% (0.97   1.0   2.90  16.63) =   0.568%  kept
          HA    SER   13 - HN    GLY   16   9.02 +/- 0.71   0.060% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  14.05 +/- 1.96   0.005% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.82 +/- 1.13   0.006% *  0.1082% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.83 +/- 1.60   0.008% *  0.0486% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.25 +/- 1.05   0.002% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.75 +/- 1.09   0.000% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  23.11 +/- 1.72   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.81, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.61 +/- 0.12  67.545% * 12.6997% (0.90   0.02   0.02) =  80.627%  kept
          HA    VAL   70 - HN    GLY   16   7.76 +/- 1.08  30.995% *  6.1679% (0.44   0.02   0.02) =  17.969%  kept
          HA    LYS+  33 - HN    GLY   16  14.79 +/- 1.90   0.804% * 10.5138% (0.75   0.02   0.02) =   0.795%  kept
          HA    GLU-  29 - HN    GLY   16  17.68 +/- 1.55   0.213% * 12.3380% (0.87   0.02   0.02) =   0.247%
          HA    GLN   32 - HN    GLY   16  17.79 +/- 1.82   0.218% *  9.4500% (0.67   0.02   0.02) =   0.194%
          HA    GLN  116 - HN    GLY   16  19.37 +/- 2.27   0.139% *  6.1679% (0.44   0.02   0.02) =   0.080%
          HA    SER   48 - HN    GLY   16  23.46 +/- 1.59   0.037% * 12.6997% (0.90   0.02   0.02) =   0.044%
          HB2   SER   82 - HN    GLY   16  26.84 +/- 2.42   0.018% * 13.2768% (0.94   0.02   0.02) =   0.022%
          HD2   PRO   52 - HN    GLY   16  25.21 +/- 1.45   0.023% *  6.6964% (0.47   0.02   0.02) =   0.014%
          HA    ALA   88 - HN    GLY   16  29.87 +/- 2.33   0.009% *  9.9899% (0.71   0.02   0.02) =   0.008%
    Distance limit 3.47 A violated in 20 structures by 2.69 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 = 82.4:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  61.271% * 95.5843% (0.99  10.0   5.17  84.58) =  97.413%  kept
          HA    GLU-  15 - HN    GLN   17   3.14 +/- 0.20  38.639% *  4.0260% (0.49   1.0   1.72   0.02) =   2.587%  kept
          HA    SER   13 - HN    GLN   17   9.44 +/- 0.78   0.064% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.90 +/- 0.89   0.009% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.62 +/- 1.62   0.003% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.83 +/- 0.90   0.006% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.95 +/- 1.33   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  18.24 +/- 1.13   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.64 +/- 1.63   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.6:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.58) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.12 +/- 2.91   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  21.91 +/- 3.48   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  21.78 +/- 2.54   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  22.73 +/- 2.34   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  31.67 +/- 4.21   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  33.30 +/- 5.70   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.89 +/- 2.66   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.6:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.58) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.76 +/- 2.17   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  23.85 +/- 3.48   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.12 +/- 2.91   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  31.61 +/- 2.29   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.242, support = 3.29, residual support = 18.2:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.05  91.877% * 63.1540% (0.22  10.0   3.26  16.63) =  95.426%  kept
          HA    VAL   18 - HN    GLN   17   4.88 +/- 0.14   7.839% * 35.4751% (0.65   1.0   3.87  50.08) =   4.573%  kept
          HA    VAL   70 - HN    GLN   17   9.04 +/- 0.97   0.237% *  0.2830% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  13.06 +/- 1.60   0.030% *  0.1492% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.57 +/- 1.42   0.009% *  0.2369% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.03 +/- 2.17   0.003% *  0.2830% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.58 +/- 1.09   0.004% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.58 +/- 1.74   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.55 +/- 2.22   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   2.99 +/- 0.89 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.65 A violated in 2 structures by 0.17 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.04  99.943% * 99.2246% (0.65  10.0   4.86  22.71) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.80 +/- 0.59   0.015% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.48 +/- 0.48   0.035% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  14.18 +/- 0.70   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  14.05 +/- 0.48   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.61 +/- 0.84   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.45 +/- 1.86   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.82 +/- 2.14   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.02 +/- 1.73   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 172.1:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.03  99.967% * 99.7071% (0.87  10.0   6.64 172.08) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.74 +/- 0.35   0.023% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.27 +/- 0.96   0.003% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  15.03 +/- 0.39   0.005% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.18 +/- 0.85   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  21.19 +/- 1.81   0.001% *  0.0177% (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 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.24 +/- 0.05  99.977% * 99.7374% (0.97  10.0   5.05  25.47) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.43 +/- 0.52   0.020% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.06 +/- 0.26   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.12 +/- 1.02   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.88 +/- 1.62   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.94 +/- 0.91   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.92 +/- 0.02  99.907% * 99.9455% (0.97  10.0   3.14  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.54 +/- 0.71   0.093% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 3.93, residual support = 9.76:
        T HN    LYS+  74 - HN    CYS   21   2.86 +/- 0.33  99.840% * 99.2410% (0.76 10.00   3.93   9.76) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   9.94 +/- 0.90   0.077% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.06 +/- 0.56   0.070% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.22 +/- 1.35   0.002% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  17.36 +/- 1.86   0.003% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.15 +/- 1.09   0.003% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  21.49 +/- 3.47   0.002% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.03 +/- 1.57   0.002% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.28 +/- 2.21   0.001% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.13 +/- 2.44   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 15.6:
      O   HA    ALA   20 - HN    CYS   21   2.25 +/- 0.02  99.987% * 99.8901% (0.95  10.0   2.96  15.55) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.35 +/- 0.66   0.011% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.82 +/- 1.47   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.39 +/- 1.79   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.45 +/- 1.26   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  19.08 +/- 2.59   0.000% *  0.0114% (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 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.76 +/- 0.04  99.992% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.86 +/- 0.84   0.007% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  20.08 +/- 1.07   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.56 +/- 0.75   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.52:
          HA    PHE   59 - HN    ASP-  62   3.67 +/- 0.31  98.692% * 92.4913% (0.52   1.50   6.52) =  99.982%  kept
          HA    ILE   56 - HN    ASP-  62   7.96 +/- 0.74   1.172% *  1.2332% (0.52   0.02   0.02) =   0.016%
          HA    LEU  123 - HN    ASP-  62  12.46 +/- 1.59   0.088% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.17 +/- 1.02   0.039% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  19.25 +/- 1.45   0.006% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  24.27 +/- 0.98   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  25.22 +/- 2.48   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.47, residual support = 21.3:
          HN    THR   23 - HN    HIS   22   3.71 +/- 0.11  98.717% * 97.3774% (0.69   3.47  21.33) =  99.990%  kept
          HE3   TRP   27 - HN    HIS   22   8.22 +/- 0.99   1.186% *  0.8163% (1.00   0.02   0.02) =   0.010%
          QE    PHE   95 - HN    HIS   22  15.77 +/- 1.37   0.019% *  0.5941% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  12.67 +/- 1.01   0.070% *  0.1433% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  22.56 +/- 1.70   0.002% *  0.8163% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  18.91 +/- 0.74   0.006% *  0.2525% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 4.91:
          HA    ALA   20 - HN    HIS   22   4.89 +/- 0.12  99.700% * 62.6587% (0.95   0.02   4.91) =  99.928%  kept
          HA    LEU   71 - HN    HIS   22  13.09 +/- 0.79   0.291% * 14.7469% (0.22   0.02   0.02) =   0.069%
          HA    LYS+ 102 - HN    HIS   22  23.56 +/- 1.73   0.009% * 22.5944% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 17 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.66, residual support = 13.6:
        T HN    THR   26 - HN    THR   23   4.61 +/- 0.08  87.238% * 94.8877% (0.69 10.00   3.68  13.66) =  99.242%  kept
          HN    LEU   80 - HN    THR   23   6.77 +/- 1.41  12.650% *  4.9997% (0.34  1.00   2.12   7.37) =   0.758%  kept
          HN    ALA   34 - HN    THR   23  14.50 +/- 0.32   0.091% *  0.0344% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.75 +/- 1.08   0.021% *  0.0782% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.17 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.46, residual support = 21.3:
        T HN    HIS   22 - HN    THR   23   3.71 +/- 0.11  84.201% * 99.9047% (0.99 10.00   3.47  21.33) =  99.982%  kept
          HN    ASP-  76 - HN    THR   23   5.09 +/- 0.66  15.799% *  0.0953% (0.95  1.00   0.02   0.02) =   0.018%
    Distance limit 3.48 A violated in 0 structures by 0.23 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.93, residual support = 35.2:
        T HN    GLU-  25 - HN    VAL   24   2.60 +/- 0.06  99.294% * 99.8571% (0.98 10.00   7.93  35.16) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.97 +/- 0.15   0.689% *  0.0419% (0.41  1.00   0.02  12.85) =   0.000%
          HN    ASP-  44 - HN    VAL   24  11.63 +/- 1.16   0.017% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 7.93, residual support = 35.2:
        T HN    VAL   24 - HN    GLU-  25   2.60 +/- 0.06 100.000% *100.0000% (1.00 10.00   7.93  35.16) = 100.000%  kept
    Distance limit 3.34 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 = 5.42, residual support = 28.5:
        T HN    THR   26 - HN    GLU-  25   2.94 +/- 0.08  99.998% * 99.9840% (0.97 10.00   5.42  28.55) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.36 +/- 0.92   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.4, residual support = 28.4:
        T HN    GLU-  25 - HN    THR   26   2.94 +/- 0.08  89.915% * 94.1300% (0.98 10.00   5.42  28.55) =  99.318%  kept
          HN    ASN   28 - HN    THR   26   4.25 +/- 0.19  10.068% *  5.7748% (0.41  1.00   2.93   0.02) =   0.682%  kept
          HN    ASP-  44 - HN    THR   26  12.38 +/- 0.83   0.017% *  0.0952% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.47, residual support = 22.4:
          HN    TRP   27 - HN    THR   26   2.54 +/- 0.07  99.990% * 98.4609% (0.99   4.47  22.36) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  14.88 +/- 2.24   0.004% *  0.2695% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.16 +/- 0.38   0.001% *  0.2874% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  17.40 +/- 3.20   0.002% *  0.1667% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.22 +/- 0.44   0.002% *  0.1108% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.31 +/- 1.00   0.001% *  0.3395% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.01 +/- 1.27   0.000% *  0.3052% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.27 +/- 2.36   0.000% *  0.0601% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.939, support = 3.6, residual support = 13.6:
          HN    THR   23 - HN    THR   26   4.61 +/- 0.08  77.378% * 63.2407% (0.97   3.68  13.66) =  94.814%  kept
          HE3   TRP   27 - HN    THR   26   7.33 +/- 0.33   4.944% * 28.3749% (0.49   3.27  22.36) =   2.718%  kept
          HD2   HIS   22 - HN    THR   26   6.22 +/- 1.09  17.559% *  7.2515% (0.45   0.91   0.02) =   2.467%  kept
          QE    PHE   95 - HN    THR   26  17.40 +/- 1.35   0.031% *  0.3373% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.34 +/- 0.86   0.063% *  0.0483% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.28 +/- 2.02   0.014% *  0.2163% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.81 +/- 0.72   0.007% *  0.3292% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  24.73 +/- 1.69   0.004% *  0.2019% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.892, support = 4.6, residual support = 67.8:
          HE3   TRP   27 - HN    TRP   27   4.92 +/- 0.27  43.823% * 70.5257% (1.00   5.34 101.93) =  66.118%  kept
          HN    THR   23 - HN    TRP   27   4.72 +/- 0.19  55.064% * 28.7619% (0.69   3.16   1.06) =  33.881%  kept
          HN    LYS+  81 - HN    TRP   27  11.53 +/- 1.73   0.331% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.53 +/- 1.32   0.053% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  12.35 +/- 1.44   0.210% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.55 +/- 1.97   0.094% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  11.56 +/- 1.17   0.344% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.26 +/- 1.59   0.005% *  0.2644% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  16.77 +/- 1.71   0.032% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.97 +/- 0.78   0.010% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.62 +/- 0.86   0.030% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  24.57 +/- 1.56   0.003% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.23 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 22.4:
        T HN    THR   26 - HN    TRP   27   2.54 +/- 0.07  99.996% * 99.8587% (0.97 10.00   4.47  22.36) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  19.31 +/- 1.00   0.001% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.48 +/- 0.91   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.30 +/- 1.37   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.84 +/- 0.34  99.884% * 91.0962% (0.12 10.00   6.75  31.96) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  17.59 +/- 1.52   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.57 +/- 2.55   0.044% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  11.51 +/- 2.18   0.043% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.59 +/- 2.05   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.27 +/- 0.97   0.023% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.39 +/- 1.69   0.001% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.94 +/- 2.27   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 5.25, residual support = 51.6:
        T HN    ASN   28 - HN    TRP   27   2.74 +/- 0.14  89.952% * 94.8625% (0.99 10.00   5.27  51.90) =  99.427%  kept
          HN    GLU-  25 - HN    TRP   27   3.98 +/- 0.08   9.996% *  4.9193% (0.38  1.00   2.74   0.27) =   0.573%  kept
          HN    ASP-  44 - HN    TRP   27  10.14 +/- 0.87   0.041% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.73 +/- 1.17   0.001% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.57 +/- 1.26   0.008% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.22 +/- 1.00   0.001% *  0.0466% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  17.86 +/- 1.22   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  27.70 +/- 1.73   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.0, residual support = 101.9:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.970% * 99.6427% (0.76  10.0   2.00 101.93) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.58 +/- 0.85   0.028% *  0.1295% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  17.11 +/- 2.03   0.002% *  0.0998% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  20.20 +/- 2.60   0.001% *  0.1280% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 1.49, residual support = 101.9:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.997% * 99.8546% (0.45  10.0   1.49 101.93) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  16.64 +/- 1.21   0.003% *  0.1454% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 5.14, residual support = 32.8:
          HN    GLU-  29 - HN    ASN   28   2.71 +/- 0.08  87.716% * 67.0366% (0.98   5.28  34.48) =  93.628%  kept
          HN    GLN   30 - HN    ASN   28   3.78 +/- 0.11  12.271% * 32.6108% (0.80   3.14   8.76) =   6.372%  kept
          HN    ASP-  86 - HN    ASN   28  13.75 +/- 3.25   0.010% *  0.2248% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  18.71 +/- 2.09   0.001% *  0.0577% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.67 +/- 0.46   0.002% *  0.0351% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  22.27 +/- 3.57   0.000% *  0.0351% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.27, residual support = 51.9:
          HN    TRP   27 - HN    ASN   28   2.74 +/- 0.14  99.955% * 98.6901% (0.99   5.27  51.90) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  13.52 +/- 2.98   0.015% *  0.2293% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  15.03 +/- 4.16   0.009% *  0.1419% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.51 +/- 0.34   0.005% *  0.2446% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.55 +/- 0.32   0.012% *  0.0943% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.73 +/- 1.17   0.001% *  0.2889% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.05 +/- 1.37   0.001% *  0.2597% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.52 +/- 2.58   0.002% *  0.0512% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.37, residual support = 51.9:
          HD1   TRP   27 - HN    ASN   28   3.56 +/- 0.44  99.501% * 98.1329% (0.41   5.37  51.90) =  99.997%  kept
          HE21  GLN   30 - HN    ASN   28   9.01 +/- 0.30   0.493% *  0.6800% (0.76   0.02   8.76) =   0.003%
          QD    PHE   59 - HN    ASN   28  19.51 +/- 2.00   0.005% *  0.3658% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  23.37 +/- 2.07   0.002% *  0.8213% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 106.5:
          HD22  ASN   28 - HN    ASN   28   2.32 +/- 0.44  99.998% * 99.9339% (0.92   5.74 106.49) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  15.40 +/- 0.97   0.002% *  0.0661% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 106.5:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.94 106.49) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.89 +/- 1.35   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 = 2.74:
          HA    GLU-  25 - HD21  ASN   28   4.68 +/- 0.15  98.671% * 96.5836% (1.00   1.27   2.74) =  99.987%  kept
          HA    SER   82 - HD21  ASN   28  12.00 +/- 3.90   1.167% *  0.8642% (0.57   0.02   0.02) =   0.011%
          HA    ILE   19 - HD21  ASN   28  14.05 +/- 0.61   0.149% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    CYS   53 - HD21  ASN   28  21.16 +/- 1.33   0.013% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.36 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.97, residual support = 105.2:
      O   HA    ASN   28 - HN    ASN   28   2.77 +/- 0.03  92.677% * 86.1444% (0.84  10.0   6.00 106.49) =  98.788%  kept
          HA    THR   26 - HN    ASN   28   4.28 +/- 0.22   7.300% * 13.4114% (0.65   1.0   4.02   0.02) =   1.212%  kept
          HA    ALA   34 - HN    ASN   28  11.85 +/- 0.30   0.015% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.89 +/- 4.06   0.007% *  0.1029% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.67 +/- 1.72   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.07 +/- 1.37   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.82 +/- 2.49   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.69 +/- 4.49   0.000% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.904, support = 4.86, residual support = 95.8:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  57.621% * 90.4766% (0.97  10.0   4.99 101.93) =  92.991%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  42.360% *  9.2758% (0.10  10.0   3.12  14.59) =   7.009%  kept
          HA    PRO   52 - HN    ALA   91  12.42 +/- 1.99   0.010% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.68 +/- 1.83   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.42 +/- 1.37   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.40 +/- 0.90   0.002% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.63 +/- 2.66   0.004% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.14 +/- 1.20   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.14 +/- 1.14   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.06 +/- 2.16   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.47, residual support = 22.4:
          HB    THR   26 - HN    TRP   27   2.95 +/- 0.09  99.957% * 99.0086% (0.99   4.47  22.36) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  13.48 +/- 2.85   0.019% *  0.0782% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.30 +/- 1.00   0.001% *  0.4311% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.45 +/- 0.93   0.021% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.49 +/- 0.89   0.001% *  0.0547% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  28.11 +/- 1.63   0.000% *  0.3244% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.88 +/- 1.64   0.001% *  0.0533% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  23.37 +/- 1.57   0.000% *  0.0401% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  24.09 +/- 1.43 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.34 A violated in 20 structures by 19.75 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.35, residual support = 34.1:
      O   HB    THR   26 - HN    THR   26   2.23 +/- 0.12  94.775% * 21.3631% (0.15  10.0   4.16  35.16) =  83.199%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.02   5.216% * 78.3875% (0.57  10.0   5.26  28.55) =  16.801%  kept
          HA    SER   82 - HN    THR   26  13.61 +/- 2.38   0.003% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.21 +/- 0.25   0.006% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  22.94 +/- 1.03   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  21.88 +/- 1.17   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.727, support = 3.17, residual support = 6.39:
          HB    THR   23 - HN    GLU-  25   3.94 +/- 0.44  63.762% * 39.3046% (0.53   3.45   6.39) =  55.773%  kept
          HA    THR   23 - HN    GLU-  25   4.41 +/- 0.24  33.181% * 59.8669% (0.98   2.82   6.39) =  44.207%  kept
          HA    LEU   80 - HN    GLU-  25   7.22 +/- 1.84   3.005% *  0.2978% (0.69   0.02   0.02) =   0.020%
          HA    ASP-  78 - HN    GLU-  25  13.00 +/- 0.54   0.051% *  0.4101% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  24.39 +/- 1.80   0.001% *  0.1205% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.17 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.88, residual support = 127.2:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.955% * 99.7793% (0.87  10.0   5.88 127.25) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  11.07 +/- 2.59   0.038% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.60 +/- 0.18   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  21.81 +/- 1.48   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.706, support = 5.38, residual support = 25.9:
      O   HA    THR   23 - HN    VAL   24   2.62 +/- 0.22  63.574% * 92.2607% (0.73  10.0   5.39  25.90) =  95.958%  kept
          HB    THR   23 - HN    VAL   24   3.19 +/- 0.68  32.695% *  7.5511% (0.22   1.0   5.34  25.90) =   4.039%  kept
          HA    LEU   80 - HN    VAL   24   5.02 +/- 2.03   3.699% *  0.0433% (0.34   1.0   0.02   9.00) =   0.003%
          HA    ASP-  78 - HN    VAL   24  10.56 +/- 0.53   0.014% *  0.1226% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.80 +/- 1.27   0.018% *  0.0223% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 3.14, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.36 +/- 0.19  92.529% * 37.7551% (0.61  10.0   3.04  19.06) =  88.517%  kept
      O   HB    THR   23 - HN    THR   23   3.70 +/- 0.31   7.297% * 62.1094% (1.00  10.0   3.94  19.06) =  11.483%  kept
          HA    LEU   80 - HN    THR   23   7.50 +/- 1.71   0.164% *  0.0589% (0.95   1.0   0.02   7.37) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.18 +/- 0.55   0.010% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.27 +/- 1.24   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.723, support = 0.0199, residual support = 0.203:
          HA    ALA   20 - HN    THR   23   5.74 +/- 0.16  99.595% * 46.5057% (0.73   0.02   0.20) =  99.534%  kept
          HA    LEU   71 - HN    THR   23  14.54 +/- 0.78   0.405% * 53.4943% (0.84   0.02   0.02) =   0.466%
    Distance limit 3.90 A violated in 20 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.47, residual support = 13.7:
          HB    THR   26 - HN    THR   23   3.77 +/- 0.09  99.912% * 98.5010% (0.99   2.47  13.66) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.95 +/- 1.77   0.083% *  0.1407% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.04 +/- 1.08   0.005% *  0.7751% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.16 +/- 1.40   0.001% *  0.5832% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.14 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 106.5:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.955% * 99.7763% (0.98  10.0   2.94 106.49) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   9.28 +/- 5.28   0.045% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.00 +/- 1.45   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.70 +/- 1.38   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.39 +/- 1.68   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 34.5:
        T HN    ASN   28 - HN    GLU-  29   2.71 +/- 0.08  99.195% * 99.7796% (0.76 10.00   5.28  34.48) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.09 +/- 0.20   0.796% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.94 +/- 0.86   0.009% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.79 +/- 1.04   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.95, residual support = 51.0:
        T HN    LEU   31 - HN    GLN   30   2.51 +/- 0.09  99.992% * 98.4622% (0.73 10.00   6.95  51.05) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.94 +/- 1.21   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  19.44 +/- 3.11   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.08 +/- 1.26   0.006% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.82 +/- 1.01   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.02 +/- 1.18   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.82 +/- 1.15   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  22.61 +/- 3.88   0.000% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.46 +/- 1.42   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.82 +/- 1.45   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 45.7:
        T HN    LEU   31 - HN    GLN   32   2.75 +/- 0.10  99.915% * 99.0995% (0.98 10.00   5.86  45.74) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   9.00 +/- 0.15   0.083% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.59 +/- 1.01   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.12 +/- 1.04   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  20.94 +/- 3.65   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.85 +/- 1.01   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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  44.20) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.11 +/- 2.55   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  27.17 +/- 3.49   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  31.08 +/- 2.85   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  36.05 +/- 3.20   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 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  99.995% * 98.9152% (0.83  10.0 10.00   1.00  44.20) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  10.62 +/- 1.74   0.004% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.71 +/- 1.74   0.001% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  21.56 +/- 3.51   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.10 +/- 2.83   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.11 +/- 2.55   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.64 +/- 1.95   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  31.08 +/- 2.85   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.60 +/- 1.06   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  20.52 +/- 1.94   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.55 +/- 2.17   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.35 +/- 1.47   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.81 +/- 2.77   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.65 +/- 1.23   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.78 +/- 3.66   0.000% *  0.0141% (0.12   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 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   2.33 +/- 0.02  99.153% * 98.7867% (0.90   5.88  52.06) =  99.997%  kept
          HN    THR   39 - HN    ASN   35   5.22 +/- 0.30   0.834% *  0.3618% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  11.77 +/- 1.83   0.009% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.66 +/- 0.30   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  21.30 +/- 3.97   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  26.42 +/- 1.68   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 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  55.52) = 100.000%  kept
    Distance limit 2.52 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  99.772% * 99.5029% (0.98  10.0   4.55  55.52) = 100.000%  kept
          HA    LEU   40 - HN    ASN   35   8.50 +/- 0.38   0.145% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASN   35   9.90 +/- 1.66   0.073% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.79 +/- 1.35   0.006% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.49 +/- 2.45   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  24.48 +/- 5.60   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.84 +/- 1.46   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  26.02 +/- 1.49   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.87 +/- 1.32   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.42, residual support = 154.4:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.990% * 99.6989% (0.90  10.0   2.42 154.37) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.45 +/- 0.87   0.010% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  15.78 +/- 1.57   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.58 +/- 1.93   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 2.42, residual support = 154.4:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.42 154.37) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.59 +/- 1.52   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.35 +/- 1.14   0.000% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.227, support = 0.0199, residual support = 0.0199:
          HA    VAL   42 - HN    GLN   30  11.87 +/- 0.66   7.280% *  6.4793% (0.25   0.02   0.02) =  47.161%  kept
          HA    VAL   42 - HN    LYS+  99   7.69 +/- 0.70  89.253% *  0.4257% (0.02   0.02   0.02) =  37.989%  kept
          HA    GLN   90 - HN    GLN   30  21.54 +/- 1.47   0.246% * 25.0767% (0.97   0.02   0.02) =   6.177%  kept
          HA    ALA  110 - HN    GLN   30  25.49 +/- 2.75   0.098% * 25.9267% (1.00   0.02   0.02) =   2.539%  kept
          HA    VAL  107 - HN    GLN   30  21.97 +/- 1.25   0.202% *  8.8635% (0.34   0.02   0.02) =   1.791%  kept
          HA    ALA   91 - HN    GLN   30  21.90 +/- 1.61   0.238% *  5.7850% (0.22   0.02   0.02) =   1.378%  kept
          HA    VAL  107 - HN    LYS+  99  14.52 +/- 0.57   2.108% *  0.5823% (0.02   0.02   0.02) =   1.228%  kept
          HA    PHE   55 - HN    GLN   30  27.40 +/- 1.68   0.048% * 21.7040% (0.84   0.02   0.02) =   1.035%  kept
          HA    ALA  110 - HN    LYS+  99  21.17 +/- 1.42   0.243% *  1.7034% (0.07   0.02   0.02) =   0.413%
          HA    GLN   90 - HN    LYS+  99  24.79 +/- 1.48   0.094% *  1.6475% (0.06   0.02   0.02) =   0.154%
          HA    PHE   55 - HN    LYS+  99  26.28 +/- 1.70   0.061% *  1.4259% (0.05   0.02   0.02) =   0.087%
          HA    ALA   91 - HN    LYS+  99  23.25 +/- 0.81   0.130% *  0.3801% (0.01   0.02   0.02) =   0.049%
    Distance limit 4.23 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.817, support = 4.66, residual support = 39.2:
          HN    ALA   34 - HN    LYS+  33   2.44 +/- 0.08  66.346% * 79.2137% (0.90   4.58  42.81) =  88.631%  kept
          HN    GLN   32 - HN    LYS+  33   2.74 +/- 0.06  33.653% * 20.0321% (0.20   5.25  11.31) =  11.369%  kept
          HN    LEU   80 - HN    LYS+  33  18.60 +/- 1.83   0.000% *  0.3721% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.51 +/- 0.95   0.000% *  0.3821% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.08 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  55.52) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  19.72 +/- 1.55   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.76 +/- 1.23   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.56 +/- 1.11   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.69 +/- 1.49   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.90 +/- 2.78   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 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   2.33 +/- 0.02  99.996% * 99.7986% (0.99 10.00   5.88  52.06) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  13.08 +/- 0.79   0.003% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.43 +/- 3.42   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.327, support = 3.65, residual support = 15.8:
          HN    GLU-  36 - HN    SER   37   2.43 +/- 0.07  86.145% * 38.5605% (0.25   3.97  18.93) =  80.348%  kept
          HN    THR   39 - HN    SER   37   3.32 +/- 0.13  13.849% * 58.6685% (0.65   2.33   3.17) =  19.652%  kept
          HN    TRP   27 - HN    SER   37  15.17 +/- 0.29   0.001% *  0.7716% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.85 +/- 1.39   0.005% *  0.1054% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.14 +/- 1.20   0.000% *  0.5348% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  24.32 +/- 3.92   0.000% *  0.4722% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  23.97 +/- 5.67   0.000% *  0.2922% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  29.05 +/- 1.63   0.000% *  0.5950% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.934, support = 5.18, residual support = 27.1:
          HN    THR   39 - HN    LYS+  38   2.65 +/- 0.12  85.763% * 83.1846% (0.95   5.29  27.89) =  96.941%  kept
          HN    GLU-  36 - HN    LYS+  38   3.59 +/- 0.03  14.217% * 15.8337% (0.57   1.68   0.63) =   3.059%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.36 +/- 1.35   0.017% *  0.1249% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.11 +/- 0.28   0.002% *  0.2543% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  24.35 +/- 3.97   0.000% *  0.3072% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.25 +/- 1.20   0.000% *  0.1135% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  23.73 +/- 5.79   0.000% *  0.0450% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.03 +/- 1.62   0.000% *  0.1368% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.32 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  88.108% * 83.7509% (0.38  10.0   4.70  52.06) =  97.717%  kept
          HA    SER   37 - HN    GLU-  36   5.02 +/- 0.06  11.536% * 14.9398% (0.38   1.0   3.57  18.93) =   2.282%  kept
          HA    LEU   40 - HN    GLU-  36   9.83 +/- 0.26   0.206% *  0.2232% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  11.34 +/- 1.59   0.105% *  0.0556% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.79 +/- 1.48   0.023% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.66 +/- 2.58   0.014% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  19.15 +/- 1.35   0.004% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  25.39 +/- 5.65   0.002% *  0.1174% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.30 +/- 1.45   0.000% *  0.2154% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.07 +/- 0.54   0.001% *  0.1000% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.47 +/- 1.41   0.000% *  0.0917% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.7:
      O   HA    GLU-  36 - HN    GLU-  36   2.84 +/- 0.02  99.999% * 99.7892% (0.69  10.0   6.06  86.69) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  22.98 +/- 1.02   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  26.03 +/- 2.33   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  25.95 +/- 6.22   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 26.9:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.807% * 99.4774% (0.97  10.0   4.07  26.90) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.55 +/- 0.13   0.158% *  0.0542% (0.53   1.0   0.02   0.12) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.47 +/- 1.50   0.014% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.55 +/- 2.41   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.42 +/- 0.19   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.95 +/- 1.44   0.002% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.08 +/- 0.52   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.32 +/- 1.37   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.47 +/- 0.01  99.998% * 99.6452% (0.34  10.0   4.29  18.93) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  21.22 +/- 1.05   0.002% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  27.05 +/- 2.14   0.000% *  0.0728% (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 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.82, residual support = 13.3:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.04  99.025% * 99.2058% (0.73  10.0   4.82  13.34) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.45 +/- 0.13   0.900% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  14.27 +/- 1.47   0.023% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.79 +/- 2.28   0.010% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.94 +/- 0.17   0.033% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.49 +/- 1.42   0.004% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  22.84 +/- 5.83   0.003% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.18 +/- 0.51   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  26.38 +/- 1.37   0.000% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.53 +/- 1.41   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.18 +/- 0.08  99.977% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  23.06 +/- 6.46   0.014% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  21.05 +/- 0.97   0.006% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  27.53 +/- 2.16   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.81 +/- 1.73   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.81, residual support = 38.1:
      O   HA    THR   39 - HN    THR   39   2.86 +/- 0.02  99.984% * 99.4345% (1.00  10.0   3.81  38.09) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  13.26 +/- 0.57   0.010% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.01 +/- 0.30   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.30 +/- 3.06   0.002% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.84 +/- 1.31   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.96 +/- 0.81   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.23 +/- 0.83   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.33 +/- 3.27   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.48 +/- 1.32   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.02  99.987% * 99.4345% (1.00  10.0   4.03  23.70) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.76 +/- 0.91   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.43 +/- 0.28   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.73 +/- 1.30   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.98 +/- 2.47   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.74 +/- 0.75   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.95 +/- 0.74   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  27.71 +/- 3.11   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.67 +/- 1.47   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 5.19, residual support = 101.2:
      O   HA    LEU   40 - HN    LEU   40   2.79 +/- 0.01  95.446% * 99.4414% (1.00  10.0   5.19 101.21) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.26 +/- 1.34   4.236% *  0.0248% (0.25   1.0   0.02  11.90) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.44 +/- 0.34   0.131% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.40 +/- 0.16   0.130% *  0.0373% (0.38   1.0   0.02   0.12) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.40 +/- 1.32   0.027% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  15.98 +/- 5.74   0.018% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.25 +/- 1.56   0.003% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  14.00 +/- 1.46   0.008% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.49 +/- 1.32   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.02 +/- 0.43   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.56 +/- 1.39   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 74.1:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  99.991% * 99.4222% (0.22  10.0   4.51  74.09) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.68 +/- 0.37   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  17.98 +/- 0.76   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.61 +/- 0.76   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 5.02, residual support = 18.9:
      O   HA    LEU   40 - HN    VAL   41   2.25 +/- 0.04  85.095% * 99.4414% (1.00  10.0   5.02  18.91) =  99.996%  kept
          HA    LYS+  99 - HN    VAL   41   3.60 +/- 1.55  14.856% *  0.0248% (0.25   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    VAL   41   8.24 +/- 0.38   0.037% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.05 +/- 0.27   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.75 +/- 1.35   0.002% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  17.27 +/- 5.33   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.34 +/- 1.38   0.001% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.09 +/- 1.72   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  20.02 +/- 1.40   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.18 +/- 0.57   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  21.07 +/- 1.57   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.05, residual support = 26.7:
        T HN    LEU   98 - HN    VAL   41   3.76 +/- 1.17 100.000% *100.0000% (0.97 10.00   5.05  26.65) = 100.000%  kept
    Distance limit 4.12 A violated in 1 structures by 0.22 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.84, residual support = 5.86:
          HA    PHE   72 - HN    VAL   42   3.86 +/- 0.69 100.000% *100.0000% (0.22   1.84   5.86) = 100.000%  kept
    Distance limit 4.15 A violated in 2 structures by 0.17 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.12, residual support = 23.7:
      O   HA    VAL   41 - HN    VAL   42   2.21 +/- 0.03  99.993% * 99.4222% (0.22  10.0   5.12  23.72) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.23 +/- 0.19   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  14.68 +/- 0.88   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.20 +/- 0.48   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.41, residual support = 88.5:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.948% * 99.6568% (0.87  10.0   5.41  88.53) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.99 +/- 1.25   0.027% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.80 +/- 0.41   0.015% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.74 +/- 0.32   0.006% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.69 +/- 2.67   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.55 +/- 1.40   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  20.82 +/- 1.14   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.07, residual support = 40.2:
      O   HA    VAL   42 - HN    VAL   43   2.21 +/- 0.02  99.991% * 99.7026% (1.00  10.0   5.07  40.21) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.52 +/- 0.39   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.95 +/- 0.72   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.19 +/- 2.34   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.85 +/- 0.39   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  17.25 +/- 1.16   0.000% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.87 +/- 1.28   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 1.62, residual support = 3.74:
          HA    LYS+  74 - HN    ASP-  44   3.84 +/- 0.35  98.865% * 93.3976% (0.28   1.62   3.74) =  99.986%  kept
          HA    VAL   41 - HN    ASP-  44   8.48 +/- 0.30   0.984% *  0.8210% (0.20   0.02   0.02) =   0.009%
          HA    MET   92 - HN    ASP-  44  12.35 +/- 0.88   0.127% *  3.5987% (0.87   0.02   0.02) =   0.005%
          HA    HIS  122 - HN    ASP-  44  16.28 +/- 2.52   0.025% *  2.1827% (0.53   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.24 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.3:
      O   HA    VAL   43 - HN    ASP-  44   2.20 +/- 0.04  99.979% * 99.8182% (0.87  10.0   3.71  15.33) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.59 +/- 0.49   0.016% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.95 +/- 0.66   0.004% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.33 +/- 0.62   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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  99.930% * 98.9185% (0.49  10.0   3.77  37.78) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.25 +/- 0.78   0.034% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.46 +/- 1.03   0.018% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  16.56 +/- 3.06   0.004% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.86 +/- 0.82   0.006% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.31 +/- 1.46   0.003% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  16.83 +/- 2.29   0.003% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  22.45 +/- 2.60   0.001% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.42 +/- 2.85   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.43, residual support = 27.7:
        T HN    THR   94 - HN    PHE   45   2.88 +/- 0.62  99.936% * 99.8815% (0.84 10.00   3.43  27.71) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  11.46 +/- 0.67   0.064% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 80.1:
          QD    PHE   45 - HN    PHE   45   2.12 +/- 0.42  99.996% * 98.5418% (0.53   5.62  80.10) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.77 +/- 1.80   0.003% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  18.91 +/- 1.39   0.000% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.48 +/- 1.24   0.000% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 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   3.99 +/- 0.71 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.54 A violated in 1 structures by 0.13 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.1:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.960% * 99.9134% (0.99  10.0   4.00  80.10) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.11 +/- 0.39   0.020% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.57 +/- 0.73   0.017% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.29 +/- 2.01   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 19.3:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.03  99.910% * 99.3093% (1.00  10.0   4.04  19.26) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.90 +/- 0.81   0.035% *  0.0984% (0.99   1.0   0.02   8.54) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.53 +/- 1.64   0.044% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.50 +/- 1.28   0.003% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  14.85 +/- 2.00   0.002% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  14.04 +/- 0.83   0.002% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.37 +/- 0.95   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  15.46 +/- 2.66   0.001% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.42 +/- 0.40   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.04 +/- 1.51   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.30 +/- 2.83   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.29 +/- 2.54   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.41, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.43 +/- 0.18  99.805% * 94.4332% (0.22   4.41  12.48) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.47 +/- 1.55   0.031% *  1.8193% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  13.97 +/- 1.48   0.124% *  0.2967% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  18.32 +/- 1.98   0.026% *  1.1665% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  21.58 +/- 1.29   0.008% *  1.8561% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.47 +/- 0.99   0.005% *  0.4282% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.94:
          HA    ASP-  76 - HN    THR   46   4.13 +/- 1.22  99.974% * 98.8092% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.56 +/- 1.18   0.026% *  1.1908% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 3 structures by 0.49 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.29 +/- 0.08  99.941% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.57 +/- 0.69   0.043% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  10.35 +/- 1.11   0.015% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.08 +/- 0.31   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.92 +/- 0.03  99.826% * 99.4016% (0.57  10.0   3.25  34.51) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.43 +/- 0.99   0.114% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.35 +/- 0.21   0.018% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  13.22 +/- 3.07   0.027% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.87 +/- 1.48   0.012% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  16.20 +/- 1.15   0.004% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.19 +/- 0.58   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 2.54, residual support = 9.72:
          HN    THR   77 - HN    THR   46   3.68 +/- 0.89 100.000% *100.0000% (1.00   2.54   9.72) = 100.000%  kept
    Distance limit 4.65 A violated in 1 structures by 0.07 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 2.35, residual support = 11.0:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  83.485% * 96.8065% (0.90  10.0   2.36  11.04) =  99.424%  kept
          HA    CYS   50 - HN    ALA   47   4.64 +/- 1.39  15.905% *  2.9393% (0.73   1.0   0.75   6.89) =   0.575%  kept
          HA    TRP   49 - HN    ALA   47   6.95 +/- 0.47   0.516% *  0.0568% (0.53   1.0   0.02  15.95) =   0.000%
          HA1   GLY  109 - HN    ALA   47  12.27 +/- 2.13   0.050% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.20 +/- 1.44   0.041% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  15.97 +/- 1.01   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.43 +/- 0.14  99.912% * 99.4016% (0.57  10.0   3.07  12.65) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   9.10 +/- 1.11   0.047% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.96 +/- 1.42   0.019% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.86 +/- 3.14   0.020% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.75 +/- 0.62   0.001% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  18.14 +/- 1.45   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.06 +/- 0.71   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.34, residual support = 14.9:
        T HN    TRP   49 - HN    SER   48   2.58 +/- 0.11  94.636% * 99.8547% (0.84 10.00   4.34  14.91) =  99.996%  kept
          HN    CYS   50 - HN    SER   48   4.43 +/- 0.72   5.355% *  0.0725% (0.61  1.00   0.02   0.02) =   0.004%
          HN    VAL   83 - HN    SER   48  12.95 +/- 1.32   0.008% *  0.0237% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  19.71 +/- 0.97   0.001% *  0.0491% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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   2.32 +/- 0.06  98.823% * 99.6576% (0.90  10.0   2.19   6.27) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.15 +/- 0.10   0.841% *  0.0585% (0.53   1.0   0.02  14.91) =   0.000%
          HA    CYS   50 - HN    SER   48   6.31 +/- 0.70   0.331% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.72 +/- 1.56   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.42 +/- 2.31   0.002% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  16.70 +/- 1.62   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.93, residual support = 86.2:
          HD1   TRP   49 - HN    TRP   49   2.64 +/- 0.68  99.931% * 98.3000% (0.92   4.93  86.17) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.97 +/- 1.78   0.026% *  0.2793% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.28 +/- 0.86   0.030% *  0.1077% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  15.98 +/- 1.93   0.008% *  0.2966% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  20.38 +/- 2.34   0.003% *  0.3457% (0.80   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.72 +/- 0.77   0.000% *  0.4232% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.52 +/- 1.10   0.002% *  0.0854% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  29.84 +/- 1.98   0.000% *  0.1620% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.34, residual support = 14.9:
        T HN    SER   48 - HN    TRP   49   2.58 +/- 0.11 100.000% *100.0000% (0.84 10.00   4.34  14.91) = 100.000%  kept
    Distance limit 3.69 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 = 0.945, support = 2.07, residual support = 6.19:
      O   HA    CYS   50 - HN    CYS   50   2.63 +/- 0.31  66.873% * 50.1112% (0.98  10.0   1.78   7.39) =  68.508%  kept
      O   HA    TRP   49 - HN    CYS   50   3.20 +/- 0.49  30.983% * 49.7164% (0.87  10.0   2.69   3.58) =  31.490%  kept
          HA    ALA   47 - HN    CYS   50   4.92 +/- 0.85   2.116% *  0.0324% (0.57   1.0   0.02   6.89) =   0.001%
          HA1   GLY  109 - HN    CYS   50  13.64 +/- 2.59   0.011% *  0.0553% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  13.70 +/- 2.11   0.016% *  0.0257% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.44 +/- 1.36   0.000% *  0.0394% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  28.04 +/- 2.76   0.000% *  0.0196% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 4.56, residual support = 84.3:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.08  81.905% * 79.5078% (0.87  10.0   4.60  86.17) =  97.541%  kept
          HA    ALA   47 - HN    TRP   49   3.94 +/- 0.21  12.935% *  7.7164% (0.57   1.0   2.97  15.95) =   1.495%  kept
          HA    CYS   50 - HN    TRP   49   4.71 +/- 0.41   5.129% * 12.5520% (0.98   1.0   2.79   3.58) =   0.964%  kept
          HA1   GLY  109 - HN    TRP   49  15.12 +/- 2.44   0.010% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.91 +/- 2.06   0.019% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  18.72 +/- 1.44   0.001% *  0.0630% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.14 +/- 3.30   0.000% *  0.0313% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 2.32, residual support = 86.2:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.987% * 99.6863% (0.92  10.0   2.32  86.17) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  12.90 +/- 1.72   0.010% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  16.77 +/- 1.88   0.002% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  21.53 +/- 1.72   0.000% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.51 +/- 2.11   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.12 +/- 2.81   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.39:
      O   HA    CYS   50 - HN    GLY   51   2.76 +/- 0.50  88.789% * 99.4354% (0.98  10.0   1.39   1.39) =  99.985%  kept
          HA    TRP   49 - HN    GLY   51   4.79 +/- 0.82  10.073% *  0.1264% (0.87   1.0   0.02   0.02) =   0.014%
          HA    ALA   47 - HN    GLY   51   7.69 +/- 1.20   0.593% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  13.37 +/- 2.91   0.422% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    GLY   51  12.64 +/- 3.17   0.122% *  0.1406% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  21.92 +/- 1.33   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.99 +/- 3.12   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.9, residual support = 9.96:
      O   HA1   GLY   51 - HN    GLY   51   2.37 +/- 0.24  99.967% * 99.5416% (0.92  10.0   2.90   9.96) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.76 +/- 1.05   0.017% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.65 +/- 1.14   0.009% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  16.37 +/- 2.25   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.76 +/- 1.25   0.003% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.59 +/- 1.97   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  21.58 +/- 2.13   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.22 +/- 2.86   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.46 +/- 1.67   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.44 +/- 2.97   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.15, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.65 +/- 0.10  99.994% * 99.1159% (0.98 10.00   6.15  31.88) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.60 +/- 0.87   0.006% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.14 +/- 0.90   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.49 +/- 1.12   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.15, residual support = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.65 +/- 0.10  99.990% * 99.6035% (0.85 10.00   6.15  31.88) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.60 +/- 0.87   0.006% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  16.67 +/- 1.88   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.49 +/- 1.80   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.18 +/- 0.97   0.001% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.61 +/- 0.90   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.12 +/- 1.04   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  21.78 +/- 1.14   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.247, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.16 +/- 0.76  76.838% *  4.3392% (0.10   0.02   0.02) =  56.811%  kept
          HD21  ASN   69 - HN    ASP-  62  14.68 +/- 1.46  17.001% *  5.8573% (0.14   0.02   0.02) =  16.967%  kept
          HN    TRP   87 - HN    ARG+  54  19.38 +/- 1.41   3.276% * 29.7440% (0.69   0.02   0.02) =  16.603%  kept
          HN    GLN   17 - HN    ARG+  54  21.60 +/- 1.10   1.538% * 23.1904% (0.54   0.02   0.02) =   6.075%  kept
          HD21  ASN   69 - HN    ARG+  54  25.91 +/- 1.31   0.516% * 31.3037% (0.72   0.02   0.02) =   2.754%  kept
          HN    TRP   87 - HN    ASP-  62  24.20 +/- 1.86   0.832% *  5.5654% (0.13   0.02   0.02) =   0.789%  kept
    Distance limit 3.83 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 19.0:
          HN    PHE   55 - HN    ILE   56   2.53 +/- 0.20  99.813% * 99.1162% (0.95   3.94  19.02) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.75 +/- 0.62   0.037% *  0.1644% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   7.98 +/- 0.34   0.113% *  0.0200% (0.04   0.02   5.31) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  12.77 +/- 5.70   0.036% *  0.0087% (0.02   0.02   1.58) =   0.000%
          HN    ALA   88 - HN    ILE   56  20.86 +/- 1.50   0.000% *  0.4619% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.28 +/- 1.20   0.000% *  0.1999% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.79 +/- 2.21   0.000% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  22.50 +/- 3.66   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 33.6:
          HN    ALA   57 - HN    ILE   56   3.19 +/- 0.74  99.844% * 99.0131% (0.87   5.18  33.59) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  13.09 +/- 1.74   0.057% *  0.3531% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.49 +/- 1.24   0.021% *  0.1813% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  19.24 +/- 2.01   0.005% *  0.3955% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.82 +/- 2.14   0.069% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.18 +/- 2.70   0.003% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  27.35 +/- 4.33   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  25.44 +/- 4.31   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 4 structures by 0.34 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.04, residual support = 123.7:
      O   HA    ILE   56 - HN    ILE   56   2.90 +/- 0.04  99.095% * 95.8570% (0.15  10.0   5.04 123.71) =  99.995%  kept
          HA    THR   46 - HN    ILE   56   8.39 +/- 1.47   0.537% *  0.4975% (0.80   1.0   0.02   0.02) =   0.003%
          HA    PRO   58 - HN    ILE   56   7.68 +/- 0.43   0.311% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  17.25 +/- 1.08   0.002% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  17.07 +/- 1.00   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.23 +/- 1.13   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.79 +/- 2.70   0.014% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.70 +/- 1.25   0.002% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  23.21 +/- 1.01   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  13.81 +/- 5.63   0.028% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  18.18 +/- 6.03   0.004% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  28.25 +/- 1.65   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.77 +/- 1.05   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  23.29 +/- 4.99   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  22.86 +/- 4.76   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  23.64 +/- 5.92   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  23.39 +/- 3.33   0.000% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  28.01 +/- 6.23   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.13 +/- 2.90   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  28.11 +/- 5.57   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 33.6:
          HN    ILE   56 - HN    ALA   57   3.19 +/- 0.74  98.035% * 98.5675% (0.98   5.18  33.59) =  99.993%  kept
          HN    LEU   63 - HN    ALA   57   8.32 +/- 0.72   1.024% *  0.3586% (0.92   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HN    ALA   57  10.21 +/- 2.92   0.933% *  0.3484% (0.90   0.02   0.02) =   0.003%
          HN    ALA   84 - HN    ALA   57  20.24 +/- 1.03   0.003% *  0.3484% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  22.65 +/- 1.78   0.002% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.18 +/- 2.70   0.003% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.74 +/- 1.46   0.000% *  0.1891% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 3 structures by 0.31 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 3.68, residual support = 19.3:
        T HN    PHE   60 - HN    PHE   59   2.74 +/- 0.10  99.745% * 97.7864% (0.47 10.00   3.68  19.26) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.14 +/- 0.79   0.043% *  0.6051% (0.29 10.00   0.02  10.81) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.06 +/- 0.89   0.211% *  0.0282% (0.14  1.00   0.02   0.47) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.38 +/- 0.71   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.257, support = 4.81, residual support = 57.2:
      O   HA    PHE   59 - HN    PHE   59   2.77 +/- 0.03  77.150% * 86.5230% (0.24  10.0   4.98  58.77) =  95.931%  kept
          HA    ILE   56 - HN    PHE   59   3.66 +/- 0.71  22.818% * 12.4090% (0.69   1.0   0.99  20.73) =   4.069%  kept
          HA    ASP- 113 - HN    PHE   59  10.88 +/- 1.08   0.025% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.54 +/- 1.14   0.006% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.85 +/- 2.03   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.90 +/- 1.52   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  26.54 +/- 1.51   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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   2.65 +/- 0.21  99.921% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.41 +/- 1.25   0.044% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.93 +/- 1.27   0.029% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.56 +/- 1.51   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  19.43 +/- 1.96   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.98 +/- 1.95   0.000% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.91 +/- 1.39   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.76 +/- 1.22   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.20 +/- 1.84   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 33.5:
      O   HA    ILE   56 - HN    ALA   57   3.05 +/- 0.28  94.117% * 90.9348% (0.99  10.0   4.64  33.59) =  99.413%  kept
          HA    PRO   58 - HN    ALA   57   4.92 +/- 0.31   5.847% *  8.6482% (0.34   1.0   5.53  24.43) =   0.587%  kept
          HA    ASP- 113 - HN    ALA   57  12.12 +/- 0.93   0.028% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  16.89 +/- 1.05   0.004% *  0.0915% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.63 +/- 1.74   0.001% *  0.0823% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.71 +/- 1.05   0.002% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.67 +/- 1.47   0.001% *  0.0447% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.85 +/- 1.54   0.000% *  0.0899% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.68 +/- 1.30   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.73, residual support = 40.7:
        T HN    PHE   60 - HN    ALA   61   2.70 +/- 0.19  99.970% * 97.7864% (0.61 10.00   4.73  40.67) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.79 +/- 0.66   0.010% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.29 +/- 0.68   0.003% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.68 +/- 0.92   0.017% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.553, support = 4.61, residual support = 36.6:
          QD    PHE   60 - HN    ALA   61   3.40 +/- 0.61  80.732% * 49.7676% (0.57   4.77  40.67) =  89.970%  kept
          HN    PHE   59 - HN    ALA   61   4.53 +/- 0.34  17.166% * 24.6019% (0.41   3.25   0.31) =   9.457%  kept
          QE    PHE   59 - HN    ALA   61   7.27 +/- 0.87   1.002% * 25.1771% (0.80   1.71   0.31) =   0.565%  kept
          HN    LYS+  66 - HN    ALA   61   7.45 +/- 0.37   1.098% *  0.3615% (0.98   0.02   0.02) =   0.009%
          HN    LYS+  81 - HN    ALA   61  20.84 +/- 0.88   0.002% *  0.0919% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 0.748, residual support = 0.746:
          HA    PRO   58 - HN    ALA   61   3.47 +/- 0.26  97.931% * 86.4549% (0.97   0.75   0.75) =  99.976%  kept
          HA    ILE   56 - HN    ALA   61   7.34 +/- 0.76   1.474% *  0.9851% (0.41   0.02   0.02) =   0.017%
          HA    GLN   17 - HN    ALA   61   9.00 +/- 0.73   0.384% *  0.8993% (0.38   0.02   0.02) =   0.004%
          HA    THR   46 - HN    ALA   61  10.64 +/- 0.98   0.148% *  1.0743% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ALA   61  14.15 +/- 0.87   0.024% *  2.2667% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.27 +/- 1.44   0.024% *  1.2607% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.87 +/- 1.21   0.006% *  2.3962% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.18 +/- 1.27   0.003% *  2.2667% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  19.30 +/- 1.68   0.004% *  0.5975% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.91 +/- 1.28   0.001% *  0.8993% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.06 +/- 1.18   0.001% *  0.8993% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.99:
          HA    ALA   57 - HN    ALA   61   4.52 +/- 0.44  98.214% * 84.4573% (0.41   2.00   1.99) =  99.963%  kept
          HA    ASP-  44 - HN    ALA   61   9.74 +/- 0.97   1.534% *  1.7828% (0.87   0.02   0.02) =   0.033%
          HA1   GLY   51 - HN    ALA   61  15.43 +/- 0.85   0.072% *  1.4925% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  16.86 +/- 1.10   0.047% *  1.8973% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  19.09 +/- 1.44   0.022% *  2.0146% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  19.37 +/- 1.21   0.021% *  1.8433% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  19.42 +/- 1.17   0.020% *  1.7167% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.81 +/- 1.16   0.049% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  24.19 +/- 1.09   0.005% *  1.8973% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  25.87 +/- 1.69   0.004% *  1.7167% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  22.50 +/- 1.69   0.008% *  0.4576% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  25.20 +/- 1.59   0.004% *  0.4067% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.21 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   2.64 +/- 0.10  99.987% * 99.7221% (0.98 10.00   5.86  42.50) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  14.08 +/- 0.75   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.11 +/- 0.76   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.36 +/- 1.08   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  21.45 +/- 1.01   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.85, residual support = 54.6:
        T HN    ALA   64 - HN    LEU   63   2.78 +/- 0.10 100.000% *100.0000% (0.97 10.00   6.85  54.61) = 100.000%  kept
    Distance limit 3.36 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 = 28.2:
        T HN    LYS+  65 - HN    ALA   64   2.51 +/- 0.13 100.000% *100.0000% (0.97 10.00   4.70  28.16) = 100.000%  kept
    Distance limit 3.55 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 = 6.85, residual support = 54.6:
          HN    LEU   63 - HN    ALA   64   2.78 +/- 0.10  99.977% * 99.0082% (0.99   6.85  54.61) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.67 +/- 0.92   0.012% *  0.2760% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.60 +/- 2.76   0.008% *  0.1770% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  19.59 +/- 1.27   0.001% *  0.1770% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  20.82 +/- 4.28   0.001% *  0.1199% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  22.12 +/- 1.59   0.000% *  0.1770% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.51 +/- 1.10   0.000% *  0.0650% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 28.2:
        T HN    ALA   64 - HN    LYS+  65   2.51 +/- 0.13 100.000% *100.0000% (0.67 10.00   4.70  28.16) = 100.000%  kept
    Distance limit 3.43 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 = 6.15, residual support = 24.9:
          HN    LYS+  66 - HN    LYS+  65   2.52 +/- 0.16  99.528% * 99.3319% (0.68   6.15  24.90) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.79 +/- 0.80   0.352% *  0.1866% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.78 +/- 0.62   0.063% *  0.2639% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.88 +/- 0.26   0.057% *  0.1355% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.21 +/- 0.80   0.000% *  0.0822% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.99, residual support = 3.69:
          HA    ASP-  62 - HN    LYS+  65   3.30 +/- 0.20  99.986% * 96.1901% (0.67   0.99   3.69) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.64 +/- 1.04   0.010% *  1.4619% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  18.85 +/- 0.87   0.003% *  1.9954% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.56 +/- 1.23   0.000% *  0.3526% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 6.15, residual support = 24.9:
        T HN    LYS+  65 - HN    LYS+  66   2.52 +/- 0.16 100.000% *100.0000% (0.97 10.00   6.15  24.90) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 112.6:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.04  99.999% * 99.9389% (0.97  10.0   5.04 112.62) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  23.68 +/- 1.04   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  26.24 +/- 0.89   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 2.99, residual support = 51.9:
          HD22  ASN   28 - HE3   TRP   27   5.06 +/- 0.29  99.980% * 94.9550% (0.08   2.99  51.90) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.09 +/- 1.13   0.020% *  5.0450% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 6 structures by 0.64 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.83, residual support = 58.3:
      O   HA    LEU   67 - HN    LEU   67   2.85 +/- 0.20  99.934% * 99.9623% (1.00  10.0   5.83  58.26) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.58 +/- 1.26   0.062% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.29 +/- 1.38   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.26 +/- 0.57   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 10.6:
      O   HA    LYS+  66 - HN    LEU   67   3.51 +/- 0.09  99.932% * 99.9186% (0.97  10.0   4.45  10.60) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  14.13 +/- 2.75   0.046% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.49 +/- 1.44   0.015% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  21.68 +/- 0.97   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.75 +/- 1.09   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  26.37 +/- 1.04   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.2:
        T HN    VAL   70 - HN    ASN   69   2.57 +/- 0.60  99.996% * 99.9644% (0.87 10.00   5.26  26.23) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.75 +/- 1.22   0.004% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 59.6:
      O   HA    ASN   69 - HN    ASN   69   2.85 +/- 0.05  99.992% * 99.8231% (0.76  10.0   5.37  59.59) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.25 +/- 1.09   0.007% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.55 +/- 0.89   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 3.24, residual support = 59.6:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.24  59.59) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.97 +/- 1.60   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.00 +/- 1.07   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 = 3.24, residual support = 59.6:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 99.7566% (0.52  10.0   3.24  59.59) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.31 +/- 1.33   0.002% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  28.55 +/- 3.93   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  26.87 +/- 5.66   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.88, residual support = 39.1:
          QE    PHE   72 - HN    VAL   70   3.89 +/- 0.82  99.984% * 97.7279% (0.45   1.88  39.07) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.51 +/- 1.34   0.016% *  2.2721% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.2:
        T HN    ASN   69 - HN    VAL   70   2.57 +/- 0.60  99.986% * 99.9392% (0.87 10.00   5.26  26.23) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  14.22 +/- 1.32   0.011% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.31 +/- 1.30   0.002% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.07, residual support = 1.07:
          HA    PRO   68 - HN    VAL   70   3.85 +/- 0.53 100.000% *100.0000% (0.99   1.07   1.07) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.2:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.717% * 99.2525% (0.84  10.0   3.89  81.20) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   8.59 +/- 0.90   0.197% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70  10.44 +/- 1.29   0.068% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  14.93 +/- 1.49   0.007% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.30 +/- 2.53   0.005% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.42 +/- 1.27   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  17.12 +/- 1.29   0.003% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  24.25 +/- 0.85   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  27.41 +/- 2.31   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  24.65 +/- 1.61   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  28.87 +/- 2.35   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 139.0:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.835% * 99.9402% (1.00  10.0   6.64 139.01) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.74 +/- 0.66   0.150% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.72 +/- 0.43   0.014% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 32.5:
      O   HA    VAL   70 - HN    LEU   71   2.26 +/- 0.02  99.688% * 99.5202% (1.00  10.0   5.33  32.52) = 100.000%  kept
          HA1   GLY   16 - HN    LEU   71   8.71 +/- 2.01   0.219% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.53 +/- 0.57   0.038% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   8.32 +/- 0.69   0.047% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  11.74 +/- 0.93   0.006% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.73 +/- 0.93   0.001% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.52 +/- 2.45   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  24.12 +/- 2.81   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.99 +/- 0.70   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.3, residual support = 4.37:
          HA    VAL   41 - HN    LEU   71   4.52 +/- 0.70  98.853% * 98.7946% (1.00   2.30   4.37) =  99.992%  kept
          HA    HIS  122 - HN    LEU   71  12.08 +/- 3.78   1.031% *  0.7184% (0.84   0.02   0.02) =   0.008%
          HA    PHE   45 - HN    LEU   71  14.73 +/- 0.51   0.116% *  0.4870% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 9 structures by 0.64 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.05, residual support = 5.31:
          HN    VAL   42 - HN    LEU   71   4.39 +/- 0.36  92.043% * 84.0301% (0.61   3.07   5.37) =  98.842%  kept
          HN    LEU   73 - HN    LEU   71   7.04 +/- 0.17   5.884% * 15.0865% (0.61   0.55   0.02) =   1.134%  kept
          HN    ILE   19 - HN    LEU   71   8.39 +/- 0.50   2.073% *  0.8834% (0.98   0.02   0.02) =   0.023%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.43, residual support = 89.2:
          QD    PHE   72 - HN    PHE   72   2.86 +/- 0.44  99.889% * 98.8841% (0.45   5.43  89.21) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72  10.07 +/- 0.44   0.073% *  0.5901% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.17 +/- 0.47   0.038% *  0.5257% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.14, residual support = 89.2:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.14  89.21) = 100.000%  kept
    Distance limit 4.17 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 = 5.43, residual support = 20.2:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.02  99.901% * 99.9402% (1.00  10.0   5.43  20.18) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.51 +/- 0.67   0.073% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.76 +/- 0.55   0.026% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.505, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.88 +/- 0.91  20.419% * 29.8815% (0.73   0.02   0.02) =  45.791%  kept
          HA    PHE   45 - HN    PHE   72  12.36 +/- 0.55  60.264% *  7.2068% (0.18   0.02   0.02) =  32.594%  kept
          HA    ASP-  78 - HN    PHE   72  20.72 +/- 0.30   2.744% * 39.7133% (0.97   0.02   0.02) =   8.177%  kept
          HB    THR   23 - HN    PHE   72  16.49 +/- 0.89  10.986% *  9.1616% (0.22   0.02   0.02) =   7.554%  kept
          HA    LEU   80 - HN    PHE   72  18.79 +/- 1.70   5.587% * 14.0368% (0.34   0.02   0.02) =   5.885%  kept
    Distance limit 4.39 A violated in 20 structures by 6.95 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 1.27, residual support = 2.02:
          QE    PHE   60 - HN    LEU   73   5.33 +/- 1.74  89.601% * 79.8693% (0.49   1.28   2.05) =  98.649%  kept
          HN    LEU   63 - HN    LEU   73   9.94 +/- 0.56   6.147% * 14.2821% (0.41   0.27   0.02) =   1.210%  kept
          HD21  ASN   28 - HN    LEU   73  11.63 +/- 1.27   2.120% *  2.5144% (0.98   0.02   0.85) =   0.073%
          HZ2   TRP   87 - HN    LEU   73  13.94 +/- 4.99   1.810% *  2.5425% (0.99   0.02   0.02) =   0.063%
          HN    ILE   56 - HN    LEU   73  15.42 +/- 1.06   0.322% *  0.7917% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.50 A violated in 8 structures by 1.10 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.39, residual support = 170.2:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95  10.0   6.39 170.23) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.16, residual support = 39.9:
      O   HA    PHE   72 - HN    LEU   73   2.24 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.16  39.85) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.534, support = 3.66, residual support = 7.64:
          HA    VAL   43 - HN    LEU   73   3.48 +/- 0.75  92.065% * 69.2284% (0.53   3.73   7.84) =  97.410%  kept
          HA    LEU   71 - HN    LEU   73   6.04 +/- 0.16   5.578% * 30.3406% (0.84   1.03   0.02) =   2.586%  kept
          HA    ALA   20 - HN    LEU   73   7.18 +/- 0.44   2.172% *  0.0954% (0.14   0.02   0.02) =   0.003%
          HA    ASN   69 - HN    LEU   73  12.03 +/- 0.25   0.086% *  0.1960% (0.28   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.74 +/- 0.48   0.099% *  0.1395% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.93, residual support = 9.76:
        T HN    CYS   21 - HN    LYS+  74   2.86 +/- 0.33  99.987% * 95.8247% (0.12 10.00   3.93   9.76) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.22 +/- 1.35   0.002% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.40 +/- 0.64   0.004% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  16.54 +/- 2.20   0.004% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.03 +/- 0.55   0.003% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.566, support = 4.06, residual support = 16.9:
        T HN    ILE   19 - HN    LYS+  74   4.48 +/- 0.78  50.527% * 72.8356% (0.54 10.00   3.25   8.28) =  73.765%  kept
          HN    LEU   73 - HN    LYS+  74   4.45 +/- 0.05  48.366% * 27.0601% (0.64  1.00   6.33  40.97) =  26.233%  kept
          HN    VAL   42 - HN    LYS+  74   8.51 +/- 0.63   1.092% *  0.0855% (0.64  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HN    LYS+  74  17.27 +/- 0.97   0.015% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.64, residual support = 41.0:
      O   HA    LEU   73 - HN    LYS+  74   2.39 +/- 0.13 100.000% *100.0000% (0.68  10.0   5.64  40.97) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.11, residual support = 187.9:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.00  99.922% * 99.4309% (0.20  10.0   6.11 187.88) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74  10.00 +/- 0.76   0.072% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.48 +/- 0.87   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.10 +/- 2.31   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.73, residual support = 8.19:
          HA    ALA   20 - HN    LYS+  74   3.12 +/- 0.50  99.731% * 99.7086% (0.68   3.73   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.98 +/- 0.23   0.269% *  0.2914% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.04, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.22 +/- 0.04  99.993% * 99.7992% (0.61  10.0   6.04  31.88) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.26 +/- 0.89   0.007% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.66 +/- 2.01   0.000% *  0.0366% (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 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.76, residual support = 36.2:
      O   HA    ASP-  76 - HN    ASP-  76   2.86 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.76  36.19) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.93 +/- 0.98   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 18.9:
      O   HA    VAL  107 - HN    VAL  108   2.21 +/- 0.02  99.921% * 99.5919% (0.65  10.0   3.97  18.93) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   8.02 +/- 1.00   0.062% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  12.94 +/- 2.38   0.014% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.41 +/- 1.28   0.002% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.98 +/- 1.61   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 5.32, residual support = 28.1:
        T HN    ASP-  78 - HN    THR   77   2.68 +/- 0.10  98.834% * 99.9203% (0.98 10.00   5.32  28.13) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.71 +/- 0.33   1.164% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.83 +/- 3.00   0.002% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.32, residual support = 28.1:
        T HN    THR   77 - HN    ASP-  78   2.68 +/- 0.10 100.000% *100.0000% (1.00 10.00   5.32  28.13) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.79, residual support = 16.1:
        T HN    GLU-  79 - HN    ASP-  78   2.40 +/- 0.10  99.983% * 99.9158% (0.99 10.00   3.79  16.14) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.91 +/- 1.27   0.017% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.79, residual support = 16.1:
        T HN    ASP-  78 - HN    GLU-  79   2.40 +/- 0.10  99.934% * 99.9001% (0.56 10.00   3.79  16.14) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.19 +/- 0.25   0.066% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 4.29, residual support = 54.7:
      O   HA    GLU-  79 - HN    GLU-  79   2.81 +/- 0.16  98.376% * 99.4285% (0.60  10.0   4.29  54.69) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.70 +/- 0.28   1.583% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.67 +/- 0.42   0.021% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.84 +/- 0.67   0.012% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  16.02 +/- 1.96   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.28 +/- 1.33   0.004% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  22.99 +/- 1.62   0.000% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.34 +/- 0.69   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  29.93 +/- 4.25   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.81, residual support = 16.1:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.04  99.424% * 98.7485% (0.08  10.0   3.81  16.14) =  99.996%  kept
          HA    PHE   45 - HN    GLU-  79   8.62 +/- 0.64   0.571% *  0.7232% (0.60   1.0   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    GLU-  79  19.09 +/- 0.63   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.49 +/- 1.92   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.9:
      O   HA    ASP-  76 - HN    THR   77   2.29 +/- 0.03 100.000% * 99.8354% (0.53  10.0   4.53  10.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.43 +/- 0.96   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.985, residual support = 3.29:
          HA    ALA   47 - HN    THR   77   4.59 +/- 1.64  94.417% * 86.6939% (0.57   0.99   3.30) =  99.826%  kept
          HA    CYS   50 - HN    THR   77   9.76 +/- 1.28   2.137% *  3.0409% (0.98   0.02   0.02) =   0.079%
          HA    CYS   21 - HN    THR   77  12.00 +/- 0.67   1.928% *  2.1310% (0.69   0.02   0.02) =   0.050%
          HA    TRP   49 - HN    THR   77  10.35 +/- 1.51   1.045% *  2.6911% (0.87   0.02   0.02) =   0.034%
          HA    VAL  108 - HN    THR   77  13.97 +/- 1.50   0.300% *  1.3909% (0.45   0.02   0.02) =   0.005%
          HA1   GLY  109 - HN    THR   77  15.86 +/- 2.52   0.126% *  2.9940% (0.97   0.02   0.02) =   0.005%
          HA    LYS+ 102 - HN    THR   77  23.12 +/- 1.89   0.047% *  1.0582% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 2 structures by 0.60 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.391, support = 0.0198, residual support = 6.46:
          HA    THR   46 - HN    THR   77   5.67 +/- 0.99  84.536% *  6.4690% (0.25   0.02   9.72) =  66.464%  kept
          HA    GLN   90 - HN    THR   77   8.25 +/- 0.99  14.593% * 17.8206% (0.69   0.02   0.02) =  31.606%  kept
          HA    VAL   42 - HN    THR   77  14.90 +/- 0.58   0.328% * 22.5039% (0.87   0.02   0.02) =   0.897%  kept
          HA    PHE   55 - HN    THR   77  16.25 +/- 1.82   0.170% * 22.5039% (0.87   0.02   0.02) =   0.465%
          HA    ALA  110 - HN    THR   77  16.01 +/- 3.12   0.252% * 14.6879% (0.57   0.02   0.02) =   0.449%
          HA    GLN   17 - HN    THR   77  18.16 +/- 0.89   0.110% *  8.0073% (0.31   0.02   0.02) =   0.107%
          HA    SER   37 - HN    THR   77  26.60 +/- 0.74   0.011% *  8.0073% (0.31   0.02   0.02) =   0.010%
    Distance limit 4.29 A violated in 15 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.03, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  97.842% * 99.1602% (0.76  10.0   4.03  37.75) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.90 +/- 0.31   1.698% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.32 +/- 0.68   0.298% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.45 +/- 1.17   0.089% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.53 +/- 1.17   0.032% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  13.51 +/- 1.25   0.033% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  20.05 +/- 1.58   0.003% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  22.76 +/- 1.71   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.61 +/- 1.36   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  27.68 +/- 3.14   0.001% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  30.25 +/- 3.59   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.50 +/- 0.54   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 5.17, residual support = 30.5:
        T HN    LEU   80 - HN    LYS+  81   3.52 +/- 0.17  97.031% * 98.5772% (0.65 10.00   5.17  30.55) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.37 +/- 0.34   2.949% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  21.49 +/- 2.07   0.002% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.10 +/- 1.85   0.013% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  19.00 +/- 2.12   0.005% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 4.21, residual support = 18.4:
        T HN    SER   82 - HN    LYS+  81   2.71 +/- 0.12  99.963% * 99.8569% (1.00 10.00   4.21  18.35) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.42 +/- 0.75   0.036% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  25.17 +/- 1.23   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  25.24 +/- 2.85   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  28.44 +/- 2.00   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.2, residual support = 30.5:
      O   HA    LEU   80 - HN    LYS+  81   2.65 +/- 0.09  97.053% * 99.6041% (0.69  10.0   5.20  30.55) =  99.996%  kept
          HA    ASP-  78 - HN    LYS+  81   5.12 +/- 0.47   2.363% *  0.1372% (0.95   1.0   0.02   0.94) =   0.003%
          HA    THR   23 - HN    LYS+  81   7.39 +/- 1.35   0.302% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   7.97 +/- 1.87   0.283% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  25.49 +/- 2.18   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.3, residual support = 107.1:
      O   HA    LYS+  81 - HN    LYS+  81   2.76 +/- 0.04  99.992% * 99.7055% (0.99  10.0   5.30 107.05) = 100.000%  kept
          HA    ARG+  54 - HN    LYS+  81  19.15 +/- 2.94   0.002% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  14.78 +/- 2.05   0.006% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  27.76 +/- 2.21   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  24.42 +/- 1.77   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  35.35 +/- 2.47   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.2, residual support = 34.9:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  99.952% * 98.7108% (0.25  10.0   4.20  34.86) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  11.20 +/- 2.47   0.038% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  14.20 +/- 2.15   0.007% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.23 +/- 1.55   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  19.04 +/- 1.59   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  28.23 +/- 2.30   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   8.67 +/- 2.21  99.710% * 32.4951% (0.20   0.02   0.02) =  99.400%  kept
          HA    ASP- 105 - HN    SER   82  25.54 +/- 2.84   0.290% * 67.5049% (0.41   0.02   0.02) =   0.600%  kept
    Distance limit 4.27 A violated in 19 structures by 4.40 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 20.1:
        T HN    VAL   83 - HN    SER   82   2.68 +/- 0.12  99.995% * 99.9274% (1.00 10.00   5.62  20.09) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.01 +/- 2.29   0.005% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.21, residual support = 18.4:
          HN    LYS+  81 - HN    SER   82   2.71 +/- 0.12  99.981% * 99.2874% (1.00   4.21  18.35) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  13.50 +/- 3.44   0.017% *  0.1053% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.37 +/- 0.74   0.002% *  0.3786% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.54 +/- 1.96   0.000% *  0.0828% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.42 +/- 1.23   0.000% *  0.1459% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 41.8:
        T HN    ALA   84 - HN    VAL   83   2.57 +/- 0.08  99.998% * 99.6823% (0.75 10.00   7.60  41.81) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  19.75 +/- 3.93   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.38 +/- 1.51   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  23.14 +/- 2.10   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.37 +/- 1.45   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 20.1:
        T HN    SER   82 - HN    VAL   83   2.68 +/- 0.12  99.961% * 99.8569% (0.75 10.00   5.62  20.09) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.15 +/- 0.72   0.038% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  22.27 +/- 4.14   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  24.94 +/- 2.52   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  27.79 +/- 2.18   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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   2.74 +/- 0.09  99.981% * 99.8725% (0.99 10.00   3.77  20.73) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  12.50 +/- 1.70   0.016% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  18.20 +/- 3.07   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  20.61 +/- 3.11   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.6, residual support = 41.8:
        T HN    VAL   83 - HN    ALA   84   2.57 +/- 0.08  99.989% * 99.9274% (1.00 10.00   7.60  41.81) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.19 +/- 1.92   0.011% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 2.27, residual support = 5.56:
          HA    LYS+  81 - HN    ALA   84   3.24 +/- 0.25  99.967% * 95.7073% (0.80   2.27   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  13.80 +/- 2.91   0.025% *  0.5136% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.28 +/- 2.30   0.005% *  1.0182% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  22.45 +/- 1.87   0.001% *  0.4730% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  22.50 +/- 3.05   0.001% *  0.3256% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  26.83 +/- 3.26   0.000% *  0.7247% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  22.75 +/- 4.37   0.001% *  0.1848% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  33.87 +/- 2.87   0.000% *  1.0527% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.426, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83  10.37 +/- 2.44  74.280% * 13.1508% (0.34   0.02   0.02) =  63.602%  kept
          HA    THR   26 - HN    VAL   83  13.32 +/- 2.33  15.429% * 21.2999% (0.55   0.02   0.02) =  21.398%  kept
          HA    CYS   53 - HN    VAL   83  18.55 +/- 1.31   6.153% * 27.0775% (0.70   0.02   0.02) =  10.847%  kept
          HA    ILE   19 - HN    VAL   83  18.19 +/- 2.12   2.479% * 20.1488% (0.52   0.02   0.02) =   3.252%  kept
          HA1   GLY  101 - HN    VAL   83  22.37 +/- 4.72   1.200% *  7.3142% (0.19   0.02   0.02) =   0.572%  kept
          HA    GLU- 114 - HN    VAL   83  26.59 +/- 2.47   0.459% * 11.0089% (0.28   0.02   0.02) =   0.329%
    Distance limit 4.26 A violated in 20 structures by 5.47 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.2:
        T HN    SER   85 - HN    VAL   83   4.27 +/- 0.10  80.812% * 99.5391% (0.58 10.00   2.60   5.20) =  99.989%  kept
          HN    LEU   80 - HN    VAL   83   5.46 +/- 0.23  19.121% *  0.0444% (0.26  1.00   0.02   0.02) =   0.011%
          HN    GLN   32 - HN    VAL   83  16.67 +/- 3.49   0.038% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.33 +/- 1.40   0.015% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  19.39 +/- 3.51   0.014% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.35, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.79 +/- 0.10  98.189% * 99.2521% (0.87   4.35  11.04) =  99.993%  kept
          HN    GLN   90 - HN    ALA   84   7.63 +/- 0.75   1.806% *  0.3610% (0.69   0.02   0.02) =   0.007%
          HN    ILE  103 - HN    ALA   84  22.04 +/- 3.83   0.004% *  0.2558% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  25.38 +/- 2.26   0.001% *  0.1311% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 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   2.51 +/- 0.14  99.997% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  17.91 +/- 2.95   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  16.93 +/- 2.78   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  23.95 +/- 3.39   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  27.10 +/- 3.37   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  30.46 +/- 3.39   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.35 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   2.74 +/- 0.09  99.842% * 97.8189% (0.90   3.77  20.73) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.51 +/- 0.82   0.132% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  12.47 +/- 3.36   0.024% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.33 +/- 1.59   0.000% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  22.32 +/- 1.86   0.000% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  23.05 +/- 4.02   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  24.82 +/- 1.24   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.2:
        T HN    VAL   83 - HN    SER   85   4.27 +/- 0.10  99.885% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.43 +/- 1.99   0.115% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.15 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.80 +/- 0.04  96.399% * 99.3023% (0.99  10.0   3.65  18.14) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.97 +/- 0.12   3.193% *  0.0449% (0.45   1.0   0.02  13.43) =   0.001%
          HB    THR   77 - HN    SER   85   7.66 +/- 1.54   0.354% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.00 +/- 0.35   0.048% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  15.50 +/- 2.11   0.004% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.41 +/- 2.01   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  22.03 +/- 3.69   0.001% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.99 +/- 1.09   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  27.43 +/- 3.13   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.92 +/- 5.06   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.66 +/- 2.77   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.80 +/- 4.31   0.000% *  0.0488% (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 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.561, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  17.29 +/- 2.22  11.201% * 23.1039% (0.98   0.02   0.02) =  30.526%  kept
          HA    CYS   53 - HN    SER   85  18.30 +/- 1.55  13.269% * 14.2963% (0.61   0.02   0.02) =  22.375%  kept
          HA    GLU-  25 - HN    SER   85  14.15 +/- 2.35  40.065% *  4.1279% (0.18   0.02   0.02) =  19.508%  kept
          HA    ASN   28 - HN    SER   85  15.52 +/- 3.25  25.562% *  5.2476% (0.22   0.02   0.02) =  15.822%  kept
          HA1   GLY  101 - HN    SER   85  23.91 +/- 4.57   2.326% * 13.3446% (0.57   0.02   0.02) =   3.662%  kept
          HA    ILE   19 - HN    SER   85  21.45 +/- 1.87   2.994% *  8.0401% (0.34   0.02   0.02) =   2.840%  kept
          HA    GLU- 114 - HN    SER   85  26.12 +/- 2.31   1.193% * 17.1158% (0.73   0.02   0.02) =   2.409%  kept
          HA    ALA   34 - HN    SER   85  24.43 +/- 3.29   1.454% *  8.8463% (0.38   0.02   0.02) =   1.517%  kept
          HA    LEU  115 - HN    SER   85  23.90 +/- 1.84   1.936% *  5.8774% (0.25   0.02   0.02) =   1.342%  kept
    Distance limit 3.82 A violated in 20 structures by 8.08 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   2.51 +/- 0.14  99.993% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  13.96 +/- 1.90   0.005% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  18.73 +/- 3.91   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  21.34 +/- 3.92   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.77 +/- 0.08  99.547% * 98.7385% (0.95   3.69  22.55) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.85 +/- 0.49   0.452% *  0.1746% (0.31   0.02  22.55) =   0.001%
          HN    GLN   17 - HN    ASP-  86  26.51 +/- 2.59   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  29.43 +/- 3.58   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.02  81.153% * 84.6024% (0.87  10.0   4.05  41.92) =  96.360%  kept
      O   HA    SER   85 - HN    ASP-  86   3.52 +/- 0.03  17.234% * 15.0488% (0.15  10.0   3.27  13.43) =   3.640%  kept
          HA    TRP   87 - HN    ASP-  86   5.28 +/- 0.03   1.525% *  0.0271% (0.28   1.0   0.02  22.55) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.02 +/- 1.37   0.084% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  15.17 +/- 2.57   0.004% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  23.74 +/- 4.32   0.000% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  29.58 +/- 3.19   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.63 +/- 4.61   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  35.76 +/- 5.35   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.77 +/- 0.08  99.994% * 98.4310% (1.00   3.69  22.55) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  17.65 +/- 3.31   0.002% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  17.07 +/- 2.96   0.002% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  21.03 +/- 4.20   0.001% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  24.99 +/- 4.17   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  30.33 +/- 4.13   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.849, support = 4.1, residual support = 70.5:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.747% * 78.1363% (0.90  10.0   4.16  74.34) =  92.629%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.62 +/- 0.01  22.251% * 21.7248% (0.25  10.0   3.39  22.55) =   7.371%  kept
          HA    LEU  104 - HN    TRP   87  21.90 +/- 4.50   0.001% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  23.86 +/- 1.88   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  29.64 +/- 3.52   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  33.93 +/- 4.81   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.86, residual support = 74.3:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.685% * 98.5158% (0.28  10.0   1.86  74.34) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2772% (0.73   1.0   0.02  74.34) =   0.003%
          HN    ALA   91 - HE1   TRP   87   9.90 +/- 1.04   0.052% *  0.3784% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HE1   TRP   87  11.54 +/- 3.57   0.035% *  0.3424% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  19.67 +/- 3.01   0.001% *  0.3684% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  21.77 +/- 4.68   0.001% *  0.1178% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.798, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87   8.73 +/- 5.06  97.928% * 80.1831% (0.80   0.02   0.02) =  99.480%  kept
          HZ    PHE   72 - HE1   TRP   87  19.98 +/- 4.25   2.072% * 19.8169% (0.20   0.02   0.02) =   0.520%  kept
    Distance limit 4.19 A violated in 18 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.283, support = 3.07, residual support = 5.25:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.10  24.967% * 95.2913% (0.28  10.0   3.10   5.31) =  98.962%  kept
          HA    ASP-  86 - HN    ALA   88   4.17 +/- 0.14   6.040% *  3.5255% (0.87   1.0   0.24   0.02) =   0.886%  kept
          HA    SER   85 - HN    ALA   88   2.77 +/- 0.07  68.890% *  0.0529% (0.15   1.0   0.02   0.02) =   0.152%
          HB    THR   77 - HN    ALA   88   8.84 +/- 1.57   0.099% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  15.04 +/- 2.61   0.004% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  23.18 +/- 4.18   0.000% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  31.21 +/- 3.24   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  35.58 +/- 4.54   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  37.91 +/- 5.20   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.88, residual support = 20.3:
          HA    TRP   87 - HN    ILE   89   4.28 +/- 0.27  91.028% * 76.4306% (0.61   0.89  20.80) =  97.810%  kept
          HA    ASP-  86 - HN    ILE   89   6.44 +/- 0.25   8.958% * 17.3878% (0.53   0.23   0.02) =   2.190%  kept
          HA    LEU  104 - HN    ILE   89  22.03 +/- 3.70   0.008% *  2.6658% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  22.47 +/- 1.79   0.005% *  0.4348% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  29.99 +/- 3.19   0.001% *  1.7093% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  34.61 +/- 4.42   0.000% *  1.3717% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.0:
          HN    ALA   91 - HN    GLN   90   2.84 +/- 0.34  99.938% * 99.1370% (0.92   6.75  31.96) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.18 +/- 0.47   0.058% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  17.59 +/- 1.52   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.80 +/- 1.80   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  26.15 +/- 1.92   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.348, support = 5.46, residual support = 94.7:
      O   HA    GLN   90 - HN    GLN   90   2.52 +/- 0.31  97.035% * 68.5369% (0.34  10.0   5.49  95.61) =  98.639%  kept
          HA    ALA   91 - HN    GLN   90   5.05 +/- 0.46   2.958% * 31.0093% (0.87   1.0   3.56  31.96) =   1.361%  kept
          HA    VAL  107 - HN    GLN   90  16.82 +/- 1.20   0.002% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  15.64 +/- 2.00   0.003% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  17.98 +/- 1.87   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.41 +/- 2.01   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.61) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  30.01 +/- 3.23   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  30.70 +/- 2.26   0.000% *  0.0441% (0.41   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 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.983% * 99.4024% (0.76  10.0   1.00  95.61) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.44 +/- 0.88   0.010% *  0.0646% (0.25   1.0   0.02   5.78) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  10.92 +/- 2.60   0.006% *  0.0401% (0.15   1.0   0.02   0.59) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  15.22 +/- 1.93   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.36 +/- 1.75   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  25.51 +/- 2.45   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  30.46 +/- 2.76   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  30.01 +/- 3.23   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  29.39 +/- 2.73   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.37 +/- 1.40   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  30.68 +/- 2.05   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.97 +/- 2.98   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.84 +/- 0.34  99.884% * 99.6698% (0.95 10.00   6.75  31.96) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  11.51 +/- 2.18   0.043% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.27 +/- 0.97   0.023% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.59 +/- 1.52   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.57 +/- 2.55   0.044% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.94 +/- 2.27   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.59 +/- 2.05   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.39 +/- 1.69   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.139, support = 0.02, residual support = 18.0:
          HA    LEU   73 - HN    TRP   27   8.49 +/- 1.03  98.570% * 10.9973% (0.08   0.02  20.11) =  89.496%  kept
          HA    LEU   73 - HN    ALA   91  17.90 +/- 1.19   1.430% * 89.0027% (0.65   0.02   0.02) =  10.504%  kept
    Distance limit 4.38 A violated in 20 structures by 4.09 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.877, support = 3.38, residual support = 26.6:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  42.360% * 89.2967% (1.00  10.0   3.12  14.59) =  86.255%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  57.620% * 10.4606% (0.12  10.0   4.99 101.93) =  13.745%  kept
          HA    PRO   52 - HN    ALA   91  12.42 +/- 1.99   0.010% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.40 +/- 0.90   0.002% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  13.97 +/- 1.99   0.005% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.14 +/- 1.20   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.68 +/- 1.83   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.42 +/- 1.37   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.14 +/- 1.14   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.82 +/- 2.96   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.22 +/- 0.37  98.994% * 98.2287% (0.99   3.55  14.21) =  99.998%  kept
          HD1   TRP   87 - HN    MET   92   9.96 +/- 1.80   0.793% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    MET   92  12.94 +/- 1.60   0.151% *  0.4052% (0.73   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    MET   92  16.14 +/- 1.90   0.046% *  0.5385% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  18.72 +/- 1.85   0.014% *  0.5004% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.75 +/- 1.26   0.002% *  0.1722% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.1:
      O   HA    MET   92 - HN    MET   92   2.82 +/- 0.05  99.635% * 99.1845% (0.25  10.0   4.52  64.10) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   8.60 +/- 1.79   0.364% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  19.91 +/- 1.24   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.49 +/- 1.80   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.46 +/- 0.19  99.928% * 99.6892% (0.80  10.0   3.55  14.21) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.16 +/- 1.79   0.047% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.38 +/- 0.93   0.007% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.48 +/- 2.58   0.017% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.41 +/- 1.70   0.001% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 3.43, residual support = 27.7:
        T HN    PHE   45 - HN    THR   94   2.88 +/- 0.62  98.835% * 99.8946% (0.95 10.00   3.43  27.71) =  99.999%  kept
          HN    ALA  110 - HN    THR   94   8.46 +/- 2.47   1.165% *  0.1054% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 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   8.70 +/- 0.83 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 4.40 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   2.19 +/- 0.06  99.977% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.34 +/- 1.03   0.023% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.13 +/- 0.19  87.013% * 54.6147% (1.00   0.02   0.02) =  91.743%  kept
          HA    LYS+  74 - HN    THR   94   8.56 +/- 0.51  12.822% * 33.1992% (0.61   0.02   0.02) =   8.218%  kept
          HA    HIS  122 - HN    THR   94  17.92 +/- 1.88   0.165% * 12.1862% (0.22   0.02   0.02) =   0.039%
    Distance limit 3.73 A violated in 20 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.5:
          HN    VAL  107 - HN    PHE   95   3.49 +/- 1.14  99.763% * 99.0525% (0.97   2.00  45.49) =  99.998%  kept
          HN    GLY   51 - HN    PHE   95  14.69 +/- 2.10   0.237% *  0.9475% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 2 structures by 0.25 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.87, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.18 +/- 0.62  99.302% * 99.3385% (0.87   3.87  73.54) =  99.998%  kept
          HN    ALA   47 - HN    PHE   95  10.79 +/- 1.16   0.253% *  0.5138% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95   9.41 +/- 1.61   0.445% *  0.1477% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.54) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.9:
      O   HA    THR   94 - HN    PHE   95   2.30 +/- 0.14  99.965% * 99.8515% (0.65  10.0   3.16  14.87) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.58 +/- 0.51   0.013% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.44 +/- 0.14   0.022% *  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 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   2.21 +/- 0.04 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.09 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  99.585% * 99.9800% (0.94  10.0   4.09 115.52) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.50 +/- 0.73   0.415% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 56.1:
        T HN    ASP- 105 - HN    PHE   97   3.65 +/- 0.88  99.981% * 99.9802% (1.00 10.00   4.34  56.05) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  18.37 +/- 3.43   0.019% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 2 structures by 0.17 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   3.42 +/- 0.74  99.820% * 98.9914% (0.80   4.09  62.58) =  99.999%  kept
          HZ3   TRP   87 - HN    PHE   97  14.44 +/- 6.20   0.176% *  0.5245% (0.87   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    PHE   97  22.49 +/- 2.80   0.003% *  0.4841% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.25 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.97, residual support = 10.8:
          HA    LYS+ 106 - HN    PHE   97   4.00 +/- 1.11 100.000% *100.0000% (0.98   2.97  10.82) = 100.000%  kept
    Distance limit 4.28 A violated in 3 structures by 0.35 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   2.27 +/- 0.08  99.981% * 99.9800% (0.99  10.0   6.07  45.54) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.60 +/- 0.51   0.019% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.05, residual support = 26.7:
        T HN    VAL   41 - HN    LEU   98   3.76 +/- 1.17 100.000% *100.0000% (0.69 10.00   5.05  26.65) = 100.000%  kept
    Distance limit 3.92 A violated in 1 structures by 0.25 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 82.9:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.21  82.87) = 100.000%  kept
    Distance limit 4.13 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   2.22 +/- 0.10 100.000% *100.0000% (0.98  10.0   3.47  11.01) = 100.000%  kept
    Distance limit 3.09 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 = 1.28, residual support = 3.51:
          HA    VAL   42 - HN    LEU   98   3.53 +/- 1.11  85.342% * 25.6541% (0.45   0.92   0.62) =  69.028%  kept
          HA    LEU   40 - HN    LEU   98   5.33 +/- 0.83  14.427% * 68.0741% (0.53   2.09   9.97) =  30.964%  kept
          HA    GLN   17 - HN    LEU   98  15.86 +/- 1.06   0.073% *  1.1961% (0.97   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    LEU   98  15.45 +/- 1.14   0.067% *  0.9000% (0.73   0.02   0.02) =   0.002%
          HA    SER   37 - HN    LEU   98  14.55 +/- 0.75   0.045% *  1.1961% (0.97   0.02   0.02) =   0.002%
          HA    THR   46 - HN    LEU   98  16.22 +/- 1.12   0.019% *  1.2284% (0.99   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   98  18.48 +/- 1.59   0.016% *  0.8513% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.46 +/- 1.53   0.011% *  0.9000% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 1 structures by 0.13 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 0.96, residual support = 1.92:
          HN    LYS+ 102 - HN    LYS+  99   2.74 +/- 0.75  98.423% * 70.0177% (0.95   0.97   1.93) =  99.524%  kept
          HN    ASP- 105 - HN    LYS+  99   6.87 +/- 0.83   1.205% * 27.2748% (0.18   2.03   0.02) =   0.475%
          HN    THR   39 - HN    LYS+  99   9.91 +/- 0.35   0.111% *  0.5757% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  13.08 +/- 0.79   0.022% *  1.2283% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.38 +/- 0.32   0.166% *  0.0807% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.32 +/- 0.44   0.054% *  0.0378% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  19.70 +/- 4.18   0.003% *  0.6306% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  16.35 +/- 3.26   0.010% *  0.0414% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  16.28 +/- 2.28   0.003% *  0.0953% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.62 +/- 1.28   0.003% *  0.0176% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 18.5:
      O   HA    LEU   98 - HN    LYS+  99   2.29 +/- 0.10  99.999% * 99.9934% (0.99  10.0   4.37  18.51) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.93 +/- 1.10   0.001% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.21, residual support = 173.1:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  99.874% * 99.5300% (0.80  10.0   5.21 173.09) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99  10.14 +/- 0.98   0.066% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  17.89 +/- 5.16   0.006% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.79 +/- 0.33   0.039% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.28 +/- 1.90   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.66 +/- 1.31   0.000% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.43 +/- 1.79   0.008% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.66 +/- 1.89   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  20.64 +/- 4.97   0.001% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.39 +/- 1.30   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  19.26 +/- 3.70   0.002% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.58 +/- 1.69   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.81 +/- 4.50   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.75 +/- 1.20   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.08 +/- 0.53  92.395% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.71 +/- 1.80   7.605% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 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 = 40.0:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.05  78.495% * 99.5956% (0.99  10.0   6.83  39.97) =  99.994%  kept
          HA    LEU   40 - HN    GLU- 100   3.70 +/- 2.04  21.381% *  0.0199% (0.20   1.0   0.02   0.02) =   0.005%
          HA    ASN   35 - HN    GLU- 100   7.10 +/- 2.01   0.123% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  19.06 +/- 5.92   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.87 +/- 2.15   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.05 +/- 2.16   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.49 +/- 1.62   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.12, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.36 +/- 0.65  99.867% * 98.8211% (0.95   3.12  12.49) = 100.000%  kept
          HN    THR   39 - HN    GLY  101   9.15 +/- 1.69   0.073% *  0.2511% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  11.57 +/- 2.05   0.017% *  0.5357% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.90 +/- 0.75   0.043% *  0.1172% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  20.97 +/- 4.25   0.001% *  0.2750% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.965, residual support = 1.93:
          HN    LYS+  99 - HN    LYS+ 102   2.74 +/- 0.75  99.948% * 95.2038% (0.98   0.97   1.93) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  15.96 +/- 4.46   0.022% *  1.9041% (0.95   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    LYS+ 102  11.77 +/- 1.83   0.024% *  0.3106% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  16.28 +/- 2.28   0.003% *  0.5019% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.31 +/- 2.52   0.001% *  1.6813% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  23.02 +/- 4.41   0.001% *  0.3983% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.36 +/- 0.65  99.951% * 99.9864% (1.00 10.00   3.12  12.49) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.36 +/- 1.37   0.049% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.08 +/- 0.53 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   3.85 +/- 0.58  86.684% * 88.5189% (0.99   1.43   1.41) =  98.950%  kept
          HA    LEU   40 - HN    GLY  101   5.98 +/- 1.84  11.908% *  6.7003% (0.20   0.54   0.02) =   1.029%  kept
          HA    ASN   35 - HN    GLY  101   8.40 +/- 2.07   1.388% *  1.1534% (0.92   0.02   0.02) =   0.021%
          HA    LEU  123 - HN    GLY  101  20.28 +/- 5.56   0.014% *  1.0005% (0.80   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.52 +/- 1.43   0.001% *  1.1206% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  25.33 +/- 2.32   0.001% *  1.1206% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.95 +/- 2.16   0.003% *  0.3857% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.54 +/- 0.20  99.947% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   9.79 +/- 2.06   0.045% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  14.12 +/- 3.18   0.006% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  19.08 +/- 2.75   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.02 +/- 1.86   0.000% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.67 +/- 1.43   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  20.78 +/- 5.92   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.28 +/- 2.61   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.63, residual support = 37.0:
          HN    LEU  104 - HN    ILE  103   4.53 +/- 0.18  99.955% * 99.3966% (0.49   6.63  37.00) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.57 +/- 0.89   0.045% *  0.6034% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.15 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.5:
      O   HA    LYS+ 102 - HN    ILE  103   2.29 +/- 0.13  99.999% * 99.7796% (0.97  10.0   5.97  22.47) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  21.21 +/- 1.71   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.22 +/- 1.17   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.65 +/- 1.08   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.82 +/- 3.46   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.79 +/- 3.10   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.01, residual support = 135.8:
      O   HA    ILE  103 - HN    ILE  103   2.81 +/- 0.08  99.982% * 99.2916% (0.98  10.0   7.01 135.77) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.59 +/- 0.77   0.008% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.40 +/- 1.10   0.006% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  22.10 +/- 2.26   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  23.28 +/- 4.32   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  20.78 +/- 5.53   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.85 +/- 1.93   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  26.55 +/- 2.14   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.30 +/- 2.94   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.98 +/- 3.42   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.82 +/- 2.04   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.41 +/- 2.93   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.64, residual support = 40.7:
        T HN    ASP- 105 - HN    LEU  104   2.70 +/- 0.58  99.997% * 99.9802% (1.00 10.00   6.64  40.75) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  21.03 +/- 3.94   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.64, residual support = 6.17:
          HA    LEU   98 - HN    LEU  104   3.43 +/- 0.94 100.000% *100.0000% (0.80   2.64   6.17) = 100.000%  kept
    Distance limit 3.85 A violated in 2 structures by 0.21 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.01, residual support = 37.0:
      O   HA    ILE  103 - HN    LEU  104   2.33 +/- 0.14  99.988% * 99.2645% (0.95  10.0   6.01  37.00) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.82 +/- 0.83   0.006% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.65 +/- 0.87   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.87 +/- 1.66   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  21.48 +/- 4.78   0.000% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  23.32 +/- 3.56   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.47 +/- 1.66   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.75 +/- 1.79   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  25.55 +/- 1.65   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.63 +/- 2.08   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.65 +/- 2.77   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.80 +/- 2.60   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.34, residual support = 56.1:
        T HN    PHE   97 - HN    ASP- 105   3.65 +/- 0.88  99.860% * 99.7623% (0.73 10.00   4.34  56.05) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.94 +/- 1.01   0.121% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.98 +/- 1.22   0.017% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.06 +/- 2.20   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 3 structures by 0.24 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 40.7:
        T HN    LEU  104 - HN    ASP- 105   2.70 +/- 0.58  99.987% * 99.9822% (0.87 10.00   6.64  40.75) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.65 +/- 0.61   0.013% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.08 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 135.8:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 135.76) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 21.8:
      O   HA    ASP- 105 - HN    LYS+ 106   2.49 +/- 0.09  99.999% * 99.6913% (0.92  10.0   3.49  21.79) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  23.30 +/- 2.19   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  22.57 +/- 1.48   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.70 +/- 1.48   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  23.26 +/- 1.49   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.43, residual support = 42.7:
      O   HA    ASP- 105 - HN    ASP- 105   2.88 +/- 0.03  99.998% * 99.6913% (0.92  10.0   4.43  42.74) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  23.47 +/- 2.33   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.07 +/- 1.48   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  24.06 +/- 1.49   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  24.41 +/- 1.46   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 6.14, residual support = 38.2:
      O   HA    LEU  104 - HN    ASP- 105   3.51 +/- 0.32  80.092% * 76.4207% (0.34  10.0   6.37  40.75) =  93.315%  kept
          HA    ILE  103 - HN    ASP- 105   4.70 +/- 0.65  19.768% * 22.1795% (0.65   1.0   3.06   2.36) =   6.684%  kept
          HA    ASP-  44 - HN    ASP- 105  10.85 +/- 0.74   0.103% *  0.1871% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.50 +/- 0.76   0.028% *  0.0499% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  20.39 +/- 1.58   0.002% *  0.1712% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  22.17 +/- 4.37   0.002% *  0.1794% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  23.52 +/- 3.28   0.001% *  0.1712% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.42 +/- 1.57   0.001% *  0.1627% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  27.78 +/- 2.44   0.000% *  0.1871% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.78 +/- 2.59   0.000% *  0.1943% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  25.37 +/- 1.55   0.001% *  0.0623% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.93 +/- 2.26   0.001% *  0.0346% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.44:
          QD    PHE   97 - HN    VAL  107   6.01 +/- 1.41  96.740% * 98.5222% (0.87   1.50   2.45) =  99.970%  kept
          HZ3   TRP   87 - HN    VAL  107  16.24 +/- 4.71   2.067% *  1.2126% (0.80   0.02   0.02) =   0.026%
          HE3   TRP   49 - HN    VAL  107  18.79 +/- 2.72   1.193% *  0.2652% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.42 A violated in 14 structures by 1.65 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.05 100.000% *100.0000% (0.98  10.0   4.58  26.84) = 100.000%  kept
    Distance limit 3.11 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 = 60.0:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.00  99.817% * 99.7406% (0.95  10.0   3.66  60.04) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   9.23 +/- 1.46   0.153% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  14.43 +/- 1.18   0.008% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.29 +/- 2.04   0.019% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.21 +/- 0.89   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 56.1:
          QD    PHE   97 - HN    ASP- 105   3.23 +/- 0.75  99.940% * 99.5905% (0.87   5.47  56.05) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  17.15 +/- 6.35   0.054% *  0.3360% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  24.77 +/- 3.32   0.006% *  0.0735% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.32, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   5.31 +/- 1.64  86.796% * 19.2756% (0.26   0.02   0.02) =  78.317%  kept
          HA    LYS+  74 - HN    GLY  109  14.12 +/- 2.19   4.282% * 55.3898% (0.74   0.02   0.02) =  11.103%  kept
          HA    MET   92 - HN    GLY  109   8.04 +/- 2.11   8.921% * 25.3346% (0.34   0.02   0.02) =  10.580%  kept
    Distance limit 4.36 A violated in 9 structures by 0.99 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 = 0.511, support = 2.21, residual support = 8.3:
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  72.939% * 31.6430% (0.34  10.0   2.33   7.48) =  55.653%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.69 +/- 0.26  27.001% * 68.1141% (0.73  10.0   2.07   9.33) =  44.347%  kept
          HA    CYS   50 - HN    GLY  109  11.54 +/- 2.45   0.044% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.33 +/- 2.75   0.013% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.44 +/- 1.53   0.003% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.53 +/- 1.95   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.87 +/- 1.08   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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   3.25 +/- 0.87  98.438% * 97.3114% (0.90   3.04   9.12) =  99.989%  kept
          HN    ILE   56 - HN    ALA  110   8.82 +/- 3.29   1.452% *  0.6989% (0.98   0.02   3.85) =   0.011%
          HN    LEU   63 - HN    ALA  110  14.00 +/- 3.17   0.032% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  18.39 +/- 3.42   0.069% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  19.06 +/- 1.91   0.005% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.49 +/- 2.38   0.002% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  31.27 +/- 2.02   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.691, support = 2.03, residual support = 6.2:
      O   HA1   GLY  109 - HN    ALA  110   3.34 +/- 0.39  64.443% * 93.8842% (0.69  10.0   2.07   6.41) =  96.733%  kept
          HA    VAL  108 - HN    ALA  110   4.33 +/- 1.21  35.374% *  5.7754% (0.80   1.0   1.06   0.02) =   3.266%  kept
          HA    CYS   50 - HN    ALA  110  11.75 +/- 2.41   0.124% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  13.36 +/- 2.57   0.031% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.68 +/- 2.78   0.027% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.89 +/- 2.69   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.29  97.777% * 98.1886% (0.18  10.0   2.74   9.59) =  99.993%  kept
          HA    VAL  107 - HN    ALA  110   6.62 +/- 1.15   0.791% *  0.5304% (0.95   1.0   0.02   0.02) =   0.004%
          HA    PRO   52 - HN    ALA  110   9.03 +/- 2.90   1.420% *  0.1912% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    ALA  110  11.81 +/- 2.23   0.013% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.76 +/- 2.32   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 27.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.34 +/- 0.15  99.847% * 99.8172% (0.99 10.00   5.35  27.53) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.32 +/- 2.19   0.116% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.31 +/- 2.65   0.018% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  19.25 +/- 2.63   0.019% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  38.35 +/- 3.21   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.28 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   3.25 +/- 0.87  99.948% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  12.05 +/- 2.06   0.052% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.772, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.44 +/- 1.71  39.245% * 58.2608% (1.00   0.02   0.02) =  64.579%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.50 +/- 0.90  37.317% * 19.8732% (0.34   0.02   0.02) =  20.946%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.52 +/- 1.57  23.438% * 21.8659% (0.38   0.02   0.02) =  14.475%  kept
    Distance limit 4.43 A violated in 20 structures by 5.96 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   2.87 +/- 0.31  97.798% * 99.3312% (0.45  10.0   3.04   9.12) =  99.996%  kept
          HA    VAL  107 - HN    LYS+ 111   6.48 +/- 1.60   1.991% *  0.2138% (0.97   1.0   0.02   0.02) =   0.004%
          HA    PHE   55 - HN    LYS+ 111  10.28 +/- 2.44   0.196% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LYS+ 111  13.98 +/- 1.91   0.012% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  17.18 +/- 2.03   0.003% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.30 +/- 2.16   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.10 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 27.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.35 +/- 0.23  99.968% * 99.8075% (0.53  10.0   7.10  27.53) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.31 +/- 0.67   0.029% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.31 +/- 2.61   0.003% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 4.14, residual support = 21.6:
        T HN    GLU- 114 - HN    ASP- 113   2.59 +/- 0.15  97.269% * 99.7300% (0.81 10.00   4.14  21.62) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.80 +/- 0.30   2.587% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.89 +/- 0.57   0.133% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.12 +/- 1.12   0.011% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.34 +/- 1.22   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.14, residual support = 21.6:
        T HN    ASP- 113 - HN    GLU- 114   2.59 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.14  21.62) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.62, residual support = 44.3:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.04  97.184% * 99.6055% (0.97  10.0   3.62  44.33) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.11 +/- 0.13   2.779% *  0.0543% (0.53   1.0   0.02  15.62) =   0.002%
          HA    CYS   53 - HN    GLU- 114  11.52 +/- 1.84   0.037% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.19 +/- 1.39   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.78 +/- 0.92   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.52 +/- 1.31   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.86 +/- 1.62   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.08, residual support = 3.75:
          HA    LYS+ 111 - HN    ASP- 113   3.80 +/- 0.38  98.410% * 99.1585% (0.74   2.08   3.75) =  99.994%  kept
          HA    PRO   52 - HN    ASP- 113  10.83 +/- 2.26   1.150% *  0.3749% (0.29   0.02   0.02) =   0.004%
          HA    VAL  108 - HN    ASP- 113  10.11 +/- 0.81   0.420% *  0.2741% (0.21   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.30 +/- 2.46   0.020% *  0.1925% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.33, residual support = 14.0:
      O   HA    ASP- 113 - HN    ASP- 113   2.77 +/- 0.06  99.850% * 99.6702% (0.85  10.0   3.33  13.98) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.16 +/- 1.37   0.115% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.14 +/- 1.34   0.032% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.74 +/- 0.62   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.71 +/- 1.30   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  23.89 +/- 2.61   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.96 +/- 1.38   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.917, support = 7.44, residual support = 82.2:
        T HN    GLN  116 - HN    LEU  115   2.79 +/- 0.15  37.551% * 85.3073% (0.99 10.00   8.06 100.55) =  78.386%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.15  60.873% * 14.5083% (0.65  1.00   5.21  15.62) =  21.611%  kept
          HN    THR  118 - HN    LEU  115   4.80 +/- 0.31   1.546% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.44 +/- 0.80   0.030% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  18.62 +/- 0.92   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  24.99 +/- 1.00   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.06, residual support = 100.5:
        T HN    LEU  115 - HN    GLN  116   2.79 +/- 0.15  99.993% * 99.8619% (0.98 10.00   8.06 100.55) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  14.22 +/- 1.67   0.007% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  33.07 +/- 2.24   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.64, residual support = 28.5:
        T HN    SER  117 - HN    GLN  116   2.71 +/- 0.16  99.999% * 99.8966% (0.97 10.00   5.64  28.50) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  20.97 +/- 1.62   0.001% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  28.08 +/- 1.98   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.39, residual support = 18.0:
        T HN    GLN  116 - HN    SER  117   2.71 +/- 0.16  51.973% * 50.9371% (0.99 10.00   5.64  28.50) =  54.223%  kept
        T HN    THR  118 - HN    SER  117   2.78 +/- 0.15  45.973% * 48.6147% (0.95 10.00   2.92   5.46) =  45.776%  kept
          HN    GLU- 114 - HN    SER  117   4.69 +/- 0.27   2.043% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.28 +/- 0.58   0.010% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  18.59 +/- 1.55   0.001% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.18 +/- 1.45   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.54, residual support = 123.1:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.995% * 99.8133% (0.95  10.0   2.54 123.06) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.50 +/- 1.20   0.005% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.87 +/- 1.73   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.88 +/- 3.34   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.54, residual support = 123.1:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.792% * 99.7477% (0.90  10.0 10.00   2.54 123.06) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.66 +/- 1.19   0.205% *  0.1090% (0.98   1.0  1.00   0.02   0.43) =   0.000%
          HN    ALA   57 - HE22  GLN  116  13.42 +/- 1.36   0.001% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.00 +/- 1.85   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  30.08 +/- 2.26   0.000% *  0.0309% (0.28   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 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   3.80 +/- 0.29  96.150% * 91.8913% (1.00   0.75   1.50) =  99.935%  kept
          HA    PHE   59 - HN    GLN  116   7.62 +/- 1.11   2.545% *  1.4896% (0.61   0.02   0.47) =   0.043%
          HA    ILE   56 - HN    GLN  116   8.15 +/- 0.93   1.194% *  1.4896% (0.61   0.02   0.02) =   0.020%
          HA    LEU  123 - HN    GLN  116  12.22 +/- 0.62   0.103% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.59 +/- 2.10   0.005% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  27.89 +/- 1.92   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  24.35 +/- 2.52   0.002% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 123.1:
      O   HA    GLN  116 - HN    GLN  116   2.76 +/- 0.05  99.995% * 99.5202% (1.00  10.0   7.00 123.06) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  18.28 +/- 1.77   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  17.95 +/- 1.34   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  19.81 +/- 1.81   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.85 +/- 1.93   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.71 +/- 1.89   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.52 +/- 1.62   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.87 +/- 1.46   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  29.57 +/- 2.11   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.955, support = 7.34, residual support = 202.0:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.04  82.336% * 60.5049% (1.00  10.0   7.68 227.96) =  87.796%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.59 +/- 0.04  17.653% * 39.2280% (0.65  10.0   4.92  15.62) =  12.204%  kept
          HA    ARG+  54 - HN    LEU  115  12.86 +/- 1.01   0.010% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.59 +/- 0.70   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.97 +/- 1.60   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.16 +/- 1.62   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.91 +/- 0.99   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  23.89 +/- 2.27   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.59 +/- 1.21   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.61, residual support = 16.3:
      O   HA    SER  117 - HN    SER  117   2.75 +/- 0.05  99.992% * 99.4282% (0.38  10.0   3.61  16.28) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.60 +/- 1.03   0.008% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  27.99 +/- 1.37   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  30.29 +/- 2.18   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.51, residual support = 54.1:
        T HN    ILE  119 - HN    ALA  120   2.76 +/- 0.10  99.999% * 99.2864% (0.83 10.00   5.51  54.08) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.78 +/- 1.65   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.58 +/- 3.11   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  25.83 +/- 2.02   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 6.85, residual support = 50.8:
          HN    HIS  122 - HN    LYS+ 121   2.74 +/- 0.03  98.825% * 99.4639% (0.80   6.85  50.75) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.08 +/- 0.84   1.159% *  0.0724% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.05 +/- 1.05   0.016% *  0.1761% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  25.05 +/- 5.11   0.000% *  0.2877% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.82, residual support = 38.1:
          HN    LEU  123 - HN    HIS  122   2.13 +/- 0.12  99.880% * 99.5766% (0.26   5.82  38.06) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.55 +/- 0.09   0.120% *  0.1174% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.13 +/- 2.19   0.000% *  0.1606% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  25.32 +/- 2.83   0.000% *  0.1453% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.82, residual support = 38.1:
          HN    HIS  122 - HN    LEU  123   2.13 +/- 0.12  99.942% * 99.1273% (0.87   5.82  38.06) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   7.76 +/- 0.91   0.056% *  0.2065% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.00 +/- 1.09   0.002% *  0.3520% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  26.93 +/- 5.77   0.000% *  0.3142% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 4.03, residual support = 12.0:
      O   HA    LEU  123 - HN    ALA  124   2.28 +/- 0.02  99.993% * 99.5133% (1.00  10.0   4.03  12.03) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  18.42 +/- 6.11   0.002% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.87 +/- 5.95   0.003% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.27 +/- 1.47   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.60 +/- 0.83   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.38 +/- 1.69   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.00 +/- 4.48   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  25.02 +/- 6.29   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.23 +/- 4.79   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.8, residual support = 9.19:
      O   HA    ALA  124 - HN    ALA  124   2.67 +/- 0.28  99.993% * 99.5705% (1.00  10.0   1.80   9.19) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.47 +/- 0.65   0.005% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  22.36 +/- 6.09   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.56 +/- 1.58   0.000% *  0.1071% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  27.50 +/- 6.36   0.000% *  0.0762% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  23.14 +/- 5.44   0.001% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.19 +/- 4.89   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  33.77 +/- 2.36   0.000% *  0.0888% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 38.1:
      O   HA    HIS  122 - HN    LEU  123   3.37 +/- 0.07  99.982% * 99.8702% (1.00  10.0   4.77  38.06) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.99 +/- 4.23   0.015% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.46 +/- 1.78   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.83 +/- 1.45   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.26, residual support = 201.3:
      O   HA    LEU  123 - HN    LEU  123   2.83 +/- 0.05  99.954% * 99.5133% (1.00  10.0   6.26 201.29) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  16.11 +/- 5.06   0.011% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.17 +/- 0.66   0.011% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  15.94 +/- 4.71   0.011% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.41 +/- 1.35   0.005% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.62 +/- 1.33   0.006% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  23.51 +/- 4.81   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.97 +/- 2.98   0.002% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.93 +/- 3.18   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.56, residual support = 71.8:
          HD2   HIS  122 - HN    HIS  122   2.98 +/- 0.46  99.566% * 97.1671% (0.11   6.56  71.79) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.23 +/- 1.38   0.432% *  0.3272% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.15 +/- 2.25   0.002% *  0.9404% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  30.29 +/- 3.68   0.000% *  0.8322% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  30.48 +/- 1.72   0.000% *  0.7332% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 5.15, residual support = 71.8:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  99.988% * 99.8131% (0.30  10.0   5.15  71.79) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  15.51 +/- 3.79   0.011% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.65 +/- 1.68   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.6, residual support = 235.3:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.01  81.059% * 38.4533% (0.49  10.0   6.31 316.35) =  74.240%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.54 +/- 0.03  17.676% * 61.1842% (0.77  10.0   3.53   1.67) =  25.759%  kept
          QB    SER  117 - HN    LYS+ 121   5.59 +/- 0.40   1.257% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  14.91 +/- 1.44   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.69 +/- 1.24   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.36 +/- 1.92   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.51 +/- 1.29   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.00 +/- 1.68   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.25 +/- 1.71   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  27.89 +/- 1.95   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  26.46 +/- 2.85   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  28.46 +/- 2.02   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 14.0:
      O   HA    ALA  120 - HN    ALA  120   2.81 +/- 0.05  94.657% * 99.2369% (0.74  10.0   3.61  14.04) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.07 +/- 0.16   2.832% *  0.0465% (0.35   1.0   0.02   1.67) =   0.001%
          QB    SER  117 - HN    ALA  120   5.15 +/- 0.09   2.499% *  0.0168% (0.12   1.0   0.02   5.76) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.50 +/- 1.40   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.48 +/- 1.99   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.83 +/- 1.13   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.04 +/- 1.83   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.74 +/- 1.30   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.51 +/- 1.86   0.001% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  28.03 +/- 1.67   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  23.64 +/- 1.52   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.84 +/- 2.76   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  28.55 +/- 1.76   0.000% *  0.0383% (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 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.327, support = 3.48, residual support = 123.1:
      O   HG2   GLN  116 - HE22  GLN  116   3.63 +/- 0.17  63.827% * 37.6518% (0.25  10.0   3.53 123.06) =  51.709%  kept
      O   HG3   GLN  116 - HE22  GLN  116   4.01 +/- 0.34  36.153% * 62.0774% (0.41  10.0   3.43 123.06) =  48.291%  kept
          HB3   PHE   95 - HE22  GLN  116  14.74 +/- 1.95   0.019% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  27.32 +/- 2.88   0.000% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  35.35 +/- 2.57   0.000% *  0.1507% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.12, residual support = 12.0:
          HB2   LEU  123 - HN    ALA  124   3.93 +/- 0.43  99.311% * 96.1386% (0.76   4.12  12.03) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.58 +/- 0.17   0.543% *  0.4431% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.92 +/- 2.07   0.093% *  0.4664% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  20.21 +/- 5.36   0.021% *  0.5773% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  20.39 +/- 4.29   0.010% *  0.5773% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.00 +/- 2.17   0.004% *  0.4886% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.79 +/- 1.25   0.004% *  0.2970% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.93 +/- 4.06   0.006% *  0.1522% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.79 +/- 2.78   0.005% *  0.1208% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.30 +/- 1.64   0.002% *  0.2290% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  31.35 +/- 3.43   0.001% *  0.5097% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.19:
      O   QB    ALA  124 - HN    ALA  124   2.32 +/- 0.33  99.983% * 98.5430% (0.65  10.0   1.80   9.19) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  13.12 +/- 2.30   0.006% *  0.0636% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  14.83 +/- 2.60   0.003% *  0.0959% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.42 +/- 4.57   0.003% *  0.0959% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.51 +/- 3.09   0.001% *  0.1469% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  20.12 +/- 5.16   0.001% *  0.1294% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.84 +/- 1.28   0.000% *  0.1294% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.42 +/- 2.48   0.001% *  0.0824% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  22.33 +/- 4.81   0.000% *  0.1163% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.78 +/- 2.43   0.000% *  0.1519% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.27 +/- 3.64   0.000% *  0.1096% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  21.80 +/- 4.47   0.001% *  0.0297% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.68 +/- 5.30   0.000% *  0.0824% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  27.20 +/- 2.07   0.000% *  0.1469% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.97 +/- 5.27   0.000% *  0.0297% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  31.44 +/- 3.29   0.000% *  0.0471% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 3.54, residual support = 23.9:
          HA    ALA  120 - HN    LEU  123   2.66 +/- 0.16  90.496% * 64.5195% (0.99   3.61  25.05) =  94.873%  kept
          HA    LYS+ 121 - HN    LEU  123   3.95 +/- 0.13   9.417% * 33.5019% (0.84   2.22   2.28) =   5.126%  kept
          QB    SER  117 - HN    LEU  123   8.76 +/- 0.31   0.076% *  0.1757% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.44 +/- 1.96   0.007% *  0.2479% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.61 +/- 2.56   0.003% *  0.2758% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.12 +/- 1.54   0.001% *  0.3237% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  24.95 +/- 1.16   0.000% *  0.3483% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.92 +/- 1.56   0.000% *  0.2758% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  29.73 +/- 2.30   0.000% *  0.2758% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.44 +/- 1.53   0.000% *  0.0557% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.985, support = 5.16, residual support = 37.2:
          HB3   HIS  122 - HN    LEU  123   3.90 +/- 0.39  88.311% * 83.4407% (0.99   5.26  38.06) =  97.485%  kept
          QE    LYS+ 121 - HN    LEU  123   6.21 +/- 1.07  11.684% * 16.2712% (0.76   1.33   2.28) =   2.515%  kept
          HG2   GLN   30 - HN    LEU  123  23.49 +/- 3.38   0.003% *  0.0890% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.61 +/- 2.02   0.001% *  0.1558% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  28.11 +/- 3.85   0.001% *  0.0433% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 201.3:
          HG    LEU  123 - HN    LEU  123   3.62 +/- 0.29  94.510% * 96.8044% (0.76   5.82 201.29) =  99.992%  kept
          QB    LYS+  66 - HN    LEU  123   7.44 +/- 2.15   4.355% *  0.0861% (0.20   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU  123  10.24 +/- 3.96   0.704% *  0.3327% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    LEU  123  12.33 +/- 2.76   0.295% *  0.3776% (0.87   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LEU  123  13.18 +/- 2.17   0.062% *  0.1952% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  17.87 +/- 4.08   0.013% *  0.3636% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  18.15 +/- 4.40   0.013% *  0.2119% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  18.03 +/- 4.16   0.016% *  0.1485% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.02 +/- 2.20   0.004% *  0.3327% (0.76   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.54 +/- 1.75   0.021% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.93 +/- 3.97   0.004% *  0.2816% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.80 +/- 1.37   0.002% *  0.3486% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  29.24 +/- 1.63   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  29.36 +/- 1.77   0.000% *  0.2119% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.15, residual support = 201.3:
      O   HB2   LEU  123 - HN    LEU  123   2.55 +/- 0.54  96.848% * 99.1788% (0.76  10.0   6.15 201.29) =  99.997%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.06 +/- 0.15   3.134% *  0.0942% (0.73   1.0   0.02   2.28) =   0.003%
          QD    LYS+  65 - HN    LEU  123  13.89 +/- 1.33   0.007% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.76 +/- 3.76   0.003% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.33 +/- 3.94   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.88 +/- 1.24   0.002% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.43 +/- 2.11   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.55 +/- 3.15   0.002% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.36 +/- 2.06   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.39 +/- 1.51   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  28.18 +/- 2.90   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.886, support = 6.69, residual support = 201.3:
          QD1   LEU  123 - HN    LEU  123   2.44 +/- 0.53  90.776% * 85.1530% (0.90   6.69 201.29) =  98.545%  kept
          QD2   LEU  123 - HN    LEU  123   4.11 +/- 0.43   8.189% * 13.9117% (0.15   6.35 201.29) =   1.452%  kept
          QG1   VAL   70 - HN    LEU  123   8.46 +/- 3.35   0.937% *  0.1950% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    LEU  123  11.85 +/- 4.62   0.035% *  0.2813% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.88 +/- 1.74   0.057% *  0.0438% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  15.09 +/- 3.10   0.004% *  0.2545% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.50 +/- 1.79   0.002% *  0.1607% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 38.1:
          HB2   HIS  122 - HN    LEU  123   4.33 +/- 0.34  99.889% * 99.3232% (1.00   5.26  38.06) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.00 +/- 0.87   0.100% *  0.3384% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  20.64 +/- 1.52   0.011% *  0.3384% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.245, support = 6.54, residual support = 34.6:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  50.103% * 66.1222% (0.20  10.0   6.81  50.75) =  66.857%  kept
          HA    ALA  120 - HN    HIS  122   3.53 +/- 0.21  49.451% * 33.2104% (0.33   1.0   6.01   1.98) =  33.143%  kept
          QB    SER  117 - HN    HIS  122   7.87 +/- 0.30   0.406% *  0.0291% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.11 +/- 1.66   0.025% *  0.1078% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.29 +/- 2.13   0.008% *  0.1127% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.16 +/- 1.53   0.004% *  0.0756% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  23.58 +/- 1.16   0.001% *  0.0893% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.98 +/- 1.52   0.001% *  0.0398% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.65 +/- 1.49   0.001% *  0.0568% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  28.03 +/- 2.34   0.000% *  0.1127% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  25.14 +/- 3.79   0.001% *  0.0231% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  28.96 +/- 2.40   0.000% *  0.0205% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.261, support = 3.66, residual support = 9.22:
          HA    ILE  119 - HN    HIS  122   3.76 +/- 0.29  83.972% * 49.0854% (0.27   3.50  10.21) =  83.756%  kept
          HA    THR  118 - HN    HIS  122   5.07 +/- 0.21  15.963% * 50.0748% (0.21   4.50   4.11) =  16.243%  kept
          HD3   PRO   58 - HN    HIS  122  14.04 +/- 1.22   0.037% *  0.1021% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  16.67 +/- 2.12   0.023% *  0.1134% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.55 +/- 1.87   0.003% *  0.1932% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.12 +/- 1.96   0.001% *  0.2523% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  26.07 +/- 2.56   0.001% *  0.1788% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 5.88, residual support = 71.8:
      O   HB2   HIS  122 - HN    HIS  122   3.44 +/- 0.44  98.460% * 99.5910% (0.11  10.0   5.88  71.79) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.94 +/- 1.71   1.496% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  12.94 +/- 0.69   0.043% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.92 +/- 2.24   0.000% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.323, support = 5.9, residual support = 71.2:
      O   HB3   HIS  122 - HN    HIS  122   3.01 +/- 0.40  88.970% * 82.4968% (0.33  10.0   5.88  71.79) =  97.448%  kept
          QE    LYS+ 121 - HN    HIS  122   5.22 +/- 1.01  11.029% * 17.4297% (0.21   1.0   6.43  50.75) =   2.552%  kept
          HG2   GLN   30 - HN    HIS  122  22.10 +/- 2.93   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  28.00 +/- 1.97   0.000% *  0.0578% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.32, support = 7.27, residual support = 49.6:
          HB2   LYS+ 121 - HN    HIS  122   3.39 +/- 0.23  78.409% * 72.4076% (0.33   7.47  50.75) =  90.877%  kept
          HB2   LEU  123 - HN    HIS  122   4.40 +/- 0.57  21.514% * 26.4929% (0.17   5.31  38.06) =   9.123%  kept
          QD    LYS+  65 - HN    HIS  122  13.61 +/- 1.28   0.023% *  0.1978% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.54 +/- 3.56   0.010% *  0.1488% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  18.58 +/- 3.34   0.005% *  0.2031% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.26 +/- 0.68   0.015% *  0.0359% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  17.81 +/- 2.05   0.005% *  0.1078% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.85 +/- 1.81   0.005% *  0.0843% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.67 +/- 1.35   0.006% *  0.0511% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.32 +/- 1.37   0.005% *  0.0316% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  26.33 +/- 2.87   0.000% *  0.2031% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.63 +/- 1.50   0.002% *  0.0359% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.29, support = 6.55, residual support = 50.7:
          HB3   LYS+ 121 - HN    HIS  122   3.94 +/- 0.36  53.967% * 66.9612% (0.35   6.30  50.75) =  72.106%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.28 +/- 1.18  43.586% * 32.0629% (0.15   7.19  50.75) =  27.885%  kept
          QD    LYS+  66 - HN    HIS  122   8.24 +/- 2.43   2.227% *  0.1737% (0.28   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    HIS  122  12.00 +/- 4.17   0.164% *  0.2127% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.65 +/- 1.49   0.019% *  0.2003% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.86 +/- 1.69   0.027% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.18 +/- 1.54   0.005% *  0.1946% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.72 +/- 2.23   0.002% *  0.0603% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  23.16 +/- 3.04   0.002% *  0.0603% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.3, residual support = 38.0:
          QD1   LEU  123 - HN    HIS  122   3.45 +/- 0.68  87.486% * 98.4848% (0.31   6.30  38.06) =  99.951%  kept
          QG1   VAL   70 - HN    HIS  122   7.79 +/- 2.75  10.568% *  0.3572% (0.35   0.02   0.02) =   0.044%
          HB3   LEU  104 - HN    HIS  122  10.35 +/- 4.41   1.021% *  0.1896% (0.19   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    HIS  122   8.65 +/- 1.25   0.788% *  0.2331% (0.23   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    HIS  122  14.14 +/- 2.58   0.058% *  0.3126% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  14.48 +/- 1.57   0.028% *  0.3596% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  13.79 +/- 2.06   0.051% *  0.0631% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 1 structures by 0.10 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.518, support = 2.48, residual support = 6.81:
          HA    THR  118 - HN    LYS+ 121   3.07 +/- 0.26  82.944% * 37.5255% (0.49   2.30   8.47) =  74.937%  kept
          HA    ILE  119 - HN    LYS+ 121   4.06 +/- 0.11  16.996% * 61.2469% (0.61   2.99   1.84) =  25.063%  kept
          HA2   GLY  109 - HN    LYS+ 121  15.25 +/- 2.07   0.048% *  0.1657% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    LYS+ 121  13.93 +/- 1.10   0.011% *  0.1493% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.22 +/- 1.41   0.001% *  0.2825% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.58 +/- 2.31   0.000% *  0.3688% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  25.92 +/- 2.17   0.000% *  0.2613% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 6.79, residual support = 316.4:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.25 +/- 0.37  98.484% * 99.3852% (0.76  10.0   6.79 316.35) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.22 +/- 0.70   1.504% *  0.0511% (0.39   1.0   0.02   2.28) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.03 +/- 1.14   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.70 +/- 2.86   0.002% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.88 +/- 2.55   0.001% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.62 +/- 1.39   0.002% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.13 +/- 2.31   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.40 +/- 0.60   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.25 +/- 1.45   0.002% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.61 +/- 1.52   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.68 +/- 1.51   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  26.58 +/- 2.39   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.545, support = 5.42, residual support = 243.5:
          HD2   LYS+ 121 - HN    LYS+ 121   3.32 +/- 0.87  39.226% * 82.5220% (0.64   6.02 316.35) =  76.859%  kept
          QB    ALA  120 - HN    LYS+ 121   2.90 +/- 0.10  60.450% * 16.1218% (0.22   3.39   1.67) =  23.140%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.50 +/- 2.25   0.243% *  0.1406% (0.33   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+ 121   9.23 +/- 0.96   0.069% *  0.0951% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  14.37 +/- 3.05   0.008% *  0.1665% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.43 +/- 1.47   0.003% *  0.2967% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.85 +/- 1.45   0.001% *  0.3413% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.87 +/- 1.69   0.000% *  0.3158% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.86, residual support = 316.3:
          HG2   LYS+ 121 - HN    LYS+ 121   4.06 +/- 0.27  90.210% * 99.0688% (0.77   5.86 316.35) =  99.986%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.10 +/- 1.04   1.902% *  0.3473% (0.79   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    LYS+ 121   6.23 +/- 0.36   7.828% *  0.0693% (0.16   0.02   1.84) =   0.006%
          HG13  ILE  103 - HN    LYS+ 121  15.45 +/- 3.31   0.049% *  0.2266% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.96 +/- 1.14   0.007% *  0.2266% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.97 +/- 2.88   0.004% *  0.0614% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.16 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 2.18, residual support = 2.28:
          QD1   LEU  123 - HN    LYS+ 121   4.54 +/- 0.39  82.692% * 90.0232% (0.72   2.20   2.28) =  98.842%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.44 +/- 0.41  12.030% *  6.9637% (0.12   0.99   2.28) =   1.112%  kept
          HB3   LEU  104 - HN    LYS+ 121  10.48 +/- 3.78   1.999% *  0.9063% (0.79   0.02   0.02) =   0.024%
          QG1   VAL   70 - HN    LYS+ 121   9.46 +/- 2.13   2.202% *  0.6281% (0.55   0.02   0.02) =   0.018%
          HB3   LEU   63 - HN    LYS+ 121   9.76 +/- 0.96   0.959% *  0.1411% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LYS+ 121  15.59 +/- 1.98   0.064% *  0.8200% (0.72   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LYS+ 121  15.54 +/- 1.31   0.054% *  0.5177% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.24 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 54.1:
          HB    ILE  119 - HN    ALA  120   3.08 +/- 0.29  99.917% * 97.4761% (0.90   5.03  54.08) = 100.000%  kept
          HB    VAL  108 - HN    ALA  120  14.06 +/- 1.58   0.015% *  0.3301% (0.77   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.94 +/- 1.20   0.039% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.93 +/- 2.03   0.011% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  15.88 +/- 2.49   0.010% *  0.1772% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.20 +/- 1.38   0.002% *  0.3021% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  22.40 +/- 3.49   0.001% *  0.3944% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.55 +/- 2.51   0.001% *  0.3874% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.90 +/- 2.16   0.003% *  0.0986% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.98 +/- 2.01   0.000% *  0.3739% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  19.92 +/- 1.77   0.002% *  0.0986% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.02, residual support = 14.0:
      O   QB    ALA  120 - HN    ALA  120   2.06 +/- 0.07  98.946% * 99.1734% (0.49  10.0   4.02  14.04) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.24 +/- 1.17   0.924% *  0.0992% (0.49   1.0   0.02   1.67) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.58 +/- 1.17   0.069% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   8.87 +/- 2.03   0.044% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.09 +/- 3.40   0.014% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  15.91 +/- 3.16   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.77 +/- 1.39   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.62 +/- 1.43   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.25 +/- 1.72   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 54.1:
          QG2   ILE  119 - HN    ALA  120   2.49 +/- 0.50  99.483% * 96.6193% (0.49   5.63  54.08) =  99.997%  kept
          QD1   LEU   67 - HN    ALA  120   8.37 +/- 2.92   0.485% *  0.5220% (0.74   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    ALA  120  12.02 +/- 2.75   0.021% *  0.4982% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  13.05 +/- 2.33   0.006% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  15.20 +/- 2.47   0.003% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.43 +/- 2.02   0.002% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.56 +/- 1.63   0.001% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.86 +/- 1.56   0.000% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.92, residual support = 16.3:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.06  99.910% * 97.2780% (0.25  10.0   2.92  16.28) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.54 +/- 0.33   0.058% *  0.3690% (0.95   1.0   0.02   5.76) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.55 +/- 0.59   0.029% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  15.05 +/- 1.20   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.22 +/- 0.96   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.23 +/- 2.06   0.001% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.82 +/- 1.88   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.45 +/- 1.52   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.11 +/- 1.58   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  26.45 +/- 1.81   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  26.30 +/- 1.97   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  29.29 +/- 1.37   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.379, support = 5.49, residual support = 28.5:
          HG3   GLN  116 - HN    SER  117   4.98 +/- 0.74  41.680% * 69.1691% (0.49   5.37  28.50) =  62.611%  kept
          HG2   GLN  116 - HN    SER  117   4.69 +/- 0.78  57.615% * 29.8798% (0.20   5.70  28.50) =  37.387%  kept
          HB3   PHE   95 - HN    SER  117  10.60 +/- 1.27   0.698% *  0.1321% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  22.77 +/- 2.62   0.006% *  0.2999% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.28 +/- 2.01   0.001% *  0.5192% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.33 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 28.5:
          HB2   GLN  116 - HN    SER  117   3.26 +/- 0.26  99.884% * 98.7755% (0.97   4.90  28.50) = 100.000%  kept
          HB2   PRO   58 - HN    SER  117  11.79 +/- 1.74   0.078% *  0.3033% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    SER  117  13.08 +/- 1.63   0.037% *  0.4177% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  23.31 +/- 1.94   0.001% *  0.3746% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.52 +/- 1.71   0.001% *  0.1289% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.36, residual support = 123.1:
          HG2   GLN  116 - HN    GLN  116   3.58 +/- 0.36  99.713% * 99.4321% (0.73   7.36 123.06) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116  10.21 +/- 1.42   0.287% *  0.2978% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.47 +/- 2.04   0.000% *  0.2701% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.61, residual support = 123.1:
      O   HB2   GLN  116 - HN    GLN  116   2.09 +/- 0.06  99.974% * 99.6757% (0.98  10.0   7.61 123.06) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116   9.70 +/- 1.79   0.025% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.82 +/- 1.86   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.44 +/- 1.98   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.14 +/- 1.70   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.93 +/- 1.27   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 7.35, residual support = 96.4:
          HB2   LEU  115 - HN    GLN  116   3.35 +/- 0.35  88.650% * 69.1408% (0.80   7.51 100.55) =  95.911%  kept
          QB    GLU- 114 - HN    GLN  116   5.09 +/- 0.26   8.719% * 29.9539% (0.69   3.79   0.31) =   4.087%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.70 +/- 1.01   2.321% *  0.0355% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  10.07 +/- 1.55   0.275% *  0.1922% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  14.33 +/- 2.12   0.021% *  0.0946% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.79 +/- 1.77   0.004% *  0.1922% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  20.95 +/- 1.18   0.002% *  0.1758% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.55 +/- 1.65   0.005% *  0.0455% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.81 +/- 1.61   0.002% *  0.0455% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.27 +/- 1.60   0.002% *  0.0455% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  30.62 +/- 1.88   0.000% *  0.0785% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.814, support = 8.41, residual support = 100.5:
          HG    LEU  115 - HN    GLN  116   2.99 +/- 1.18  70.458% * 43.3028% (0.73   8.53 100.55) =  65.351%  kept
          HB3   LEU  115 - HN    GLN  116   3.76 +/- 0.64  28.890% * 55.9920% (0.98   8.17 100.55) =  34.648%  kept
          QB    ALA  120 - HN    GLN  116   6.45 +/- 0.54   0.588% *  0.1015% (0.73   0.02   0.43) =   0.001%
          QG    LYS+  66 - HN    GLN  116  10.67 +/- 1.61   0.044% *  0.0525% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  14.59 +/- 2.76   0.009% *  0.1398% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.79 +/- 2.17   0.002% *  0.1370% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  14.87 +/- 2.07   0.007% *  0.0311% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  19.07 +/- 2.01   0.001% *  0.0681% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.95 +/- 1.69   0.001% *  0.0792% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.83 +/- 2.30   0.000% *  0.0960% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 100.5:
          QD1   LEU  115 - HN    GLN  116   4.01 +/- 0.35  99.976% * 99.6305% (0.49   7.61 100.55) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.69 +/- 1.25   0.024% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 9.99, residual support = 100.5:
          QD2   LEU  115 - HN    GLN  116   2.89 +/- 0.85  91.878% * 98.5878% (0.57   9.99 100.55) =  99.972%  kept
          QD1   LEU   63 - HN    GLN  116   7.24 +/- 1.51   6.669% *  0.3127% (0.90   0.02   0.02) =   0.023%
          QD2   LEU   63 - HN    GLN  116   7.75 +/- 1.24   1.407% *  0.2912% (0.84   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    GLN  116  14.23 +/- 1.65   0.020% *  0.1076% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.79 +/- 0.95   0.005% *  0.3127% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.34 +/- 1.89   0.011% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  17.45 +/- 1.23   0.006% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.43 +/- 1.28   0.002% *  0.1834% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.97 +/- 1.54   0.002% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.719, support = 1.46, residual support = 14.3:
          QD1   ILE  119 - HN    GLN  116   4.56 +/- 0.71  80.105% * 89.3828% (0.73   1.49  14.61) =  98.077%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.24 +/- 0.74  18.818% *  7.3647% (0.38   0.24   0.02) =   1.898%  kept
          QG2   VAL  108 - HN    GLN  116   9.72 +/- 0.67   0.998% *  1.6552% (1.00   0.02   0.02) =   0.023%
          HB2   LEU  104 - HN    GLN  116  15.14 +/- 1.75   0.079% *  1.5973% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.82 A violated in 0 structures by 0.02 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   3.37 +/- 0.25  99.931% * 94.6610% (0.90   0.75   2.23) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.01 +/- 0.72   0.036% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  13.99 +/- 1.97   0.033% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.226, support = 5.18, residual support = 100.0:
          HB2   GLN  116 - HN    LEU  115   4.63 +/- 0.15  97.558% * 67.4266% (0.22   5.20 100.55) =  99.414%  kept
          HB2   PRO   58 - HN    LEU  115  10.72 +/- 1.85   1.250% * 30.5423% (0.80   0.66   0.02) =   0.577%  kept
          HG2   PRO   52 - HN    LEU  115  12.18 +/- 2.40   0.947% *  0.5218% (0.45   0.02   0.02) =   0.007%
          HB3   PHE   97 - HN    LEU  115  13.16 +/- 1.42   0.231% *  0.3970% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.71 +/- 2.03   0.007% *  0.1796% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.91 +/- 1.59   0.006% *  0.1796% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.07 +/- 1.95   0.001% *  0.7530% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.36 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.798, support = 7.31, residual support = 222.6:
      O   HB2   LEU  115 - HN    LEU  115   2.09 +/- 0.10  86.616% * 82.4448% (0.80  10.0   7.37 227.96) =  97.471%  kept
          QB    GLU- 114 - HN    LEU  115   3.12 +/- 0.40  10.801% * 17.1501% (0.69   1.0   4.85  15.62) =   2.528%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.57 +/- 1.31   2.573% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  10.74 +/- 1.79   0.009% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  15.04 +/- 1.48   0.001% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.93 +/- 1.74   0.000% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  20.62 +/- 0.85   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.54 +/- 1.54   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.18 +/- 1.16   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.77 +/- 1.12   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.34 +/- 1.92   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.93, support = 7.46, residual support = 228.0:
      O   HB3   LEU  115 - HN    LEU  115   3.30 +/- 0.20  53.206% * 77.9168% (0.98  10.0   7.44 227.96) =  80.427%  kept
          HG    LEU  115 - HN    LEU  115   3.45 +/- 0.57  46.529% * 21.6822% (0.73   1.0   7.51 227.96) =  19.572%  kept
          QB    ALA  120 - HN    LEU  115   8.17 +/- 0.40   0.222% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.02 +/- 1.42   0.026% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  15.49 +/- 2.18   0.006% *  0.0795% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.54 +/- 1.46   0.002% *  0.0779% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  15.63 +/- 1.47   0.005% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.21 +/- 1.36   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.99 +/- 1.40   0.001% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.01 +/- 2.33   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.529, support = 1.82, residual support = 8.13:
          QG2   VAL  107 - HN    LEU  115   3.31 +/- 0.73  93.725% * 63.5027% (0.53   1.84   8.11) =  98.318%  kept
          HG13  ILE  119 - HN    LEU  115   7.78 +/- 0.90   3.075% * 32.8855% (0.73   0.69   9.23) =   1.670%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.53 +/- 1.05   3.120% *  0.2021% (0.15   0.02   2.23) =   0.010%
          HG2   LYS+ 121 - HN    LEU  115  11.91 +/- 0.85   0.067% *  1.0010% (0.76   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LEU  115  18.88 +/- 1.30   0.006% *  1.3069% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  16.52 +/- 1.43   0.007% *  0.2021% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.33 +/- 1.18   0.001% *  0.8997% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.08 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.01, residual support = 227.9:
          QD2   LEU  115 - HN    LEU  115   3.77 +/- 0.62  96.086% * 98.8170% (0.65   9.01 227.96) =  99.996%  kept
          QD1   LEU   63 - HN    LEU  115   7.30 +/- 1.05   3.772% *  0.1047% (0.31   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LEU  115  13.98 +/- 1.27   0.055% *  0.3042% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  14.61 +/- 1.91   0.055% *  0.1157% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  20.29 +/- 2.19   0.007% *  0.3208% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.17 +/- 1.40   0.008% *  0.2330% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.06 +/- 0.79   0.015% *  0.1047% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 228.0:
          QD1   LEU  115 - HN    LEU  115   3.65 +/- 0.49  99.971% * 99.6807% (0.80   7.38 227.96) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.34 +/- 1.41   0.029% *  0.3193% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.553, support = 6.76, residual support = 135.8:
      O   HB    ILE  103 - HN    ILE  103   2.18 +/- 0.23  83.098% * 65.0030% (0.53  10.0   6.74 135.77) =  90.357%  kept
          HG12  ILE  103 - HN    ILE  103   2.96 +/- 0.29  16.817% * 34.2780% (0.80   1.0   6.93 135.77) =   9.643%  kept
          HB    VAL   41 - HN    ILE  103   9.05 +/- 1.75   0.024% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.09 +/- 3.51   0.013% *  0.0699% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.33 +/- 0.42   0.016% *  0.0554% (0.45   1.0   0.02   2.36) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.55 +/- 1.12   0.031% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.13 +/- 2.04   0.001% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  20.94 +/- 3.80   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.41 +/- 1.04   0.000% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.00 +/- 2.51   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.45 +/- 0.88   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  24.14 +/- 2.28   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  23.77 +/- 2.82   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.75 +/- 1.86   0.000% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 6.11, residual support = 135.8:
          HG13  ILE  103 - HN    ILE  103   3.99 +/- 0.20  99.569% * 98.5162% (0.65   6.11 135.77) =  99.999%  kept
          HG2   LYS+ 121 - HN    ILE  103  14.37 +/- 4.19   0.180% *  0.4811% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  13.25 +/- 0.49   0.078% *  0.4941% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  12.67 +/- 2.24   0.154% *  0.0873% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.95 +/- 0.86   0.007% *  0.3225% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.81 +/- 2.54   0.012% *  0.0987% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.12 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.851, support = 6.09, residual support = 135.8:
          QG2   ILE  103 - HN    ILE  103   3.55 +/- 0.16  52.282% * 70.2802% (1.00   6.24 135.77) =  73.082%  kept
          QD1   ILE  103 - HN    ILE  103   3.61 +/- 0.52  47.023% * 28.7773% (0.45   5.69 135.77) =  26.915%  kept
          QD2   LEU   40 - HN    ILE  103   7.57 +/- 0.59   0.633% *  0.2176% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  12.83 +/- 1.67   0.036% *  0.2210% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.33 +/- 0.85   0.014% *  0.1276% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.84 +/- 2.60   0.007% *  0.0627% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  17.54 +/- 1.65   0.004% *  0.0927% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.60 +/- 1.01   0.001% *  0.2210% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.45, support = 7.41, residual support = 218.0:
          HG    LEU  104 - HN    LEU  104   3.24 +/- 0.44  96.161% * 85.8599% (0.45   7.44 219.12) =  99.497%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.03 +/- 0.73   3.359% * 12.4030% (0.69   0.70   0.02) =   0.502%  kept
          HB3   LYS+ 121 - HN    LEU  104  10.21 +/- 3.94   0.462% *  0.2307% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LEU  104  18.16 +/- 1.31   0.005% *  0.5099% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.87 +/- 2.73   0.008% *  0.2913% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.52 +/- 1.14   0.004% *  0.3120% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  22.91 +/- 1.88   0.001% *  0.3932% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.272, support = 6.94, residual support = 142.8:
      O   HB2   LEU  104 - HN    LEU  104   2.73 +/- 0.35  39.893% * 66.8389% (0.22  10.0   7.38 219.12) =  58.107%  kept
          QG2   ILE  103 - HN    LEU  104   2.46 +/- 0.56  59.398% * 32.3618% (0.34   1.0   6.32  37.00) =  41.890%  kept
          QD2   LEU   40 - HN    LEU  104   5.44 +/- 0.75   0.684% *  0.1461% (0.49   1.0   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    LEU  104   9.84 +/- 1.76   0.021% *  0.1346% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  13.39 +/- 2.49   0.004% *  0.1461% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  16.12 +/- 1.24   0.001% *  0.2976% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  19.15 +/- 0.90   0.000% *  0.0749% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.787, support = 7.6, residual support = 194.0:
          QD2   LEU  104 - HN    LEU  104   3.01 +/- 0.69  79.260% * 65.9857% (0.80   7.98 219.12) =  88.199%  kept
          QD1   LEU   98 - HN    LEU  104   4.12 +/- 0.75  20.720% * 33.7710% (0.69   4.76   6.17) =  11.800%  kept
          QD1   ILE   19 - HN    LEU  104  15.54 +/- 1.38   0.006% *  0.1336% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.41 +/- 1.37   0.007% *  0.0637% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  15.09 +/- 1.01   0.007% *  0.0460% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.68, support = 7.34, residual support = 55.5:
          HB2   PHE   97 - HN    ASP- 105   2.34 +/- 0.54  93.529% * 79.4548% (0.69   7.38  56.05) =  98.352%  kept
          QE    LYS+ 106 - HN    ASP- 105   4.89 +/- 0.98   6.332% * 19.6623% (0.25   5.03  21.79) =   1.648%  kept
          QE    LYS+  99 - HN    ASP- 105   8.21 +/- 1.20   0.089% *  0.2811% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.15 +/- 0.75   0.044% *  0.1289% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.41 +/- 1.09   0.002% *  0.2028% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.33 +/- 1.76   0.002% *  0.2276% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.48 +/- 1.75   0.002% *  0.0424% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.29, residual support = 56.1:
          HB3   PHE   97 - HN    ASP- 105   3.26 +/- 0.90  99.823% * 98.6396% (0.90   5.29  56.05) =  99.999%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.53 +/- 1.01   0.134% *  0.4157% (1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    ASP- 105  15.21 +/- 1.33   0.022% *  0.4075% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.54 +/- 2.06   0.007% *  0.1864% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.61 +/- 1.29   0.010% *  0.1156% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  22.31 +/- 1.35   0.003% *  0.2353% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 2 structures by 0.16 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.78, residual support = 42.7:
      O   HB2   ASP- 105 - HN    ASP- 105   3.48 +/- 0.34  99.676% * 99.3924% (0.80  10.0   4.78  42.74) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  11.89 +/- 2.71   0.143% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.93 +/- 1.02   0.055% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.51 +/- 0.77   0.060% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.39 +/- 0.74   0.040% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.32 +/- 1.26   0.006% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.87 +/- 1.31   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.04 +/- 1.28   0.009% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  22.05 +/- 1.28   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  20.53 +/- 1.76   0.003% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  20.77 +/- 1.84   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.766, support = 4.66, residual support = 42.5:
      O   HB3   ASP- 105 - HN    ASP- 105   2.79 +/- 0.29  95.488% * 76.7748% (0.76  10.0   4.67  42.74) =  98.960%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.07 +/- 0.33   3.427% * 22.4684% (0.98   1.0   4.56  21.79) =   1.039%  kept
          HB    ILE  103 - HN    ASP- 105   6.26 +/- 0.56   1.060% *  0.0690% (0.69   1.0   0.02   2.36) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  16.95 +/- 2.47   0.009% *  0.0650% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  15.52 +/- 1.09   0.004% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.41 +/- 1.46   0.003% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  17.21 +/- 0.90   0.002% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.63 +/- 1.11   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  16.97 +/- 1.46   0.003% *  0.0377% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  22.62 +/- 1.54   0.000% *  0.0927% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  23.35 +/- 2.06   0.000% *  0.0970% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.97 +/- 1.54   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.62 +/- 1.74   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.507, support = 5.8, residual support = 36.1:
          HG    LEU  104 - HN    ASP- 105   4.26 +/- 0.75  66.040% * 50.8776% (0.45   6.41  40.75) =  75.342%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.38 +/- 0.56  22.908% * 47.9269% (0.69   3.94  21.79) =  24.619%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.96 +/- 3.77  10.944% *  0.1587% (0.45   0.02   0.02) =   0.039%
          HB3   LYS+ 111 - HN    ASP- 105  14.73 +/- 2.80   0.077% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  19.11 +/- 1.22   0.011% *  0.3509% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.44 +/- 0.79   0.017% *  0.2148% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  22.76 +/- 1.81   0.004% *  0.2706% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.233, support = 6.02, residual support = 37.4:
          HB2   LEU  104 - HN    ASP- 105   2.31 +/- 0.56  83.962% * 63.9545% (0.22   6.39  40.75) =  91.215%  kept
          QG2   ILE  103 - HN    ASP- 105   3.52 +/- 0.42  15.360% * 33.6506% (0.34   2.19   2.36) =   8.780%  kept
          QD2   LEU   40 - HN    ASP- 105   5.65 +/- 0.78   0.618% *  0.4379% (0.49   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    ASP- 105   8.64 +/- 1.84   0.046% *  0.4033% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  11.40 +/- 2.15   0.011% *  0.4379% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.85 +/- 1.39   0.002% *  0.8916% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.25 +/- 0.95   0.000% *  0.2243% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.82, residual support = 21.8:
          HB2   ASP- 105 - HN    LYS+ 106   2.99 +/- 0.45  99.392% * 97.8233% (0.98   3.82  21.79) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   8.07 +/- 0.66   0.508% *  0.1611% (0.31   0.02   2.14) =   0.001%
          HG12  ILE  119 - HN    LYS+ 106  10.70 +/- 2.05   0.082% *  0.2145% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.39 +/- 1.13   0.008% *  0.4680% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.85 +/- 0.95   0.005% *  0.3988% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.62 +/- 1.47   0.001% *  0.4359% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.96 +/- 1.28   0.001% *  0.4179% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  18.77 +/- 1.20   0.002% *  0.0805% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.969, support = 5.31, residual support = 129.9:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.24 +/- 0.16  73.139% * 86.3849% (0.98  10.0   5.39 135.76) =  94.853%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.90 +/- 0.33  26.468% * 12.9512% (0.76   1.0   3.85  21.79) =   5.146%  kept
          HB    ILE  103 - HN    LYS+ 106   8.26 +/- 0.76   0.351% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.85 +/- 1.19   0.015% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.10 +/- 1.15   0.013% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  18.97 +/- 2.79   0.004% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.90 +/- 0.78   0.001% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  20.37 +/- 1.13   0.001% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.46 +/- 1.00   0.002% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.83 +/- 1.24   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.70 +/- 1.26   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  22.62 +/- 1.89   0.001% *  0.0851% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.22 +/- 1.29   0.003% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.65, residual support = 2.99:
          QG2   THR  118 - HN    LYS+ 106   4.61 +/- 2.32 100.000% *100.0000% (0.53   2.65   2.99) = 100.000%  kept
    Distance limit 4.64 A violated in 4 structures by 0.87 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.5:
          HB2   PHE   95 - HN    VAL  107   2.62 +/- 0.74 100.000% *100.0000% (1.00   2.31  45.49) = 100.000%  kept
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.0:
      O   HB    VAL  107 - HN    VAL  107   2.54 +/- 0.35  99.937% * 99.7350% (0.99  10.0   3.33  60.04) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.56 +/- 0.88   0.038% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.03 +/- 1.09   0.023% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.98 +/- 0.71   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  19.50 +/- 1.10   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.83 +/- 1.09   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.14, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.18 +/- 0.16  98.092% * 95.3429% (0.53   5.14  26.84) =  99.995%  kept
          HB3   ASP- 105 - HN    VAL  107   6.42 +/- 0.37   1.608% *  0.1759% (0.25   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    VAL  107  10.33 +/- 1.31   0.107% *  0.6512% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.19 +/- 1.44   0.077% *  0.6327% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.80 +/- 1.04   0.082% *  0.1396% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.07 +/- 1.42   0.011% *  0.5123% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.41 +/- 0.89   0.004% *  0.6915% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  17.69 +/- 1.39   0.004% *  0.2900% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.64 +/- 0.86   0.001% *  0.6992% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  16.89 +/- 1.36   0.005% *  0.1571% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  20.08 +/- 1.45   0.002% *  0.3434% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  18.29 +/- 2.25   0.005% *  0.1235% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.25 +/- 0.64   0.002% *  0.2406% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.1, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   2.83 +/- 0.56  99.809% * 91.1612% (0.20   4.10  60.04) =  99.997%  kept
          HG13  ILE  119 - HN    VAL  107   9.66 +/- 1.45   0.105% *  2.2246% (0.99   0.02   0.40) =   0.003%
          HG2   LYS+ 121 - HN    VAL  107  10.90 +/- 2.14   0.052% *  0.5597% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.19 +/- 1.51   0.021% *  1.3613% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.30 +/- 0.92   0.003% *  2.2395% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.14 +/- 2.20   0.006% *  1.0925% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.12 +/- 0.76   0.004% *  1.3613% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 4.6, residual support = 64.7:
      O   HB    VAL  108 - HN    VAL  108   2.92 +/- 0.43  99.684% * 99.4150% (0.95  10.0   4.60  64.74) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   9.42 +/- 1.61   0.152% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  10.87 +/- 1.28   0.054% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.49 +/- 2.53   0.082% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.24 +/- 1.81   0.008% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.87 +/- 1.67   0.017% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.74 +/- 1.59   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.58 +/- 0.83   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.54 +/- 1.89   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.62 +/- 2.81   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.16 +/- 2.97   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.58 +/- 2.54   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 18.9:
          QG2   VAL  107 - HN    VAL  108   3.36 +/- 0.23  99.784% * 92.9874% (0.28   3.64  18.93) =  99.997%  kept
          HG13  ILE  119 - HN    VAL  108  11.59 +/- 0.98   0.089% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    VAL  108  12.69 +/- 1.99   0.053% *  0.8950% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  108  12.49 +/- 1.40   0.057% *  0.6272% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.17 +/- 1.72   0.007% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.29 +/- 1.27   0.003% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  17.60 +/- 2.29   0.007% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.66, residual support = 18.9:
          QG1   VAL  107 - HN    VAL  108   3.97 +/- 0.32  99.328% * 95.7591% (0.25   4.66  18.93) =  99.990%  kept
          HG    LEU   63 - HN    VAL  108  11.62 +/- 2.17   0.384% *  1.5915% (0.97   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - HN    VAL  108  11.20 +/- 1.12   0.264% *  1.0002% (0.61   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    VAL  108  17.73 +/- 2.14   0.024% *  1.6491% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 2 structures by 0.52 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.5:
      O   HA    VAL   75 - HN    ASP-  76   2.19 +/- 0.01  99.998% * 99.6957% (0.69  10.0   4.64  27.45) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  13.82 +/- 0.99   0.002% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.67 +/- 1.43   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.99 +/- 0.97   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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   2.60 +/- 0.56  99.605% * 99.7699% (1.00  10.0   3.72  36.19) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.06 +/- 0.82   0.372% *  0.0724% (0.73   1.0   0.02   3.06) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.50 +/- 0.83   0.018% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.25 +/- 1.36   0.005% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.96 +/- 0.52   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.01 +/- 1.10   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.76, residual support = 36.2:
      O   HB3   ASP-  76 - HN    ASP-  76   2.88 +/- 0.48  99.725% * 97.9021% (0.28  10.0   3.76  36.19) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.68 +/- 0.32   0.180% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  12.12 +/- 1.32   0.032% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  12.94 +/- 0.82   0.019% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.30 +/- 0.76   0.022% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.58 +/- 1.50   0.008% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  16.28 +/- 1.79   0.007% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.28 +/- 1.56   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.17 +/- 1.13   0.003% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.30 +/- 1.23   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  24.27 +/- 1.49   0.000% *  0.0784% (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 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.5:
          QG1   VAL   75 - HN    ASP-  76   3.11 +/- 0.26  99.991% * 99.7156% (0.69   4.97  27.45) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.31 +/- 1.50   0.009% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 27.5:
          QG2   VAL   75 - HN    ASP-  76   4.08 +/- 0.35  99.844% * 99.6074% (0.98   4.64  27.45) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  12.53 +/- 0.82   0.156% *  0.3926% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.33:
      O   HA2   GLY  109 - HN    GLY  109   2.58 +/- 0.26  99.892% * 99.3336% (0.43  10.0   2.20   9.33) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.07 +/- 1.81   0.057% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.04 +/- 2.68   0.031% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  12.82 +/- 1.60   0.013% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  15.32 +/- 1.93   0.004% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.76 +/- 1.80   0.004% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.678, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   7.01 +/- 1.36  79.033% * 20.3763% (0.70   0.02   0.02) =  86.524%  kept
          HG12  ILE   89 - HN    GLY  109  13.48 +/- 2.97   6.857% * 21.3024% (0.73   0.02   0.02) =   7.848%  kept
          HG2   LYS+  74 - HN    GLY  109  14.39 +/- 2.72   4.407% * 13.3882% (0.46   0.02   0.02) =   3.170%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.35 +/- 1.59   9.074% *  4.3683% (0.15   0.02   0.02) =   2.130%  kept
          HG    LEU   71 - HN    GLY  109  21.10 +/- 2.08   0.158% * 14.2794% (0.49   0.02   0.02) =   0.121%
          HG3   LYS+  99 - HN    GLY  109  21.80 +/- 1.12   0.119% * 12.4970% (0.43   0.02   0.02) =   0.080%
          HG13  ILE   19 - HN    GLY  109  21.63 +/- 2.48   0.153% *  8.2844% (0.28   0.02   0.02) =   0.068%
          HB3   LEU   71 - HN    GLY  109  20.36 +/- 2.13   0.199% *  5.5041% (0.19   0.02   0.02) =   0.059%
    Distance limit 4.57 A violated in 17 structures by 2.05 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 = 7.48:
          QG1   VAL  108 - HN    GLY  109   2.51 +/- 0.31  99.595% * 98.9381% (0.65   3.09   7.48) =  99.999%  kept
          HB3   LEU   63 - HN    GLY  109  13.39 +/- 2.85   0.391% *  0.2517% (0.26   0.02   0.02) =   0.001%
          QD1   LEU   40 - HN    GLY  109  14.79 +/- 1.40   0.007% *  0.5069% (0.52   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  15.64 +/- 1.72   0.007% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 6.41:
      O   HA2   GLY  109 - HN    ALA  110   2.88 +/- 0.36  99.883% * 99.3336% (0.57  10.0   2.20   6.41) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.25 +/- 1.61   0.067% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  12.91 +/- 2.03   0.028% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  15.38 +/- 2.57   0.014% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  16.81 +/- 1.84   0.004% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  17.16 +/- 2.67   0.004% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.259, support = 0.706, residual support = 4.54:
          HG2   PRO   93 - HN    ALA  110   6.85 +/- 3.36  57.302% * 54.6666% (0.22   0.75   4.83) =  94.022%  kept
          HB3   PRO   52 - HN    ALA  110   7.54 +/- 2.58  26.523% *  6.4182% (0.98   0.02   0.02) =   5.109%  kept
          QB    LYS+ 106 - HN    ALA  110   8.86 +/- 1.00  10.890% *  1.2958% (0.20   0.02   0.02) =   0.424%
          HB3   GLN   90 - HN    ALA  110  14.93 +/- 2.18   1.982% *  1.8205% (0.28   0.02   0.02) =   0.108%
          HG2   ARG+  54 - HN    ALA  110  13.11 +/- 2.73   0.819% *  3.1872% (0.49   0.02   0.02) =   0.078%
          HB3   ASP- 105 - HN    ALA  110  13.74 +/- 1.51   0.858% *  2.9356% (0.45   0.02   0.02) =   0.076%
          QB    LYS+  66 - HN    ALA  110  15.80 +/- 2.70   0.633% *  2.9356% (0.45   0.02   0.02) =   0.056%
          HG    LEU  123 - HN    ALA  110  17.96 +/- 1.91   0.213% *  6.4182% (0.98   0.02   0.02) =   0.041%
          HG12  ILE  103 - HN    ALA  110  17.52 +/- 1.51   0.219% *  5.2431% (0.80   0.02   0.02) =   0.035%
          HB    ILE  103 - HN    ALA  110  17.51 +/- 1.32   0.241% *  3.4450% (0.53   0.02   0.02) =   0.025%
          HB    VAL   41 - HN    ALA  110  19.44 +/- 1.75   0.091% *  4.2358% (0.65   0.02   0.02) =   0.012%
          HG3   PRO   68 - HN    ALA  110  23.76 +/- 3.70   0.072% *  3.7071% (0.57   0.02   0.02) =   0.008%
          QB    LYS+  81 - HN    ALA  110  19.64 +/- 1.76   0.136% *  1.4578% (0.22   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    ALA  110  24.78 +/- 2.01   0.021% *  2.2335% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 9 structures by 1.52 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 +/- 0.22  99.583% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.60 +/- 1.87   0.392% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.42 +/- 2.92   0.013% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  15.98 +/- 2.68   0.004% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.97 +/- 2.45   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.03 +/- 2.57   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.35 +/- 3.04   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.14 +/- 2.76   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.24 +/- 2.07   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.45 +/- 2.94   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.52 +/- 3.23   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.75 +/- 1.61   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 315.1:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.27 +/- 0.50  66.151% * 99.3619% (1.00  10.0   7.06 315.22) =  99.973%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.92 +/- 1.12  33.711% *  0.0524% (0.53   1.0   0.02   0.02) =   0.027%
          HB    ILE  119 - HN    LYS+ 111  10.29 +/- 1.59   0.131% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  23.03 +/- 2.90   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.25 +/- 2.91   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.90 +/- 2.36   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  21.83 +/- 2.49   0.002% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.04 +/- 3.20   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.86 +/- 2.56   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.90 +/- 2.78   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.33 +/- 2.12   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.55 +/- 1.92   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 315.2:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.67 +/- 0.52  99.966% * 99.4649% (0.92  10.0   5.47 315.22) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.77 +/- 1.37   0.008% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.50 +/- 1.76   0.013% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  15.86 +/- 3.21   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.10 +/- 2.26   0.004% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.53 +/- 2.17   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.94 +/- 2.75   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.97 +/- 2.01   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.32 +/- 2.42   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.2:
          HG3   LYS+ 111 - HN    LYS+ 111   3.29 +/- 0.54  99.464% * 98.8205% (0.92   6.55 315.22) = 100.000%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.44 +/- 0.60   0.495% *  0.0647% (0.20   0.02  27.53) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.77 +/- 3.19   0.025% *  0.1983% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  17.30 +/- 2.50   0.010% *  0.3156% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.02 +/- 2.55   0.002% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  23.14 +/- 2.04   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.47 +/- 2.62   0.001% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.22 +/- 2.54   0.002% *  0.0815% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.15 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.14, residual support = 2.14:
          QD1   ILE   56 - HN    LYS+ 111   5.58 +/- 3.26  93.407% * 97.4600% (0.76   2.14   2.14) =  99.943%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.21 +/- 1.68   3.137% *  1.1486% (0.97   0.02   0.02) =   0.040%
          QD2   LEU  123 - HN    LYS+ 111  15.00 +/- 1.20   2.288% *  0.4060% (0.34   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    LYS+ 111  16.60 +/- 2.05   1.044% *  0.5793% (0.49   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    LYS+ 111  23.68 +/- 2.21   0.124% *  0.4060% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 7 structures by 1.99 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.73, residual support = 230.9:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.79 +/- 0.06  99.984% * 99.8622% (0.87  10.0   5.73 230.85) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  14.27 +/- 2.75   0.014% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.20 +/- 1.04   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  28.81 +/- 2.96   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 27.5:
          HB2   LYS+ 111 - HN    LYS+ 112   3.71 +/- 0.40  87.886% * 97.8516% (0.87   7.06  27.53) =  99.987%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.33 +/- 0.28  11.510% *  0.0888% (0.28   0.02   0.02) =   0.012%
          HB    ILE  119 - HN    LYS+ 112  10.00 +/- 0.88   0.304% *  0.1555% (0.49   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LYS+ 112  11.40 +/- 0.76   0.137% *  0.0888% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.54 +/- 1.53   0.151% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.55 +/- 1.73   0.002% *  0.3195% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.30 +/- 2.02   0.002% *  0.2558% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.50 +/- 1.57   0.001% *  0.2558% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.67 +/- 1.85   0.001% *  0.2558% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.30 +/- 1.51   0.001% *  0.1555% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.12 +/- 1.67   0.002% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.31 +/- 2.08   0.002% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.91 +/- 1.32   0.000% *  0.1809% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.95 +/- 2.90   0.000% *  0.1938% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 5.72, residual support = 230.9:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.64 +/- 0.60  99.740% * 98.9690% (0.76  10.0   5.72 230.85) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112  10.44 +/- 3.26   0.241% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.88 +/- 1.76   0.008% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.51 +/- 1.02   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.14 +/- 1.83   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.15 +/- 1.36   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.89 +/- 0.54   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.68 +/- 1.76   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.12 +/- 2.62   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.12 +/- 2.27   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.04 +/- 2.42   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.62 +/- 2.97   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.49 +/- 1.20   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.891, support = 5.67, residual support = 230.8:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.86 +/- 0.64  90.423% * 84.5032% (0.90  10.0   5.66 230.85) =  98.539%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.94 +/- 0.42   7.400% * 15.3005% (0.49   1.0   6.67 230.85) =   1.460%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.14 +/- 0.61   2.132% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  11.27 +/- 0.93   0.042% *  0.0817% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.94 +/- 1.10   0.002% *  0.0571% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.90 +/- 1.40   0.001% *  0.0387% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 230.8:
          HG2   LYS+ 112 - HN    LYS+ 112   3.52 +/- 0.60  99.636% * 98.1758% (0.34   6.23 230.85) =  99.997%  kept
          QB    ALA   47 - HN    LYS+ 112  12.49 +/- 2.34   0.295% *  0.7398% (0.80   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    LYS+ 112  14.26 +/- 1.12   0.037% *  0.6347% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.11 +/- 1.45   0.031% *  0.4497% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 8.55:
          QD1   ILE   56 - HN    LYS+ 112   5.41 +/- 2.03  97.736% * 96.8844% (0.76   1.74   8.55) =  99.980%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.59 +/- 1.05   0.754% *  1.4090% (0.97   0.02   0.02) =   0.011%
          QD2   LEU  123 - HN    LYS+ 112  14.40 +/- 1.23   1.021% *  0.4980% (0.34   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LYS+ 112  18.03 +/- 1.83   0.451% *  0.7106% (0.49   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+ 112  26.14 +/- 1.91   0.038% *  0.4980% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 7 structures by 1.52 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 230.8:
          HG3   LYS+ 112 - HN    LYS+ 112   3.39 +/- 0.33  99.698% * 99.2179% (0.87   5.94 230.85) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  12.68 +/- 1.47   0.046% *  0.3774% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.62 +/- 0.79   0.253% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  22.61 +/- 2.70   0.002% *  0.3453% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.04, residual support = 14.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.05  99.967% * 99.8622% (0.74  10.0   5.04  14.58) = 100.000%  kept
          HB    THR   46 - HN    ASP- 113  16.09 +/- 2.50   0.022% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    ASP- 113  16.41 +/- 0.86   0.011% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  30.33 +/- 2.44   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 3.33, residual support = 14.0:
      O   QB    ASP- 113 - HN    ASP- 113   2.12 +/- 0.08 100.000% *100.0000% (0.82  10.0   3.33  13.98) = 100.000%  kept
    Distance limit 3.11 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 = 2.83, residual support = 21.6:
          QG    GLU- 114 - HN    ASP- 113   4.79 +/- 0.46  95.760% * 93.4790% (0.26   2.83  21.62) =  99.933%  kept
          HG2   PRO   52 - HN    ASP- 113  12.20 +/- 3.22   2.847% *  1.6350% (0.65   0.02   0.02) =   0.052%
          HB2   PRO   58 - HN    ASP- 113  12.35 +/- 2.09   1.141% *  1.0413% (0.41   0.02   0.02) =   0.013%
          HG2   MET   92 - HN    ASP- 113  14.41 +/- 2.86   0.247% *  0.5335% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  25.94 +/- 2.78   0.005% *  0.8029% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.04 +/- 2.43   0.001% *  1.9749% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  35.60 +/- 1.55   0.001% *  0.5335% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 1 structures by 0.23 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.772, support = 2.3, residual support = 7.24:
          HB2   LYS+ 111 - HN    ASP- 113   3.56 +/- 0.58  76.857% * 53.4005% (0.85   2.08   3.75) =  80.498%  kept
          QB    GLU- 114 - HN    ASP- 113   4.44 +/- 0.23  22.820% * 43.5725% (0.45   3.22  21.62) =  19.502%  kept
          HB    ILE  119 - HN    ASP- 113   9.10 +/- 0.63   0.316% *  0.1283% (0.21   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP- 113  23.44 +/- 1.54   0.001% *  0.4615% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  24.15 +/- 1.60   0.001% *  0.5044% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.77 +/- 1.39   0.001% *  0.5044% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  23.04 +/- 1.94   0.002% *  0.1932% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  23.99 +/- 1.23   0.001% *  0.2307% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.56 +/- 1.40   0.000% *  0.2708% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.32 +/- 2.48   0.000% *  0.4464% (0.74   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.10 +/- 1.21   0.001% *  0.1283% (0.21   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.48 +/- 1.56   0.000% *  0.1588% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 4.95, residual support = 14.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.39 +/- 0.22  99.763% * 95.9594% (0.65   4.95  14.58) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  12.04 +/- 3.13   0.166% *  0.0783% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.46 +/- 2.05   0.043% *  0.1905% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  15.18 +/- 1.08   0.014% *  0.3283% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  19.44 +/- 1.22   0.003% *  0.4685% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.68 +/- 1.41   0.003% *  0.4685% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.83 +/- 0.58   0.003% *  0.3486% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.67 +/- 1.38   0.001% *  0.4403% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  21.54 +/- 2.19   0.002% *  0.2087% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.52 +/- 2.34   0.001% *  0.4239% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  29.49 +/- 2.21   0.000% *  0.4685% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.26 +/- 2.76   0.001% *  0.1266% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.02 +/- 1.01   0.000% *  0.4898% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.737, support = 4.61, residual support = 14.6:
          HB3   LYS+ 112 - HN    ASP- 113   3.67 +/- 0.38  84.945% * 58.7851% (0.76   4.51  14.58) =  92.175%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.91 +/- 0.86  10.432% * 40.6095% (0.41   5.74  14.58) =   7.820%  kept
          QG2   VAL  107 - HN    ASP- 113   6.25 +/- 0.50   4.529% *  0.0575% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  11.89 +/- 1.05   0.089% *  0.2521% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  19.83 +/- 1.17   0.004% *  0.1763% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.19 +/- 1.26   0.001% *  0.1195% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.3, residual support = 21.6:
      O   HA    ASP- 113 - HN    GLU- 114   3.60 +/- 0.04  99.446% * 99.6702% (1.00  10.0   3.30  21.62) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.66 +/- 1.33   0.374% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.82 +/- 1.03   0.160% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.77 +/- 0.44   0.014% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.54 +/- 1.22   0.002% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  22.58 +/- 2.62   0.002% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.92 +/- 1.26   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 21.6:
          QB    ASP- 113 - HN    GLU- 114   2.61 +/- 0.19  99.993% * 99.8604% (0.97   3.30  21.62) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.36 +/- 1.05   0.007% *  0.1396% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.41, residual support = 44.3:
          QG    GLU- 114 - HN    GLU- 114   2.82 +/- 0.46  99.866% * 97.7317% (0.84   4.41  44.33) =  99.999%  kept
          HG2   PRO   52 - HN    GLU- 114  12.60 +/- 2.83   0.120% *  0.5203% (0.98   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    GLU- 114  14.08 +/- 2.62   0.013% *  0.4057% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.33 +/- 2.50   0.000% *  0.4761% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  32.79 +/- 2.15   0.000% *  0.4605% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.81 +/- 1.28   0.000% *  0.4057% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.838, support = 3.79, residual support = 42.3:
      O   QB    GLU- 114 - HN    GLU- 114   2.20 +/- 0.12  69.024% * 89.8058% (0.84  10.0   3.88  44.33) =  95.406%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.00 +/- 1.11  30.976% *  9.6352% (0.90   1.0   2.00   0.02) =   4.594%  kept
          HG2   PRO   68 - HN    GLU- 114  21.99 +/- 2.00   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  22.84 +/- 1.01   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  23.53 +/- 1.23   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.44 +/- 1.56   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.79 +/- 1.15   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.11 +/- 2.15   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.15 +/- 1.21   0.000% *  0.0268% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0199, residual support = 0.0199:
          HB3   LYS+ 111 - HN    GLU- 114   3.55 +/- 0.64  99.556% * 15.6743% (0.92   0.02   0.02) =  99.700%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.53 +/- 0.83   0.122% * 16.6435% (0.98   0.02   0.02) =   0.130%
          HD2   LYS+ 121 - HN    GLU- 114  11.26 +/- 1.74   0.255% *  6.9806% (0.41   0.02   0.02) =   0.114%
          QD    LYS+  66 - HN    GLU- 114  14.73 +/- 1.58   0.033% * 13.5963% (0.80   0.02   0.02) =   0.029%
          HD3   LYS+  74 - HN    GLU- 114  17.77 +/- 2.17   0.015% * 15.2279% (0.90   0.02   0.02) =   0.015%
          HG    LEU  104 - HN    GLU- 114  17.90 +/- 1.38   0.008% * 16.6435% (0.98   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HN    GLU- 114  18.88 +/- 1.22   0.007% *  5.7919% (0.34   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    GLU- 114  23.36 +/- 1.00   0.002% *  4.7210% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    GLU- 114  29.16 +/- 1.38   0.001% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.517, support = 1.47, residual support = 5.39:
          QG2   VAL  107 - HN    GLU- 114   4.64 +/- 0.35  88.879% * 76.1613% (0.53   1.48   5.53) =  97.561%  kept
          HD3   LYS+ 112 - HN    GLU- 114   7.05 +/- 0.67   9.656% * 17.3101% (0.15   1.14   0.02) =   2.409%  kept
          HG13  ILE  119 - HN    GLU- 114   9.99 +/- 0.87   1.168% *  1.4239% (0.73   0.02   0.02) =   0.024%
          HG2   LYS+ 121 - HN    GLU- 114  12.89 +/- 1.14   0.245% *  1.4986% (0.76   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    GLU- 114  20.70 +/- 1.45   0.013% *  1.9566% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  17.52 +/- 1.19   0.037% *  0.3026% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.98 +/- 1.10   0.003% *  1.3470% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.25 +/- 0.33  99.975% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  14.57 +/- 2.50   0.022% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  21.90 +/- 4.69   0.002% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.56 +/- 2.04   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.56 +/- 2.33   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.36 +/- 2.79   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.84 +/- 0.21  99.996% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  17.19 +/- 3.06   0.004% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.85 +/- 1.26   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.8:
      O   HA    GLU- 100 - HN    GLU- 100   2.21 +/- 0.08  99.997% * 99.4046% (0.57  10.0   6.39  75.82) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  13.25 +/- 2.15   0.003% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  22.52 +/- 4.45   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  26.37 +/- 1.55   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.84 +/- 2.10   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.50 +/- 2.33   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.32, residual support = 75.8:
          HG3   GLU- 100 - HN    GLU- 100   3.02 +/- 0.48  99.935% * 97.4478% (0.69   4.32  75.82) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  12.15 +/- 1.80   0.050% *  0.6443% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  16.12 +/- 1.56   0.007% *  0.6443% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  20.42 +/- 2.29   0.002% *  0.6218% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.42 +/- 2.48   0.005% *  0.1463% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.47 +/- 4.27   0.001% *  0.1301% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.30 +/- 2.14   0.001% *  0.1828% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.83 +/- 2.72   0.000% *  0.1828% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 40.0:
          HB2   LYS+  99 - HN    GLU- 100   4.37 +/- 0.20  99.752% * 99.1245% (0.73   5.60  39.97) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.44 +/- 1.27   0.241% *  0.4069% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  26.06 +/- 1.78   0.003% *  0.3723% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  24.02 +/- 3.16   0.005% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.37, residual support = 40.0:
          HG2   LYS+  99 - HN    GLU- 100   3.10 +/- 0.33  98.736% * 98.3903% (0.90   6.37  39.97) =  99.996%  kept
          HG2   LYS+  38 - HN    GLU- 100   7.07 +/- 1.54   1.161% *  0.3324% (0.97   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    GLU- 100  11.16 +/- 2.24   0.088% *  0.1950% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.62 +/- 1.43   0.003% *  0.2089% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  17.09 +/- 1.71   0.005% *  0.1063% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.82 +/- 1.36   0.005% *  0.0767% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  22.29 +/- 2.92   0.001% *  0.3259% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  22.45 +/- 3.28   0.001% *  0.1416% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.28 +/- 2.89   0.000% *  0.2228% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 4.82, residual support = 173.1:
      O   HB2   LYS+  99 - HN    LYS+  99   2.95 +/- 0.33  99.887% * 99.7262% (0.99  10.0   4.82 173.09) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.59 +/- 0.87   0.055% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.24 +/- 0.66   0.044% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.82 +/- 1.35   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  24.85 +/- 1.60   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.73 +/- 1.23   0.004% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.60 +/- 1.13   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  16.13 +/- 1.15   0.005% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 18.5:
          QB    LEU   98 - HN    LYS+  99   3.04 +/- 0.31  98.368% * 93.7882% (0.57   4.00  18.51) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  13.80 +/- 3.67   0.033% *  0.7191% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.13 +/- 1.10   1.168% *  0.0084% (0.01   0.02   4.89) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  13.46 +/- 2.13   0.021% *  0.3717% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30   9.56 +/- 0.51   0.121% *  0.0488% (0.06   0.02  14.99) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.60 +/- 1.89   0.007% *  0.7435% (0.90   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.58 +/- 1.29   0.026% *  0.1279% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  11.74 +/- 2.91   0.064% *  0.0436% (0.05   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.00 +/- 1.41   0.004% *  0.6924% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.61 +/- 0.63   0.038% *  0.0455% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  12.76 +/- 2.32   0.032% *  0.0526% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.47 +/- 1.59   0.051% *  0.0308% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.67 +/- 0.93   0.003% *  0.5028% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.85 +/- 0.91   0.002% *  0.6924% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.59 +/- 1.62   0.005% *  0.2305% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  21.54 +/- 2.63   0.001% *  0.8000% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  21.51 +/- 2.95   0.001% *  0.6638% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  15.59 +/- 3.11   0.044% *  0.0168% (0.02   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.32 +/- 2.51   0.002% *  0.2559% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.43 +/- 1.15   0.004% *  0.0330% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  18.00 +/- 1.19   0.003% *  0.0244% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.40 +/- 2.04   0.001% *  0.0455% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.48 +/- 2.57   0.000% *  0.0472% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.42 +/- 0.91   0.001% *  0.0151% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.748, support = 3.47, residual support = 17.6:
          QD2   LEU  104 - HN    LYS+  99   3.78 +/- 1.33  55.146% * 47.4171% (0.80   3.07  16.88) =  53.780%  kept
          QD1   LEU   98 - HN    LYS+  99   3.93 +/- 0.79  43.165% * 52.0612% (0.69   3.93  18.51) =  46.219%  kept
          QD1   ILE   19 - HN    GLN   30   6.78 +/- 0.50   1.512% *  0.0164% (0.04   0.02  14.99) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  14.06 +/- 1.48   0.028% *  0.2493% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  11.70 +/- 1.53   0.062% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.36 +/- 0.93   0.011% *  0.0858% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.86 +/- 1.22   0.006% *  0.1190% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.54 +/- 0.62   0.041% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.97 +/- 0.79   0.021% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.76 +/- 1.41   0.008% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.849, support = 4.07, residual support = 16.6:
          QD1   LEU  104 - HN    LYS+  99   4.06 +/- 1.06  60.876% * 93.7887% (0.87   4.10  16.88) =  97.672%  kept
          QD1   LEU   73 - HN    GLN   30   4.53 +/- 0.66  36.382% *  3.7336% (0.06   2.49   4.89) =   2.324%  kept
          QD1   LEU   73 - HN    LYS+  99  10.44 +/- 0.91   0.193% *  0.4570% (0.87   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    GLN   30   8.58 +/- 2.44   1.525% *  0.0343% (0.07   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  99  12.23 +/- 1.49   0.076% *  0.4570% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.75 +/- 1.91   0.127% *  0.1465% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   9.95 +/- 3.04   0.711% *  0.0142% (0.03   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  16.08 +/- 2.10   0.015% *  0.5257% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  16.73 +/- 2.49   0.013% *  0.5222% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  16.74 +/- 3.68   0.021% *  0.2166% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.13 +/- 1.51   0.023% *  0.0300% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.49 +/- 1.66   0.019% *  0.0300% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.15 +/- 1.52   0.015% *  0.0096% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.40 +/- 2.14   0.004% *  0.0345% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.03 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   3.91 +/- 0.58  99.073% * 97.5714% (0.65   4.08  11.01) =  99.994%  kept
          HB2   GLU- 100 - HN    LEU   98   9.10 +/- 0.40   0.823% *  0.6637% (0.90   0.02   0.02) =   0.006%
          QG    GLN   32 - HN    LEU   98  14.03 +/- 1.29   0.071% *  0.3894% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.57 +/- 1.77   0.012% *  0.5926% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  19.38 +/- 1.42   0.010% *  0.6182% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.28 +/- 1.75   0.010% *  0.1648% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.665, support = 4.59, residual support = 26.5:
          HB    VAL   41 - HN    LEU   98   4.31 +/- 1.61  70.610% * 50.9613% (0.65   4.96  26.65) =  84.817%  kept
          HG12  ILE  103 - HN    LEU   98   5.78 +/- 1.31  17.903% * 33.8418% (0.80   2.66  27.42) =  14.280%  kept
          HB3   ASP- 105 - HN    LEU   98   7.65 +/- 0.84   2.161% * 10.0510% (0.45   1.41   0.62) =   0.512%  kept
          HB    ILE  103 - HN    LEU   98   7.30 +/- 0.83   4.452% *  3.6451% (0.53   0.44  27.42) =   0.383%
          QB    LYS+ 106 - HN    LEU   98   7.31 +/- 1.23   4.330% *  0.0629% (0.20   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    LEU   98  15.42 +/- 2.20   0.261% *  0.1799% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  13.11 +/- 1.35   0.124% *  0.1424% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  12.40 +/- 1.01   0.099% *  0.1084% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  17.30 +/- 3.86   0.025% *  0.3114% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  20.82 +/- 1.99   0.006% *  0.3114% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.96 +/- 0.76   0.018% *  0.0707% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.26 +/- 1.85   0.003% *  0.1546% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  21.30 +/- 1.96   0.005% *  0.0707% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  22.58 +/- 1.21   0.003% *  0.0883% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 2 structures by 0.20 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.13, residual support = 82.9:
      O   QB    LEU   98 - HN    LEU   98   2.79 +/- 0.24  97.271% * 99.2383% (0.84  10.0   5.13  82.87) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.49 +/- 0.73   2.534% *  0.0208% (0.18   1.0   0.02   0.62) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  12.41 +/- 3.52   0.090% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.90 +/- 2.01   0.060% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.49 +/- 1.78   0.014% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.83 +/- 1.03   0.005% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.31 +/- 1.24   0.004% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.31 +/- 0.95   0.007% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.60 +/- 0.94   0.008% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  18.28 +/- 2.74   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  18.28 +/- 3.10   0.002% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.88 +/- 2.27   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.44 +/- 1.04   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.63, residual support = 10.1:
          QD2   LEU   40 - HN    LEU   98   2.71 +/- 0.59  92.056% * 84.9962% (0.97   4.66   9.97) =  99.179%  kept
          QG2   ILE  103 - HN    LEU   98   5.60 +/- 0.74   4.636% * 13.9041% (0.87   0.85  27.42) =   0.817%  kept
          QD1   ILE  103 - HN    LEU   98   6.09 +/- 1.22   2.926% *  0.0747% (0.20   0.02  27.42) =   0.003%
          QD1   LEU   67 - HN    LEU   98   8.10 +/- 1.41   0.244% *  0.3572% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    LEU   98   9.16 +/- 0.45   0.115% *  0.1050% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.98 +/- 1.37   0.019% *  0.2742% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.64 +/- 1.02   0.006% *  0.2886% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.406, support = 4.3, residual support = 69.6:
          QD1   LEU   98 - HN    LEU   98   3.64 +/- 0.78  53.198% * 49.9593% (0.38   4.91  82.87) =  81.149%  kept
          QD2   LEU  104 - HN    LEU   98   5.53 +/- 1.12   8.616% * 30.4200% (0.99   1.13   6.17) =   8.003%  kept
          QG1   VAL   41 - HN    LEU   98   5.02 +/- 1.29  19.734% * 11.3974% (0.15   2.73  26.65) =   6.867%  kept
          QG1   VAL   43 - HN    LEU   98   5.09 +/- 1.57  18.273% *  7.1309% (0.28   0.95   0.32) =   3.979%  kept
          QD1   ILE   19 - HN    LEU   98  11.66 +/- 1.24   0.096% *  0.5001% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  12.04 +/- 1.00   0.058% *  0.2637% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.42 +/- 1.28   0.025% *  0.3286% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.205, support = 4.38, residual support = 59.3:
          QD2   LEU   98 - HN    LEU   98   3.30 +/- 0.83  66.465% * 27.7463% (0.15   4.68  82.87) =  61.501%  kept
          QG2   VAL   41 - HN    LEU   98   4.67 +/- 1.37  17.480% * 49.6976% (0.28   4.65  26.65) =  28.971%  kept
          QD1   LEU  104 - HN    LEU   98   4.90 +/- 0.88  14.543% * 19.5771% (0.31   1.65   6.17) =   9.495%  kept
          QD1   LEU   73 - HN    LEU   98   7.90 +/- 1.04   0.532% *  0.6894% (0.90   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LEU   98   8.88 +/- 1.98   0.520% *  0.6421% (0.84   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    LEU   98   9.04 +/- 1.64   0.411% *  0.6894% (0.90   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    LEU   98  13.23 +/- 2.17   0.020% *  0.4352% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  14.08 +/- 2.51   0.020% *  0.4044% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  15.74 +/- 2.36   0.009% *  0.1186% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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   2.57 +/- 0.32  97.276% * 99.6886% (0.95  10.0   4.84  62.58) =  99.998%  kept
          QE    LYS+ 106 - HN    PHE   97   5.39 +/- 0.85   2.418% *  0.0554% (0.53   1.0   0.02  10.82) =   0.001%
          QE    LYS+  99 - HN    PHE   97   8.99 +/- 1.08   0.250% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.94 +/- 0.71   0.037% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  14.28 +/- 1.37   0.004% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.77 +/- 2.08   0.011% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.57 +/- 1.23   0.003% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 45.5:
          HG2   MET   96 - HN    PHE   97   3.54 +/- 0.61  99.963% * 99.4690% (0.73   5.60  45.54) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.31 +/- 2.63   0.017% *  0.4089% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HN    PHE   97  15.78 +/- 1.40   0.020% *  0.1221% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.78 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 +/- 0.46  98.866% * 99.0693% (0.34  10.0   5.19  62.58) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.58 +/- 0.77   1.061% *  0.0808% (0.28   1.0   0.02   2.45) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.07 +/- 0.75   0.052% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.87 +/- 1.00   0.007% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.93 +/- 1.61   0.011% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  19.48 +/- 1.13   0.003% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 49.1:
          HB2   MET   96 - HN    PHE   97   3.95 +/- 0.35  77.375% * 35.2427% (0.31   6.07  45.54) =  65.977%  kept
          HB2   ASP- 105 - HN    PHE   97   5.36 +/- 1.20  22.212% * 63.3052% (0.98   3.44  56.05) =  34.021%  kept
          HG12  ILE  119 - HN    PHE   97  12.07 +/- 2.96   0.310% *  0.1546% (0.41   0.02   0.43) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.27 +/- 0.81   0.060% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.24 +/- 0.58   0.018% *  0.3372% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.96 +/- 1.10   0.008% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.25 +/- 0.86   0.007% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  18.07 +/- 1.33   0.010% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 45.5:
          HB3   MET   96 - HN    PHE   97   4.18 +/- 0.55  99.713% * 91.3873% (0.15   6.07  45.54) =  99.996%  kept
          HB3   GLN   30 - HN    PHE   97  14.13 +/- 0.77   0.085% *  1.4160% (0.73   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    PHE   97  14.79 +/- 0.84   0.066% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  15.20 +/- 1.72   0.065% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.54 +/- 0.80   0.045% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.90 +/- 1.87   0.018% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  21.40 +/- 2.03   0.008% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  29.66 +/- 2.98   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.631, support = 1.3, residual support = 1.27:
          QG2   ILE  103 - HN    PHE   97   3.74 +/- 0.69  83.202% * 48.0797% (0.61   1.34   1.17) =  84.158%  kept
          QD2   LEU   40 - HN    PHE   97   5.36 +/- 0.74  15.326% * 49.0687% (0.76   1.08   1.79) =  15.821%  kept
          QD1   LEU   67 - HN    PHE   97   8.87 +/- 1.45   0.851% *  0.8598% (0.73   0.02   0.02) =   0.015%
          QD1   ILE  119 - HN    PHE   97  11.57 +/- 2.43   0.523% *  0.2953% (0.25   0.02   0.43) =   0.003%
          HB    VAL   75 - HN    PHE   97  12.67 +/- 0.90   0.077% *  1.1201% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   97  15.65 +/- 0.75   0.020% *  0.5764% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 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   3.74 +/- 0.37  99.781% * 95.7142% (0.24   4.00  11.99) =  99.998%  kept
          HB3   TRP   87 - HN    MET   96  12.80 +/- 3.64   0.161% *  1.0876% (0.54   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    MET   96  16.45 +/- 1.40   0.020% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.26 +/- 1.53   0.007% *  1.8830% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.53 +/- 1.65   0.031% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.06 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 +/- 0.26  98.941% * 99.6054% (0.94  10.0   4.06 115.52) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.06 +/- 1.10   0.966% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  10.77 +/- 1.25   0.066% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.84 +/- 1.06   0.006% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.18 +/- 1.06   0.005% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.10 +/- 0.64   0.003% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.28 +/- 0.49   0.011% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.70 +/- 1.11   0.001% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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   2.76 +/- 0.43  99.899% * 99.5022% (0.57  10.0   3.97 115.52) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  10.98 +/- 0.83   0.040% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.57 +/- 1.40   0.024% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.68 +/- 1.51   0.033% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.48 +/- 1.45   0.003% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  19.77 +/- 2.35   0.001% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  28.55 +/- 2.99   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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   3.85 +/- 0.40  98.824% * 76.2797% (0.19   1.50  16.40) =  99.951%  kept
          HB2   LEU   71 - HN    MET   96  10.17 +/- 0.67   0.397% *  4.4580% (0.82   0.02   0.02) =   0.023%
          HG2   PRO   93 - HN    MET   96  10.75 +/- 0.68   0.263% *  2.5016% (0.46   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    MET   96  11.96 +/- 0.40   0.129% *  3.7319% (0.69   0.02   0.02) =   0.006%
          HB2   LYS+  99 - HN    MET   96  11.54 +/- 0.73   0.184% *  1.4289% (0.26   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    MET   96  14.15 +/- 1.00   0.054% *  4.2927% (0.79   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    MET   96  12.65 +/- 1.32   0.115% *  1.2815% (0.24   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    MET   96  16.99 +/- 1.03   0.019% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  17.44 +/- 1.40   0.015% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.65, residual support = 2.89:
          QG2   THR   94 - HN    MET   96   4.23 +/- 0.27  99.322% * 95.7253% (0.85   1.65   2.89) =  99.994%  kept
          HB3   LEU   71 - HN    MET   96  11.29 +/- 0.72   0.306% *  1.2275% (0.89   0.02   0.02) =   0.004%
          HD2   LYS+ 112 - HN    MET   96  16.58 +/- 2.01   0.046% *  1.2719% (0.93   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    MET   96  13.52 +/- 2.83   0.192% *  0.2889% (0.21   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  16.37 +/- 1.13   0.034% *  1.1256% (0.82   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    MET   96  14.77 +/- 1.74   0.099% *  0.3608% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 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   4.33 +/- 0.68  92.751% * 96.6032% (0.76   2.96  16.40) =  99.945%  kept
          QG2   THR   46 - HN    MET   96   8.75 +/- 1.27   2.406% *  0.8141% (0.94   0.02   0.02) =   0.022%
          QG2   VAL   18 - HN    MET   96  10.07 +/- 1.16   1.246% *  0.7874% (0.91   0.02   0.02) =   0.011%
          QG1   VAL   41 - HN    MET   96   8.84 +/- 0.52   1.787% *  0.4949% (0.57   0.02   0.02) =   0.010%
          QD2   LEU  104 - HN    MET   96   9.37 +/- 1.15   1.424% *  0.5925% (0.69   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    MET   96  12.08 +/- 1.06   0.386% *  0.7078% (0.82   0.02   0.02) =   0.003%
    Distance limit 4.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.824, support = 1.0, residual support = 0.865:
          QD1   LEU   63 - HN    MET   96   6.47 +/- 1.83  31.162% * 51.8076% (0.85   1.09   0.90) =  80.932%  kept
          QD2   LEU   63 - HN    MET   96   7.59 +/- 1.93  10.327% * 30.1172% (0.79   0.68   0.90) =  15.592%  kept
          QD2   LEU  115 - HN    MET   96   9.94 +/- 2.08   3.441% * 15.6171% (0.54   0.52   0.02) =   2.694%  kept
          QD2   LEU   98 - HN    MET   96   6.05 +/- 1.00  32.953% *  0.1636% (0.15   0.02   0.39) =   0.270%
          QD1   LEU   73 - HN    MET   96   7.97 +/- 0.74   5.130% *  0.9509% (0.85   0.02   0.02) =   0.245%
          QG2   VAL   41 - HN    MET   96   7.20 +/- 0.73  10.416% *  0.2948% (0.26   0.02   0.02) =   0.154%
          QD1   LEU  104 - HN    MET   96   8.83 +/- 1.37   5.513% *  0.3273% (0.29   0.02   0.02) =   0.090%
          QD2   LEU   80 - HN    MET   96  11.40 +/- 2.04   0.716% *  0.5579% (0.50   0.02   0.02) =   0.020%
          QD1   LEU   80 - HN    MET   96  12.72 +/- 1.99   0.342% *  0.1636% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 9 structures by 0.98 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.91 +/- 2.80  32.877% * 55.1266% (0.72   0.02   0.02) =  59.576%  kept
          QG2   VAL   83 - HN    MET   96  10.64 +/- 2.90  22.663% * 35.1112% (0.46   0.02   0.02) =  26.157%  kept
          QD2   LEU   31 - HN    MET   96   8.96 +/- 0.72  44.460% *  9.7622% (0.13   0.02   0.02) =  14.267%  kept
    Distance limit 4.44 A violated in 20 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.87, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.71 +/- 0.46 100.000% *100.0000% (0.87  10.0   3.87  73.54) = 100.000%  kept
    Distance limit 4.01 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   3.33 +/- 0.47  99.967% * 99.8580% (0.98  10.0   4.20  73.54) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  13.65 +/- 1.28   0.031% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.06 +/- 1.62   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 3.22, residual support = 45.2:
          HB    VAL  107 - HN    PHE   95   4.38 +/- 1.15  86.649% * 94.1332% (0.99   3.24  45.49) =  99.258%  kept
          HB3   PHE   45 - HN    PHE   95   7.57 +/- 1.05  12.864% *  4.7258% (0.69   0.23   1.89) =   0.740%  kept
          QE    LYS+ 112 - HN    PHE   95  11.44 +/- 1.61   0.425% *  0.4026% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    PHE   95  17.10 +/- 1.10   0.043% *  0.2199% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.34 +/- 0.91   0.012% *  0.4026% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.54 +/- 0.73   0.006% *  0.1160% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 2 structures by 0.21 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.858, support = 4.31, residual support = 15.3:
          QG2   THR   94 - HN    PHE   95   2.26 +/- 0.32  94.079% * 79.8652% (0.87   4.30  14.87) =  98.525%  kept
          QG2   VAL  107 - HN    PHE   95   4.28 +/- 0.87   5.888% * 19.1072% (0.20   4.51  45.49) =   1.475%  kept
          HG13  ILE  103 - HN    PHE   95   9.85 +/- 1.15   0.023% *  0.2596% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  13.32 +/- 1.18   0.004% *  0.3838% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.76 +/- 1.98   0.005% *  0.2083% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.32 +/- 0.80   0.001% *  0.1759% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.59 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   2.65 +/- 0.21  99.879% * 98.9931% (0.65  10.0   3.08  25.31) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.95 +/- 1.23   0.064% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.35 +/- 0.81   0.019% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  13.01 +/- 1.02   0.010% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  14.43 +/- 1.56   0.005% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.33 +/- 1.55   0.012% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  13.44 +/- 1.71   0.008% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.83 +/- 1.54   0.001% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.11 +/- 1.56   0.001% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.10 +/- 1.55   0.001% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.58 +/- 1.30   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.27 +/- 1.09   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.7:
          HB2   PHE   45 - HN    THR   94   2.82 +/- 0.68  99.831% * 98.8926% (0.95   2.96  27.71) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  12.10 +/- 1.99   0.148% *  0.7071% (1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    THR   94  13.54 +/- 1.01   0.020% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.558, support = 1.49, residual support = 27.1:
          HB3   PHE   45 - HN    THR   94   4.01 +/- 0.86  90.857% * 72.7763% (0.57   1.50  27.71) =  97.749%  kept
          HB    VAL  107 - HN    THR   94   7.84 +/- 1.50   7.193% * 20.9700% (0.20   1.24   0.02) =   2.230%  kept
          QE    LYS+ 112 - HN    THR   94  11.82 +/- 2.28   0.649% *  0.9704% (0.57   0.02   0.02) =   0.009%
          HG3   MET   96 - HN    THR   94   8.99 +/- 0.80   1.098% *  0.4765% (0.28   0.02   2.89) =   0.008%
          HB3   ASP-  62 - HN    THR   94  14.02 +/- 1.74   0.121% *  1.1773% (0.69   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    THR   94  14.30 +/- 1.84   0.074% *  1.6988% (0.99   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  21.46 +/- 0.82   0.005% *  1.6988% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.97 +/- 1.25   0.002% *  0.2320% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.05 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   3.77 +/- 0.24  94.432% * 99.5171% (0.98  10.0   4.40  15.60) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   7.34 +/- 1.70   4.297% *  0.0697% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94   9.49 +/- 2.30   1.063% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  13.31 +/- 1.57   0.065% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  13.45 +/- 1.83   0.064% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.05 +/- 1.91   0.047% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.05 +/- 0.76   0.017% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.56 +/- 1.10   0.010% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  23.28 +/- 2.68   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.14 +/- 0.82   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.03 +/- 3.23   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.894, support = 2.73, residual support = 15.5:
      O   HB3   PRO   93 - HN    THR   94   3.68 +/- 0.32  86.356% * 94.6343% (0.90  10.0   2.74  15.60) =  99.313%  kept
          HB3   ASP-  44 - HN    THR   94   5.61 +/- 1.04  12.444% *  4.5356% (0.49   1.0   1.77   0.02) =   0.686%  kept
          QB    ALA   84 - HN    THR   94   9.64 +/- 1.34   0.452% *  0.0915% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  10.95 +/- 0.67   0.144% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.15 +/- 2.03   0.177% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.64 +/- 1.21   0.103% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.92 +/- 2.37   0.067% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  12.88 +/- 1.87   0.067% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.83 +/- 0.96   0.085% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.75 +/- 1.53   0.075% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.30 +/- 1.64   0.010% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.14 +/- 1.37   0.004% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.34 +/- 1.62   0.004% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.38 +/- 1.08   0.008% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.97 +/- 1.10   0.003% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.06 +/- 2.53   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.52, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.74 +/- 0.22  98.415% * 94.3593% (0.34   3.52  25.31) =  99.980%  kept
          HG3   LYS+ 111 - HN    THR   94  12.02 +/- 2.05   0.656% *  1.3126% (0.84   0.02   0.02) =   0.009%
          HG12  ILE   89 - HN    THR   94   9.82 +/- 2.27   0.649% *  1.2010% (0.76   0.02   5.41) =   0.008%
          HD2   LYS+ 112 - HN    THR   94  14.19 +/- 3.04   0.177% *  1.1412% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HN    THR   94  14.13 +/- 2.21   0.072% *  0.4850% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  16.28 +/- 0.96   0.016% *  1.2584% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  16.71 +/- 1.18   0.014% *  0.2425% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 5.4:
          QG2   ILE   89 - HN    THR   94   6.13 +/- 1.82  96.909% * 99.1801% (0.90   0.75   5.41) =  99.974%  kept
          QG1   VAL   83 - HN    THR   94  11.51 +/- 1.85   3.091% *  0.8199% (0.28   0.02   0.02) =   0.026%
    Distance limit 4.53 A violated in 11 structures by 1.67 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.178, support = 3.86, residual support = 60.4:
          HG3   MET   92 - HN    MET   92   3.93 +/- 0.64  95.168% * 40.3551% (0.14   4.04  64.10) =  94.208%  kept
          QG    GLN   90 - HN    MET   92   7.11 +/- 0.72   4.551% * 51.8002% (0.87   0.81   0.02) =   5.783%  kept
          HB2   ASP-  44 - HN    MET   92  12.13 +/- 1.55   0.230% *  1.4458% (0.98   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    MET   92  18.01 +/- 1.93   0.019% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  17.36 +/- 1.82   0.023% *  0.7760% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  24.96 +/- 2.58   0.003% *  1.4234% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.18 +/- 1.77   0.003% *  1.4750% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.56 +/- 1.78   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  33.00 +/- 3.23   0.001% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.09 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 64.1:
      O   HB2   MET   92 - HN    MET   92   2.47 +/- 0.48  99.021% * 99.5386% (1.00  10.0   3.94  64.10) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.51 +/- 0.67   0.913% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  11.77 +/- 2.63   0.018% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.61 +/- 2.17   0.027% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.41 +/- 1.07   0.019% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  18.26 +/- 2.13   0.001% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  20.55 +/- 1.60   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.24 +/- 1.15   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.43 +/- 1.35   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.15 +/- 2.84   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  37.15 +/- 3.50   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.29, residual support = 64.1:
      O   HB3   MET   92 - HN    MET   92   3.51 +/- 0.31  93.753% * 99.1115% (0.57  10.0   4.29  64.10) =  99.997%  kept
          HB    ILE   89 - HN    MET   92   7.49 +/- 1.48   3.801% *  0.0437% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    MET   92   6.81 +/- 0.16   2.031% *  0.0346% (0.20   1.0   0.02   1.69) =   0.001%
          QG1   ILE   56 - HN    MET   92  10.58 +/- 2.19   0.231% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.70 +/- 1.48   0.058% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.79 +/- 3.00   0.106% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.13 +/- 1.69   0.016% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.46 +/- 0.96   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.03 +/- 0.70   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.87 +/- 1.57   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   2.80 +/- 0.64  99.570% * 96.7019% (1.00   3.55  14.21) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   8.96 +/- 2.09   0.372% *  0.3748% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    MET   92  13.20 +/- 1.67   0.040% *  0.3530% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.26 +/- 1.96   0.011% *  0.1080% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  21.16 +/- 1.18   0.001% *  0.5444% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.97 +/- 1.86   0.001% *  0.4733% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.36 +/- 1.05   0.002% *  0.2656% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.42 +/- 1.73   0.001% *  0.3309% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.22 +/- 1.05   0.000% *  0.3748% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  30.23 +/- 1.33   0.000% *  0.4733% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.7:
          HA    ILE   89 - HN    ALA   91   3.77 +/- 0.64  99.300% * 96.1992% (0.61   2.49   7.70) =  99.999%  kept
          HB3   SER   82 - HN    ALA   91  13.89 +/- 0.87   0.072% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  11.27 +/- 3.37   0.489% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  19.05 +/- 1.31   0.010% *  1.2058% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.21 +/- 0.67   0.058% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.10 +/- 0.61   0.034% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.94 +/- 1.80   0.014% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  17.45 +/- 2.21   0.017% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  26.15 +/- 1.44   0.001% *  0.5715% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.90 +/- 1.71   0.004% *  0.1490% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  29.06 +/- 1.68   0.001% *  0.7732% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.58 +/- 2.24   0.001% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.20 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.72, support = 4.95, residual support = 31.7:
          HB2   GLN   90 - HN    ALA   91   4.06 +/- 0.76  62.689% * 95.8369% (0.73   4.97  31.96) =  99.053%  kept
          HB2   GLU-  25 - HN    TRP   27   4.85 +/- 0.14  24.405% *  2.3285% (0.02   3.58   0.27) =   0.937%  kept
          HG3   GLU-  29 - HN    TRP   27   6.10 +/- 0.54   6.898% *  0.0589% (0.11   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HN    TRP   27   6.46 +/- 0.55   5.247% *  0.0346% (0.07   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   91  13.03 +/- 1.35   0.110% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27   9.41 +/- 1.00   0.567% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.61 +/- 1.03   0.002% *  0.4766% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.29 +/- 0.50   0.061% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  20.47 +/- 1.11   0.005% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.15 +/- 1.22   0.002% *  0.2796% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.09 +/- 0.32   0.007% *  0.0621% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  19.83 +/- 1.30   0.005% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  31.11 +/- 1.58   0.000% *  0.5028% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  27.10 +/- 1.57   0.001% *  0.1325% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 32.0:
          HB3   GLN   90 - HN    ALA   91   3.38 +/- 0.96  84.510% * 96.1743% (0.99   4.97  31.96) =  99.993%  kept
          HB2   MET   92 - HN    ALA   91   5.81 +/- 0.96   3.993% *  0.0603% (0.15   0.02  14.21) =   0.003%
          HB3   GLN   30 - HN    TRP   27   5.64 +/- 0.89  10.364% *  0.0120% (0.03   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   91  10.01 +/- 1.03   0.232% *  0.3771% (0.97   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91  10.84 +/- 2.18   0.295% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  14.23 +/- 2.32   0.061% *  0.3771% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  13.48 +/- 1.46   0.049% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.49 +/- 0.67   0.338% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  14.69 +/- 2.71   0.044% *  0.2212% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.55 +/- 1.58   0.060% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  20.40 +/- 2.32   0.004% *  0.3696% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  20.52 +/- 1.62   0.003% *  0.3830% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  23.63 +/- 1.39   0.002% *  0.3908% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.67 +/- 1.51   0.012% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.62 +/- 1.49   0.004% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  19.68 +/- 2.03   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.83 +/- 0.99   0.004% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.67 +/- 2.59   0.003% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  29.51 +/- 2.02   0.000% *  0.3607% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  21.37 +/- 1.83   0.002% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.24 +/- 0.34   0.005% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.01 +/- 1.97   0.003% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.75 +/- 0.98   0.002% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  27.32 +/- 1.81   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  30.31 +/- 1.57   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  19.87 +/- 1.55   0.003% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.13 +/- 1.20   0.002% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  28.07 +/- 3.17   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.17 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.6:
      O   QB    ALA   91 - HN    ALA   91   2.38 +/- 0.18  96.266% * 99.2924% (0.92  10.0   3.62  14.59) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.60 +/- 0.83   3.643% *  0.0055% (0.05   1.0   0.02   1.06) =   0.000%
          QG2   ILE   56 - HN    ALA   91  11.23 +/- 2.29   0.015% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.56 +/- 0.31   0.026% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.91 +/- 1.48   0.003% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.82 +/- 0.32   0.012% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.13 +/- 0.75   0.002% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.63 +/- 0.90   0.014% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.67 +/- 1.61   0.012% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.95 +/- 0.69   0.004% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.87 +/- 1.35   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.43 +/- 1.10   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.22 +/- 1.30   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.31 +/- 2.12   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.75 +/- 1.36   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.50 +/- 0.64   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.41 +/- 1.67   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.13 +/- 2.22   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.86 +/- 1.49   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  20.16 +/- 1.56   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 0.0199, residual support = 0.0199:
          HB3   TRP   87 - HE22  GLN   90  10.42 +/- 1.08  35.323% * 18.6359% (0.49   0.02   0.02) =  56.687%  kept
          HG2   GLU-  36 - HE22  GLN   32   9.27 +/- 1.21  62.858% *  7.7282% (0.20   0.02   0.02) =  41.832%  kept
          HG3   MET   96 - HE22  GLN   90  20.40 +/- 2.05   0.766% * 11.8170% (0.31   0.02   0.02) =   0.780%  kept
          HB3   TRP   87 - HE22  GLN   32  23.72 +/- 3.85   0.362% *  7.1499% (0.19   0.02   0.02) =   0.223%
          HG3   GLN  116 - HE22  GLN   90  27.76 +/- 3.05   0.117% * 21.6759% (0.57   0.02   0.02) =   0.219%
          HG3   MET   96 - HE22  GLN   32  20.98 +/- 1.12   0.531% *  4.5337% (0.12   0.02   0.02) =   0.207%
          HG2   GLU-  36 - HE22  GLN   90  35.58 +/- 2.36   0.022% * 20.1433% (0.53   0.02   0.02) =   0.037%
          HG3   GLN  116 - HE22  GLN   32  36.36 +/- 2.02   0.021% *  8.3162% (0.22   0.02   0.02) =   0.015%
    Distance limit 5.50 A violated in 20 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.2:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  99.989% * 99.2019% (0.18  10.0   5.16 159.18) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.13 +/- 1.52   0.010% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.08 +/- 1.66   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.12, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.23 +/- 0.20  99.914% * 99.3899% (0.61  10.0   3.12  12.49) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.46 +/- 1.57   0.061% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  15.12 +/- 2.70   0.015% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  20.25 +/- 2.22   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.40 +/- 1.32   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.02 +/- 1.54   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.35 +/- 1.61   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.71 +/- 1.38   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.85 +/- 2.77   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.12, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.22 +/- 0.52  99.991% * 99.6785% (0.28  10.0   3.12  12.49) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.93 +/- 2.53   0.008% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  23.07 +/- 0.98   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.785, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  17.89 +/- 2.30  16.042% * 13.6482% (0.95   0.02   0.02) =  21.757%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.90 +/- 1.07  15.825% * 12.0512% (0.84   0.02   0.02) =  18.952%  kept
          HB    ILE   19 - HN    LYS+ 102  17.68 +/- 1.62  15.677% * 11.0262% (0.76   0.02   0.02) =  17.178%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.20 +/- 3.12  13.483% *  9.9106% (0.69   0.02   0.02) =  13.279%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.57 +/- 2.36   8.617% *  8.7509% (0.61   0.02   0.02) =   7.493%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.19 +/- 1.96  19.864% *  3.5976% (0.25   0.02   0.02) =   7.102%  kept
          HB3   GLU-  25 - HN    LYS+ 102  23.02 +/- 2.60   3.507% * 14.4279% (1.00   0.02   0.02) =   5.028%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.23 +/- 2.31   3.753% * 12.9393% (0.90   0.02   0.02) =   4.826%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.76 +/- 1.96   3.232% * 13.6482% (0.95   0.02   0.02) =   4.384%  kept
    Distance limit 4.45 A violated in 20 structures by 8.28 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 = 159.2:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.57 +/- 0.09  97.910% * 99.4444% (0.98  10.0   4.65 159.18) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.70 +/- 0.81   1.618% *  0.0455% (0.45   1.0   0.02  22.47) =   0.001%
          HB    VAL   41 - HN    LYS+ 102   7.61 +/- 1.91   0.453% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.73 +/- 1.64   0.015% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.71 +/- 1.61   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.41 +/- 1.31   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.52 +/- 1.13   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  21.21 +/- 4.03   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.86 +/- 2.12   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.28 +/- 2.31   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.8, residual support = 110.9:
          HG2   LYS+ 102 - HN    LYS+ 102   3.64 +/- 0.52  54.964% * 60.0555% (0.28   4.42 159.18) =  69.177%  kept
          QB    LEU   98 - HN    LYS+ 102   4.05 +/- 1.17  44.977% * 32.6994% (0.28   2.40   2.65) =  30.822%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  15.41 +/- 3.67   0.016% *  0.5537% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.66 +/- 2.59   0.010% *  0.7475% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  14.34 +/- 1.96   0.016% *  0.3671% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.43 +/- 2.24   0.004% *  0.9759% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.37 +/- 1.48   0.003% *  0.9759% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.53 +/- 1.35   0.002% *  0.8771% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.57 +/- 1.78   0.003% *  0.5537% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  22.71 +/- 3.16   0.001% *  0.9694% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.72 +/- 1.56   0.002% *  0.5146% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  22.71 +/- 2.85   0.001% *  0.7102% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.428, support = 2.02, residual support = 1.81:
          QD1   LEU   98 - HN    LYS+ 102   4.60 +/- 0.90  38.558% * 66.2416% (0.18   2.92   2.65) =  66.916%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.38 +/- 1.00  50.749% * 24.6866% (0.95   0.20   0.11) =  32.823%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.53 +/- 1.61   9.780% *  0.8850% (0.34   0.02   0.02) =   0.227%
          QG1   VAL   43 - HN    LYS+ 102   9.29 +/- 1.99   0.852% *  1.3650% (0.53   0.02   0.02) =   0.030%
          QD1   ILE   19 - HN    LYS+ 102  15.45 +/- 1.88   0.037% *  2.5887% (1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LYS+ 102  17.15 +/- 1.37   0.014% *  1.9827% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.36 +/- 1.51   0.010% *  2.2505% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.43, residual support = 41.0:
      O   HA    ILE   89 - HN    GLN   90   2.79 +/- 0.55  99.970% * 99.5753% (0.61  10.0   6.43  41.02) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.26 +/- 0.82   0.028% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  20.60 +/- 1.37   0.001% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  26.55 +/- 1.90   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.27 +/- 1.97   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  30.03 +/- 2.78   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.19 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 95.6:
          QG    GLN   90 - HN    GLN   90   2.25 +/- 0.45  98.475% * 97.9339% (0.90   6.03  95.61) =  99.997%  kept
          HG3   MET   92 - HN    GLN   90   7.83 +/- 2.41   1.520% *  0.2197% (0.61   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLN   90  14.70 +/- 1.59   0.003% *  0.2631% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  20.49 +/- 1.83   0.000% *  0.3026% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  21.83 +/- 1.71   0.000% *  0.3591% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  22.45 +/- 1.66   0.000% *  0.2631% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  20.94 +/- 1.86   0.000% *  0.0903% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  26.10 +/- 2.63   0.000% *  0.2769% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  25.87 +/- 1.72   0.000% *  0.2197% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  33.66 +/- 3.79   0.000% *  0.0717% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 95.6:
      O   HB3   GLN   90 - HN    GLN   90   3.38 +/- 0.46  97.464% * 99.1031% (0.92  10.0   5.59  95.61) =  99.999%  kept
          HB2   MET   92 - HN    GLN   90   7.56 +/- 1.84   2.000% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   8.70 +/- 0.80   0.471% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  14.40 +/- 1.57   0.024% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.97 +/- 2.18   0.017% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  16.60 +/- 2.59   0.013% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  20.83 +/- 2.70   0.003% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  20.60 +/- 2.02   0.003% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.62 +/- 2.14   0.002% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  23.61 +/- 1.90   0.001% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.56 +/- 1.97   0.002% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  30.60 +/- 1.87   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  30.68 +/- 2.26   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.08 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.29, residual support = 41.0:
          QG2   ILE   89 - HN    GLN   90   2.69 +/- 0.80 100.000% *100.0000% (0.65   7.29  41.02) = 100.000%  kept
    Distance limit 3.86 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 = 5.88, residual support = 41.0:
          QD1   ILE   89 - HN    GLN   90   4.32 +/- 0.40  94.907% * 99.5458% (0.49   5.88  41.02) =  99.991%  kept
          QG2   VAL   83 - HN    GLN   90   7.79 +/- 0.87   3.939% *  0.1734% (0.25   0.02   0.02) =   0.007%
          QG2   VAL   75 - HN    GLN   90  10.10 +/- 1.83   1.120% *  0.1734% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    GLN   90  16.81 +/- 1.35   0.035% *  0.1073% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 8.07:
      O   HA    ALA   88 - HN    ILE   89   3.17 +/- 0.23  97.752% * 99.4024% (0.99  10.0   4.13   8.07) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   6.02 +/- 0.43   2.139% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   89  10.67 +/- 0.53   0.070% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.84 +/- 1.73   0.019% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.41 +/- 1.39   0.014% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  22.71 +/- 3.10   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  21.06 +/- 2.35   0.001% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.53 +/- 2.54   0.001% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  25.64 +/- 3.09   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  24.22 +/- 2.00   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  24.73 +/- 2.95   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  27.07 +/- 2.21   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  28.90 +/- 2.66   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 6.01, residual support = 217.2:
      O   HA    ILE   89 - HN    ILE   89   2.61 +/- 0.23  99.998% * 99.5011% (0.34  10.0   6.01 217.21) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  21.04 +/- 2.07   0.001% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  19.20 +/- 2.17   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  24.97 +/- 3.12   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  27.50 +/- 3.00   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  29.60 +/- 3.23   0.000% *  0.0577% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.58, residual support = 217.2:
      O   HB    ILE   89 - HN    ILE   89   2.78 +/- 0.56  99.791% * 99.6919% (0.45  10.0   5.58 217.21) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   9.47 +/- 1.59   0.182% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  12.89 +/- 2.91   0.026% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  23.84 +/- 3.26   0.000% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.2:
          HG12  ILE   89 - HN    ILE   89   2.49 +/- 0.62  99.356% * 97.9234% (0.76   5.78 217.21) =  99.999%  kept
          QB    ALA   91 - HN    ILE   89   6.38 +/- 1.31   0.636% *  0.1368% (0.31   0.02   7.70) =   0.001%
          HG2   LYS+  74 - HN    ILE   89  15.23 +/- 1.97   0.003% *  0.3844% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  18.79 +/- 2.41   0.003% *  0.3044% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  22.69 +/- 3.16   0.000% *  0.3974% (0.90   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  22.80 +/- 2.53   0.000% *  0.2867% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  25.70 +/- 3.29   0.000% *  0.3701% (0.84   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  21.57 +/- 2.59   0.001% *  0.1368% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  29.15 +/- 3.85   0.000% *  0.0600% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 217.2:
          QG2   ILE   89 - HN    ILE   89   3.64 +/- 0.19  98.636% * 99.7860% (1.00   6.34 217.21) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.59 +/- 0.54   1.352% *  0.1655% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  19.36 +/- 3.45   0.012% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.53, residual support = 217.2:
          HG13  ILE   89 - HN    ILE   89   3.45 +/- 0.60 100.000% *100.0000% (0.90   5.53 217.21) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.8:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.02  99.983% * 99.0917% (0.84  10.0   1.63  11.80) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.77 +/- 0.30   0.015% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.68 +/- 1.70   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.69 +/- 1.50   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  20.99 +/- 2.95   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  22.66 +/- 3.79   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  23.14 +/- 2.50   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  25.89 +/- 3.66   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  26.07 +/- 3.19   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  26.44 +/- 2.00   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 11.8:
      O   QB    ALA   88 - HN    ALA   88   2.90 +/- 0.10  93.262% * 99.1205% (0.73  10.0   2.00  11.80) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.59 +/- 0.19   6.286% *  0.0211% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.93 +/- 1.66   0.328% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.26 +/- 0.85   0.115% *  0.0938% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  18.77 +/- 3.76   0.002% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  16.53 +/- 2.33   0.003% *  0.0612% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  21.12 +/- 2.47   0.001% *  0.1225% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  18.81 +/- 3.95   0.002% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  23.22 +/- 2.21   0.000% *  0.0773% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  26.31 +/- 3.73   0.000% *  0.1366% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  28.84 +/- 4.13   0.000% *  0.1339% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  29.80 +/- 2.80   0.000% *  0.0421% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.3:
      O   HB2   TRP   87 - HN    TRP   87   3.70 +/- 0.05  99.945% * 99.8429% (0.73  10.0   3.84  74.34) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.55 +/- 1.94   0.049% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  20.14 +/- 1.96   0.004% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  26.43 +/- 4.11   0.001% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.95, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.61 +/- 0.26  99.963% * 97.4873% (0.80   3.95  22.55) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  13.20 +/- 1.25   0.027% *  0.3245% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  15.77 +/- 2.89   0.003% *  0.6168% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.22 +/- 0.91   0.007% *  0.0952% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  21.23 +/- 2.99   0.000% *  0.6045% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  22.82 +/- 4.85   0.000% *  0.2765% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.81 +/- 2.15   0.000% *  0.5952% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 74.3:
      O   HB3   TRP   87 - HN    TRP   87   3.09 +/- 0.13  99.992% * 99.8532% (1.00  10.0   3.71  74.34) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.98 +/- 2.18   0.008% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  27.36 +/- 2.10   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.3:
          QB    ALA   88 - HN    TRP   87   4.37 +/- 0.08  93.968% * 96.6989% (0.53   2.25   5.31) =  99.905%  kept
          QG2   THR   77 - HN    TRP   87   7.51 +/- 1.70   5.832% *  1.4638% (0.90   0.02   0.02) =   0.094%
          QG2   THR   23 - HN    TRP   87  13.09 +/- 1.28   0.155% *  0.8587% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  17.24 +/- 3.36   0.039% *  0.3634% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  24.66 +/- 4.07   0.004% *  0.2518% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  27.04 +/- 4.40   0.002% *  0.3634% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.795, support = 2.16, residual support = 19.5:
          QD1   ILE   89 - HN    TRP   87   3.92 +/- 0.75  57.103% * 79.8141% (0.76   2.47  20.80) =  84.553%  kept
          QG2   VAL   83 - HN    TRP   87   4.26 +/- 0.53  42.803% * 19.4514% (0.97   0.48  12.33) =  15.446%  kept
          QD2   LEU   31 - HN    TRP   87  13.15 +/- 3.71   0.095% *  0.7345% (0.87   0.02   1.58) =   0.001%
    Distance limit 4.24 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 = 0.526, support = 1.07, residual support = 14.7:
          QG2   VAL   83 - HE1   TRP   87   2.33 +/- 1.15  88.966% * 24.2266% (0.45   0.85  12.33) =  72.050%  kept
          QD1   ILE   89 - HE1   TRP   87   4.24 +/- 1.03  11.034% * 75.7734% (0.73   1.63  20.80) =  27.950%  kept
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.99 +/- 0.09  94.567% * 83.9922% (0.76   3.33  13.43) =  99.261%  kept
          HA    ALA   88 - HN    ASP-  86   4.97 +/- 0.05   4.555% * 12.9656% (0.69   0.57   0.02) =   0.738%  kept
          HB2   SER   82 - HN    ASP-  86   6.71 +/- 0.44   0.828% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  12.98 +/- 2.66   0.027% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  13.72 +/- 1.54   0.014% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.01 +/- 1.54   0.005% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.18 +/- 1.45   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  20.55 +/- 4.03   0.001% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  28.41 +/- 2.05   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  29.51 +/- 2.73   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  30.77 +/- 2.51   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.04 +/- 0.21  99.992% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  18.12 +/- 1.88   0.003% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  19.69 +/- 3.37   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.08 +/- 1.63   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  24.71 +/- 4.28   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.68 +/- 1.27   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 41.9:
      O   HB2   ASP-  86 - HN    ASP-  86   2.58 +/- 0.26  99.981% * 99.6258% (0.98  10.0   5.06  41.92) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  86  12.64 +/- 1.19   0.014% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  86  14.81 +/- 3.10   0.004% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.86 +/- 3.01   0.000% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  22.87 +/- 4.89   0.000% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.41 +/- 1.68   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.9:
      O   HB3   ASP-  86 - HN    ASP-  86   2.70 +/- 0.55  99.987% * 99.2823% (0.41  10.0   3.56  41.92) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  15.95 +/- 3.93   0.010% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  18.88 +/- 2.92   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  27.11 +/- 4.18   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  26.69 +/- 1.54   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.1:
      O   QB    SER   85 - HN    SER   85   2.17 +/- 0.08  98.732% * 99.3113% (0.76  10.0   3.15  18.14) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.70 +/- 0.11   0.978% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.81 +/- 0.15   0.279% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          QB    SER   48 - HN    SER   85  12.21 +/- 1.63   0.005% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.50 +/- 1.55   0.002% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.10 +/- 1.71   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  13.36 +/- 2.39   0.003% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  21.94 +/- 3.52   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  28.43 +/- 1.57   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  29.68 +/- 2.18   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  31.25 +/- 2.01   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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  99.376% * 99.3529% (0.49  10.0   3.27  20.73) =  99.999%  kept
          HB2   TRP   49 - HN    SER   85  15.69 +/- 3.44   0.517% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    SER   85  11.93 +/- 1.88   0.100% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  19.81 +/- 2.45   0.005% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  26.92 +/- 2.20   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  27.09 +/- 2.06   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.71 +/- 1.20   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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   2.68 +/- 0.16  99.342% * 95.9098% (1.00   3.87  20.73) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.41 +/- 0.39   0.645% *  0.2615% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    SER   85  15.85 +/- 1.72   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  16.58 +/- 1.87   0.002% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  19.95 +/- 3.67   0.001% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  16.76 +/- 2.61   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  18.12 +/- 3.53   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  21.13 +/- 3.15   0.001% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  20.98 +/- 2.40   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  23.52 +/- 1.60   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.41 +/- 2.75   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.22 +/- 3.20   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  23.61 +/- 3.46   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  26.42 +/- 4.00   0.000% *  0.2043% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  30.60 +/- 2.58   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.73 +/- 1.52   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.87, residual support = 17.9:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.04  99.635% * 99.3529% (0.49  10.0   3.87  17.90) = 100.000%  kept
          HB2   TRP   49 - HN    ALA   84  14.89 +/- 3.27   0.259% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   84   9.34 +/- 1.89   0.104% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  19.04 +/- 2.36   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  25.17 +/- 2.15   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.89 +/- 1.03   0.000% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  25.65 +/- 2.07   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 41.8:
          HB    VAL   83 - HN    ALA   84   3.09 +/- 0.22  99.937% * 97.8556% (0.99   5.35  41.81) = 100.000%  kept
          HG3   PRO   93 - HN    ALA   84  14.91 +/- 1.70   0.017% *  0.1943% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  13.94 +/- 1.71   0.018% *  0.1518% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.86 +/- 1.98   0.019% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.78 +/- 1.31   0.005% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  22.39 +/- 3.77   0.001% *  0.2682% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.41 +/- 1.58   0.001% *  0.3564% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  25.51 +/- 2.97   0.000% *  0.3661% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  26.60 +/- 2.22   0.000% *  0.3494% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.83 +/- 3.33   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.75 +/- 3.34   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  31.10 +/- 2.42   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.2, residual support = 17.9:
      O   QB    ALA   84 - HN    ALA   84   2.07 +/- 0.05  97.050% * 99.0428% (0.87  10.0   4.20  17.90) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   3.94 +/- 0.52   2.944% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  14.31 +/- 1.85   0.002% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.33 +/- 2.53   0.001% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  14.45 +/- 1.94   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  18.51 +/- 3.52   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  20.08 +/- 2.98   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  18.89 +/- 2.35   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  16.51 +/- 3.15   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  21.57 +/- 3.23   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  21.40 +/- 1.62   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.99 +/- 3.13   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  25.51 +/- 3.54   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.32 +/- 1.63   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  29.04 +/- 2.58   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.19 +/- 4.03   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 5.9, residual support = 41.4:
          QG1   VAL   83 - HN    ALA   84   4.12 +/- 0.14  83.046% * 93.4528% (0.69   5.96  41.81) =  98.907%  kept
          QD2   LEU   80 - HN    ALA   84   5.45 +/- 0.39  16.749% *  5.1175% (0.95   0.24   0.02) =   1.092%  kept
          QD1   LEU   73 - HN    ALA   84  12.33 +/- 2.00   0.158% *  0.2767% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   84  20.37 +/- 3.30   0.017% *  0.4552% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  17.27 +/- 1.93   0.020% *  0.2767% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  19.51 +/- 2.22   0.011% *  0.4211% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.76, support = 6.22, residual support = 41.3:
          QG2   VAL   83 - HN    ALA   84   3.31 +/- 0.55  87.822% * 88.2791% (0.76   6.30  41.81) =  98.301%  kept
          QD1   ILE   89 - HN    ALA   84   5.72 +/- 1.25  11.879% * 11.2735% (0.49   1.26  13.39) =   1.698%  kept
          QG2   VAL   43 - HN    ALA   84   9.77 +/- 2.29   0.245% *  0.0816% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  12.58 +/- 3.11   0.054% *  0.3658% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 20.1:
          HB2   SER   82 - HN    VAL   83   3.27 +/- 0.18  99.641% * 97.0131% (0.75   4.10  20.09) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.67 +/- 0.18   0.311% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.42 +/- 1.91   0.022% *  0.3787% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  15.71 +/- 2.93   0.012% *  0.4636% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  19.50 +/- 2.27   0.003% *  0.4688% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  18.88 +/- 3.51   0.004% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.09 +/- 1.55   0.005% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  21.52 +/- 3.47   0.002% *  0.4242% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  23.85 +/- 2.85   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  27.55 +/- 1.97   0.000% *  0.2869% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 86.9:
      O   HA    VAL   83 - HN    VAL   83   2.81 +/- 0.03  99.993% * 99.4506% (0.46  10.0   4.70  86.93) = 100.000%  kept
          HB2   CYS   53 - HN    VAL   83  17.33 +/- 1.77   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  16.90 +/- 3.10   0.003% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.22 +/- 1.75   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.48 +/- 1.28   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  24.41 +/- 3.82   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 86.9:
      O   HB    VAL   83 - HN    VAL   83   2.37 +/- 0.40  99.987% * 99.4176% (0.75  10.0   4.77  86.93) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.35 +/- 1.87   0.005% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.78 +/- 1.81   0.003% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.03 +/- 1.99   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  22.44 +/- 4.01   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.61 +/- 1.81   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.81 +/- 1.35   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.79 +/- 3.38   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  27.53 +/- 2.42   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.78 +/- 3.37   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.73 +/- 3.41   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  31.94 +/- 2.67   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.187, support = 0.0198, residual support = 0.0198:
          HB2   LEU   80 - HN    VAL   83   4.10 +/- 0.49  99.638% *  2.8578% (0.19   0.02   0.02) =  99.117%  kept
          HB3   LEU   73 - HN    VAL   83  13.81 +/- 2.78   0.122% *  9.9416% (0.65   0.02   0.02) =   0.422%
          HB3   LYS+  74 - HN    VAL   83  13.85 +/- 1.66   0.099% *  4.7118% (0.31   0.02   0.02) =   0.162%
          QB    LEU   98 - HN    VAL   83  17.32 +/- 3.50   0.035% *  7.8727% (0.52   0.02   0.02) =   0.097%
          HB    VAL   42 - HN    VAL   83  18.86 +/- 2.72   0.017% * 10.5799% (0.70   0.02   0.02) =   0.061%
          HG3   LYS+  33 - HN    VAL   83  20.15 +/- 3.55   0.011% * 11.0607% (0.73   0.02   0.02) =   0.043%
          HB3   PRO   93 - HN    VAL   83  15.99 +/- 1.91   0.056% *  1.7684% (0.12   0.02   0.02) =   0.035%
          HG3   LYS+ 106 - HN    VAL   83  21.01 +/- 3.20   0.010% *  7.4142% (0.49   0.02   0.02) =   0.026%
          QB    ALA   12 - HN    VAL   83  25.21 +/- 4.18   0.003% * 10.5799% (0.70   0.02   0.02) =   0.011%
          HG3   LYS+ 102 - HN    VAL   83  25.51 +/- 3.84   0.003% *  9.5730% (0.63   0.02   0.02) =   0.009%
          HG3   LYS+  65 - HN    VAL   83  25.56 +/- 1.86   0.002% * 10.5799% (0.70   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    VAL   83  26.76 +/- 3.10   0.002% *  8.7588% (0.58   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    VAL   83  28.20 +/- 3.26   0.001% *  4.3014% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 1 structures by 0.38 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 = 0.746, support = 5.32, residual support = 86.7:
          QG1   VAL   83 - HN    VAL   83   2.44 +/- 0.32  94.610% * 93.9688% (0.75   5.34  86.93) =  99.684%  kept
          QD2   LEU   80 - HN    VAL   83   4.43 +/- 0.52   5.163% *  5.4526% (0.31   0.75   0.02) =   0.316%
          QG2   ILE   89 - HN    VAL   83   7.48 +/- 0.73   0.226% *  0.2155% (0.46   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    VAL   83  20.56 +/- 3.56   0.001% *  0.2298% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.66 +/- 2.27   0.000% *  0.1333% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.24, residual support = 86.9:
          QG2   VAL   83 - HN    VAL   83   3.43 +/- 0.54  97.642% * 99.3915% (0.74   5.24  86.93) =  99.991%  kept
          QD1   ILE   89 - HN    VAL   83   7.34 +/- 1.25   2.180% *  0.3736% (0.73   0.02   0.02) =   0.008%
          QD2   LEU   31 - HN    VAL   83  11.72 +/- 3.51   0.178% *  0.2348% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 34.9:
      O   HB2   SER   82 - HN    SER   82   2.09 +/- 0.12  99.984% * 99.3063% (0.87  10.0   4.32  34.86) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.45 +/- 0.22   0.013% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.06 +/- 2.31   0.002% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  17.06 +/- 2.72   0.000% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.59 +/- 1.65   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  23.12 +/- 3.09   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.38 +/- 1.93   0.000% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  20.68 +/- 3.18   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  25.67 +/- 2.14   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  28.99 +/- 1.84   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.87 +/- 2.63   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.71, residual support = 34.9:
      O   HB3   SER   82 - HN    SER   82   3.11 +/- 0.14  99.941% * 99.2682% (0.69  10.0   3.71  34.86) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.08 +/- 0.35   0.052% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  18.36 +/- 2.70   0.003% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  24.53 +/- 2.74   0.001% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.44 +/- 2.16   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  26.06 +/- 2.67   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  26.68 +/- 2.85   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  26.25 +/- 1.88   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.97, residual support = 18.4:
          QB    LYS+  81 - HN    SER   82   2.97 +/- 0.16  99.958% * 96.6476% (0.97   4.97  18.35) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.37 +/- 1.07   0.023% *  0.3723% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  16.51 +/- 2.81   0.005% *  0.2122% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.43 +/- 2.50   0.006% *  0.1514% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  19.02 +/- 2.34   0.002% *  0.3953% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  19.55 +/- 2.78   0.002% *  0.3498% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  21.05 +/- 3.06   0.002% *  0.2929% (0.73   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.70 +/- 1.96   0.001% *  0.3498% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  23.92 +/- 3.74   0.001% *  0.2770% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  26.03 +/- 2.93   0.000% *  0.3082% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  29.05 +/- 2.93   0.000% *  0.2929% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  31.29 +/- 1.90   0.000% *  0.2609% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.53 +/- 1.38   0.000% *  0.0898% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 4.97, residual support = 18.4:
          QG    LYS+  81 - HN    SER   82   4.17 +/- 0.20  99.975% * 98.7317% (0.25   4.97  18.35) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  21.44 +/- 3.29   0.019% *  0.7761% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  22.51 +/- 2.82   0.007% *  0.4921% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.922, support = 4.26, residual support = 18.3:
          QG1   VAL   83 - HN    SER   82   4.47 +/- 0.42  70.295% * 78.8308% (0.95   4.53  20.09) =  90.793%  kept
          QD2   LEU   80 - HN    SER   82   5.42 +/- 0.61  27.740% * 20.2476% (0.69   1.60   0.15) =   9.203%  kept
          QG2   ILE   89 - HN    SER   82   8.50 +/- 0.59   1.780% *  0.1256% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  13.13 +/- 1.84   0.157% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  22.42 +/- 3.11   0.008% *  0.3303% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.76 +/- 2.18   0.007% *  0.2383% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  19.23 +/- 1.77   0.014% *  0.1137% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.21, residual support = 107.1:
      O   QB    LYS+  81 - HN    LYS+  81   2.44 +/- 0.16  99.984% * 99.1460% (0.97  10.0   5.21 107.05) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.91 +/- 1.23   0.009% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  18.99 +/- 3.18   0.002% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.59 +/- 2.42   0.002% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  16.50 +/- 1.97   0.001% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  18.90 +/- 1.84   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.66 +/- 1.95   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.20 +/- 2.13   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  24.45 +/- 2.95   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  25.79 +/- 2.37   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  29.40 +/- 1.90   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.74 +/- 1.62   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.33 +/- 1.31   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.39, residual support = 107.1:
          QG    LYS+  81 - HN    LYS+  81   2.18 +/- 0.30  99.997% * 98.8734% (0.97   5.39 107.05) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.83 +/- 1.02   0.002% *  0.1297% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  22.56 +/- 2.20   0.000% *  0.3509% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.50 +/- 2.11   0.000% *  0.3595% (0.95   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  26.38 +/- 2.73   0.000% *  0.0846% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.72 +/- 2.88   0.000% *  0.1173% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  29.37 +/- 1.97   0.000% *  0.0846% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.336, support = 4.8, residual support = 30.5:
          QD1   LEU   80 - HN    LYS+  81   4.22 +/- 0.41  77.216% * 22.9304% (0.15   4.90  30.55) =  51.237%  kept
          QD2   LEU   80 - HN    LYS+  81   5.29 +/- 0.59  22.562% * 74.6844% (0.53   4.69  30.55) =  48.761%  kept
          QD1   LEU   73 - HN    LYS+  81  12.93 +/- 1.14   0.122% *  0.5435% (0.90   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  81  18.33 +/- 1.56   0.014% *  0.5435% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  15.91 +/- 1.68   0.037% *  0.1685% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  20.23 +/- 1.31   0.008% *  0.5061% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  16.54 +/- 1.96   0.028% *  0.0935% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.73 +/- 2.16   0.008% *  0.3431% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  22.48 +/- 2.46   0.005% *  0.1870% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.12 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.569, support = 3.09, residual support = 12.2:
          HB2   ASP-  78 - HN    GLU-  79   3.33 +/- 0.52  44.780% * 71.4783% (0.60   3.76  16.14) =  67.662%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.08 +/- 0.81  55.195% * 27.7154% (0.51   1.71   4.05) =  32.338%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.92 +/- 0.49   0.018% *  0.0525% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.18 +/- 0.58   0.004% *  0.1596% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.68 +/- 1.58   0.001% *  0.2043% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  18.95 +/- 1.35   0.001% *  0.1079% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.33 +/- 0.56   0.000% *  0.2819% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.04, residual support = 54.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.59 +/- 0.25  99.989% * 98.3341% (0.09  10.0   4.04  54.69) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  13.69 +/- 0.88   0.006% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  15.16 +/- 1.83   0.004% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.00 +/- 1.79   0.001% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.75 +/- 1.43   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.60 +/- 1.82   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  28.09 +/- 1.24   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.86, residual support = 54.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.69 +/- 0.38  99.961% * 99.6469% (0.59  10.0   3.86  54.69) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  11.64 +/- 1.41   0.034% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.33 +/- 0.76   0.002% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.48 +/- 0.81   0.002% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.97 +/- 0.96   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.71 +/- 0.70   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 38.6:
      O   HB3   ASP-  78 - HN    ASP-  78   3.04 +/- 0.60  99.117% * 99.4250% (0.49  10.0   3.95  38.58) =  99.998%  kept
          QE    LYS+  74 - HN    ASP-  78   8.65 +/- 1.31   0.469% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          QB    CYS   50 - HN    ASP-  78   8.57 +/- 1.02   0.408% *  0.1971% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  16.36 +/- 0.81   0.006% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.52 +/- 0.47   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.08, residual support = 36.9:
      O   HB2   ASP-  78 - HN    ASP-  78   2.67 +/- 0.46  80.892% * 82.1223% (0.98  10.0   5.08  38.58) =  95.157%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.06 +/- 0.80  19.095% * 17.7037% (0.84   1.0   5.06   3.06) =   4.843%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.10 +/- 0.77   0.010% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.63 +/- 0.60   0.002% *  0.0344% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  19.80 +/- 1.42   0.001% *  0.0441% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  18.53 +/- 1.37   0.001% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.33 +/- 0.58   0.000% *  0.0608% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 4.59, residual support = 28.1:
      O   HA    THR   77 - HN    ASP-  78   3.50 +/- 0.03  99.506% * 99.9219% (0.92  10.0   4.59  28.13) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  11.43 +/- 2.30   0.416% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  11.72 +/- 0.58   0.075% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.37 +/- 0.79   0.004% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 2.37, residual support = 3.06:
          HA    ASP-  76 - HN    ASP-  78   3.48 +/- 0.18  99.999% * 99.6348% (0.95   2.37   3.06) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.63 +/- 0.92   0.001% *  0.3652% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.79 +/- 0.04  99.752% * 99.8846% (0.98  10.0   4.03  37.75) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.76 +/- 1.92   0.211% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  10.60 +/- 0.76   0.038% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.943, support = 3.51, residual support = 15.0:
          HB2   ASP-  76 - HN    THR   77   4.39 +/- 0.36  67.996% * 60.1806% (1.00   3.64  10.94) =  76.523%  kept
          HB2   ASP-  78 - HN    THR   77   5.16 +/- 0.54  31.950% * 39.2930% (0.76   3.10  28.13) =  23.477%  kept
          HB2   ASN   28 - HN    THR   77  15.73 +/- 0.85   0.034% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  18.66 +/- 1.32   0.013% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.14 +/- 0.62   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.46 +/- 1.18   0.005% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 10.9:
          HB3   ASP-  76 - HN    THR   77   4.20 +/- 0.30  96.474% * 95.2550% (0.57   3.64  10.94) =  99.984%  kept
          HG3   MET   92 - HN    THR   77  10.95 +/- 1.65   0.757% *  0.9250% (1.00   0.02   0.02) =   0.008%
          QG    GLN   90 - HN    THR   77   8.98 +/- 1.22   1.588% *  0.3155% (0.34   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    THR   77   9.28 +/- 0.57   1.027% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  16.80 +/- 0.77   0.027% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.30 +/- 0.90   0.077% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.76 +/- 1.59   0.017% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.92 +/- 1.39   0.010% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  19.36 +/- 1.85   0.012% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.90 +/- 1.11   0.010% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  26.27 +/- 1.46   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.06 +/- 0.22  99.881% * 96.0944% (0.61   4.03  37.75) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.12 +/- 1.01   0.089% *  0.3235% (0.41   0.02   0.60) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.21 +/- 0.96   0.023% *  0.1752% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.12 +/- 0.95   0.005% *  0.7444% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.13 +/- 3.02   0.000% *  0.5090% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.28 +/- 0.74   0.000% *  0.4455% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.82 +/- 1.03   0.001% *  0.2429% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.35 +/- 1.18   0.000% *  0.7057% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.76 +/- 0.66   0.000% *  0.7594% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.31, residual support = 3.29:
          QB    ALA   47 - HN    THR   77   5.17 +/- 1.47  95.938% * 98.4566% (0.90   2.31   3.30) =  99.972%  kept
          QG1   VAL   42 - HN    THR   77  11.65 +/- 0.94   3.014% *  0.7608% (0.80   0.02   0.02) =   0.024%
          QB    ALA   64 - HN    THR   77  13.35 +/- 0.68   0.975% *  0.3566% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HN    THR   77  18.71 +/- 3.34   0.074% *  0.4260% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 8 structures by 1.04 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.5:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.01  99.928% * 99.8428% (0.97  10.0   5.27  84.51) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.45 +/- 0.88   0.057% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.53 +/- 1.36   0.014% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.34 +/- 1.01   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   4.50 +/- 0.29  97.130% * 87.0932% (0.87   0.75   0.75) =  99.935%  kept
          HB3   PHE   72 - HN    VAL   75   8.78 +/- 0.87   2.186% *  2.0462% (0.76   0.02   0.02) =   0.053%
          QG    GLN   90 - HN    VAL   75  13.08 +/- 1.34   0.218% *  1.8392% (0.69   0.02   0.02) =   0.005%
          QG    GLU-  14 - HN    VAL   75  15.10 +/- 1.73   0.104% *  2.2364% (0.84   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    VAL   75  15.09 +/- 1.18   0.076% *  2.5328% (0.95   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  13.11 +/- 0.89   0.178% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.24 +/- 1.60   0.090% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  23.00 +/- 2.80   0.010% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.85 +/- 0.84   0.008% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.12 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 = 0.217, support = 4.3, residual support = 30.7:
          HB3   LYS+  74 - HN    VAL   75   4.21 +/- 0.21  86.852% * 42.7039% (0.20   4.41  31.88) =  96.383%  kept
          HG    LEU   73 - HN    VAL   75   7.63 +/- 0.45   2.640% * 50.1232% (0.76   1.34   0.39) =   3.439%  kept
          HG    LEU   80 - HN    VAL   75   8.18 +/- 2.39   4.747% *  0.8485% (0.87   0.02   0.52) =   0.105%
          HB2   LEU   80 - HN    VAL   75   8.07 +/- 2.12   3.913% *  0.3337% (0.34   0.02   0.52) =   0.034%
          QB    ALA   61 - HN    VAL   75   9.61 +/- 1.11   0.934% *  0.9589% (0.98   0.02   0.02) =   0.023%
          QB    ALA  110 - HN    VAL   75  12.93 +/- 2.69   0.326% *  0.8171% (0.84   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    VAL   75  10.83 +/- 0.88   0.351% *  0.7476% (0.76   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    VAL   75  15.67 +/- 0.86   0.036% *  0.9761% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  15.76 +/- 1.09   0.035% *  0.9030% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.49 +/- 1.64   0.066% *  0.2720% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.67 +/- 1.22   0.056% *  0.2720% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  16.48 +/- 1.03   0.027% *  0.1936% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.38 +/- 1.49   0.006% *  0.6328% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.81 +/- 1.88   0.010% *  0.2178% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.69, residual support = 31.9:
          HG2   LYS+  74 - HN    VAL   75   3.18 +/- 0.63  98.910% * 95.2253% (0.45   5.69  31.88) =  99.994%  kept
          QG2   ILE   56 - HN    VAL   75   9.82 +/- 1.96   0.277% *  0.6481% (0.87   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    VAL   75  10.16 +/- 1.02   0.220% *  0.7211% (0.97   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    VAL   75   9.08 +/- 0.71   0.349% *  0.2549% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.92 +/- 0.62   0.102% *  0.5132% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  12.30 +/- 0.46   0.052% *  0.5132% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.76 +/- 0.47   0.026% *  0.7211% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.69 +/- 1.29   0.059% *  0.3072% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.95 +/- 1.10   0.003% *  0.3637% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.67 +/- 1.02   0.001% *  0.7324% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.939, support = 4.54, residual support = 83.7:
      O   HB    VAL   75 - HN    VAL   75   2.92 +/- 0.56  91.032% * 86.0120% (0.95  10.0   4.51  84.51) =  98.463%  kept
          HG3   LYS+  74 - HN    VAL   75   4.55 +/- 0.40   8.871% * 13.7747% (0.49   1.0   6.22  31.88) =   1.537%  kept
          QD2   LEU   40 - HN    VAL   75  12.11 +/- 0.92   0.035% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  12.59 +/- 0.92   0.025% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  14.01 +/- 1.07   0.013% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  13.32 +/- 1.55   0.024% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.625, support = 0.738, residual support = 1.48:
          QG2   THR   46 - HN    VAL   75   4.27 +/- 1.30  75.590% * 22.7484% (0.69   0.42   1.96) =  70.490%  kept
          QD2   LEU   73 - HN    VAL   75   6.45 +/- 1.07  11.335% * 54.5082% (0.41   1.70   0.39) =  25.328%  kept
          QG1   VAL   43 - HN    VAL   75   6.93 +/- 0.79   5.218% * 17.8622% (0.97   0.24   0.02) =   3.821%  kept
          QG2   VAL   18 - HN    VAL   75   7.42 +/- 1.06   6.188% *  1.2502% (0.80   0.02   0.02) =   0.317%
          QD1   ILE   19 - HN    VAL   75   9.38 +/- 0.62   0.845% *  0.5326% (0.34   0.02   0.02) =   0.018%
          QG1   VAL   41 - HN    VAL   75  11.61 +/- 0.69   0.211% *  1.5578% (1.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    VAL   75  11.72 +/- 0.67   0.182% *  0.8839% (0.57   0.02   0.02) =   0.007%
          QD1   ILE   56 - HN    VAL   75  10.78 +/- 1.76   0.403% *  0.3090% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   75  15.91 +/- 1.22   0.028% *  0.3476% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 1 structures by 0.13 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.5:
          QG1   VAL   75 - HN    VAL   75   3.43 +/- 0.39  99.934% * 99.6866% (0.92   5.27  84.51) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.36 +/- 1.42   0.066% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 5.14, residual support = 84.5:
          QG2   VAL   75 - HN    VAL   75   2.65 +/- 0.62  99.650% * 99.5306% (0.49   5.14  84.51) =  99.999%  kept
          QD1   ILE   89 - HN    VAL   75   9.14 +/- 2.54   0.241% *  0.1982% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   42 - HN    VAL   75   9.34 +/- 0.87   0.109% *  0.2711% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.696, support = 4.39, residual support = 185.2:
      O   HB3   LYS+  74 - HN    LYS+  74   2.63 +/- 0.26  69.130% * 95.3988% (0.71  10.0   4.38 187.88) =  98.195%  kept
          HB3   LEU   73 - HN    LYS+  74   3.14 +/- 0.48  30.249% *  4.0074% (0.11   1.0   5.43  40.97) =   1.805%  kept
          HG12  ILE   19 - HN    LYS+  74   6.65 +/- 0.69   0.384% *  0.0580% (0.43   1.0   0.02   8.28) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  10.37 +/- 2.19   0.034% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   9.76 +/- 2.69   0.060% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.17 +/- 1.30   0.049% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.66 +/- 0.63   0.062% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.59 +/- 1.02   0.007% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  15.76 +/- 2.63   0.006% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.50 +/- 2.75   0.003% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.69 +/- 1.05   0.006% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  12.86 +/- 1.28   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.74 +/- 1.05   0.004% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.24 +/- 1.96   0.000% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.79, residual support = 41.0:
          QD2   LEU   73 - HN    LYS+  74   3.94 +/- 0.27  99.500% * 97.2724% (0.20   5.79  40.97) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74  10.29 +/- 0.66   0.362% *  0.2115% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  12.64 +/- 1.73   0.116% *  0.6354% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  18.63 +/- 2.56   0.016% *  0.6837% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.32 +/- 1.35   0.006% *  1.1970% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.21 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.64, residual support = 41.0:
          HB2   LEU   73 - HN    LYS+  74   3.35 +/- 0.61  99.834% * 97.9373% (0.64   5.64  40.97) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  12.65 +/- 1.42   0.053% *  0.2191% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.85 +/- 1.58   0.021% *  0.3837% (0.70   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.11 +/- 1.64   0.045% *  0.1320% (0.24   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.82 +/- 0.95   0.011% *  0.3862% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.11 +/- 0.82   0.014% *  0.2958% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.04 +/- 1.17   0.011% *  0.1735% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.61 +/- 2.59   0.002% *  0.2504% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.91 +/- 2.76   0.003% *  0.1453% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.47 +/- 1.28   0.005% *  0.0766% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.496, support = 0.02, residual support = 0.02:
          HB2   LEU   71 - HN    LYS+  74   9.24 +/- 0.32  55.488% *  5.8297% (0.27   0.02   0.02) =  36.351%  kept
          HB    VAL   41 - HN    LYS+  74  11.30 +/- 1.43  20.092% * 15.4986% (0.71   0.02   0.02) =  34.993%  kept
          QB    LYS+  66 - HN    LYS+  74  14.06 +/- 0.65   4.752% * 14.9905% (0.68   0.02   0.02) =   8.005%  kept
          HG2   PRO   93 - HN    LYS+  74  14.30 +/- 1.69   5.968% * 11.8708% (0.54   0.02   0.02) =   7.962%  kept
          QB    LYS+  65 - HN    LYS+  74  12.58 +/- 0.72   9.186% *  6.3858% (0.29   0.02   0.02) =   6.592%  kept
          HG12  ILE  103 - HN    LYS+  74  16.67 +/- 1.67   1.847% * 14.6936% (0.67   0.02   0.02) =   3.049%  kept
          HB3   PRO   52 - HN    LYS+  74  17.95 +/- 1.21   1.250% * 11.2793% (0.51   0.02   0.02) =   1.584%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.27 +/- 0.92   0.953% *  8.1723% (0.37   0.02   0.02) =   0.876%  kept
          HG    LEU  123 - HN    LYS+  74  21.73 +/- 2.51   0.464% * 11.2793% (0.51   0.02   0.02) =   0.589%  kept
    Distance limit 4.51 A violated in 20 structures by 3.84 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.781, support = 4.61, residual support = 34.5:
          HB3   PHE   72 - HN    LEU   73   3.81 +/- 0.48  68.738% * 69.2097% (0.76   5.12  39.85) =  84.040%  kept
          HB2   ASP-  44 - HN    LEU   73   4.52 +/- 0.60  30.772% * 29.3558% (0.87   1.91   6.49) =  15.958%  kept
          QG    GLU-  15 - HN    LEU   73  10.36 +/- 1.36   0.226% *  0.3345% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  11.81 +/- 1.55   0.174% *  0.2954% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    LEU   73  13.05 +/- 2.04   0.062% *  0.1206% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  17.85 +/- 1.39   0.007% *  0.2429% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  19.78 +/- 2.27   0.004% *  0.3171% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  17.44 +/- 1.07   0.009% *  0.0619% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.43 +/- 0.93   0.008% *  0.0619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 6.18, residual support = 170.2:
      O   HB2   LEU   73 - HN    LEU   73   3.14 +/- 0.49  99.732% * 99.3783% (0.99  10.0   6.18 170.23) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  12.90 +/- 1.69   0.060% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.51 +/- 1.19   0.098% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  13.06 +/- 0.95   0.025% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  13.91 +/- 1.40   0.023% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.69 +/- 0.97   0.010% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.87 +/- 1.20   0.028% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.25 +/- 1.19   0.007% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.37 +/- 3.07   0.004% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.72 +/- 2.19   0.003% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.57 +/- 0.64   0.010% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.421, support = 5.95, residual support = 156.3:
      O   HB3   LEU   73 - HN    LEU   73   3.51 +/- 0.44  67.290% * 63.5885% (0.41  10.0   6.18 170.23) =  91.507%  kept
          HB    VAL   42 - HN    LEU   73   4.31 +/- 0.68  27.410% * 12.7322% (0.49   1.0   3.38   1.46) =   7.463%  kept
          HB3   LYS+  74 - HN    LEU   73   6.37 +/- 0.38   2.111% * 22.7357% (0.87   1.0   3.39  40.97) =   1.026%  kept
          HG12  ILE   19 - HN    LEU   73   6.79 +/- 1.30   2.651% *  0.0430% (0.28   1.0   0.02   4.00) =   0.002%
          QB    LEU   98 - HN    LEU   73   9.38 +/- 0.95   0.224% *  0.1543% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  11.99 +/- 0.78   0.049% *  0.0876% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  11.93 +/- 0.87   0.050% *  0.0753% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  13.11 +/- 2.36   0.035% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.01 +/- 2.08   0.015% *  0.1428% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.38 +/- 2.34   0.059% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  12.76 +/- 2.78   0.056% *  0.0306% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.32 +/- 2.11   0.011% *  0.1292% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.23 +/- 1.17   0.031% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.85 +/- 1.06   0.005% *  0.0581% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.53 +/- 1.63   0.003% *  0.0477% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.974, support = 7.9, residual support = 168.6:
          QD2   LEU   73 - HN    LEU   73   2.49 +/- 0.54  91.919% * 86.8376% (0.98   7.96 170.23) =  98.988%  kept
          QG1   VAL   43 - HN    LEU   73   4.89 +/- 0.82   6.500% * 12.5361% (0.38   3.00   7.84) =   1.011%  kept
          QG2   VAL   18 - HN    LEU   73   5.74 +/- 0.94   1.167% *  0.0441% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   73   7.60 +/- 0.92   0.318% *  0.1261% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   73   9.37 +/- 0.98   0.077% *  0.2222% (1.00   0.02   3.36) =   0.000%
          QD1   ILE   56 - HN    LEU   73  11.57 +/- 1.17   0.016% *  0.1783% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.31 +/- 1.50   0.002% *  0.0555% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.567, support = 6.05, residual support = 166.3:
          QD1   LEU   73 - HN    LEU   73   4.09 +/- 0.13  78.427% * 81.2922% (0.57   6.18 170.23) =  97.716%  kept
          QG2   VAL   41 - HN    LEU   73   6.18 +/- 0.89   9.926% * 11.2373% (0.61   0.80   0.02) =   1.710%  kept
          QD1   LEU   63 - HN    LEU   73   7.24 +/- 1.47   5.599% *  6.4043% (0.57   0.49   0.02) =   0.550%  kept
          QD2   LEU   63 - HN    LEU   73   8.19 +/- 1.30   2.002% *  0.4647% (1.00   0.02   0.02) =   0.014%
          QD2   LEU   98 - HN    LEU   73   7.80 +/- 1.28   2.777% *  0.1911% (0.41   0.02   0.02) =   0.008%
          QD1   LEU   80 - HN    LEU   73  10.75 +/- 2.37   0.382% *  0.1911% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   9.63 +/- 2.12   0.696% *  0.1035% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.27 +/- 1.84   0.191% *  0.1159% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.509, support = 1.06, residual support = 1.18:
          QG1   VAL   42 - HN    LEU   73   3.01 +/- 0.96  92.361% * 22.4482% (0.45   0.85   1.46) =  78.034%  kept
          QB    ALA   64 - HN    LEU   73   5.66 +/- 0.54   7.611% * 76.6821% (0.73   1.80   0.19) =  21.965%  kept
          QB    ALA   47 - HN    LEU   73  12.85 +/- 0.50   0.024% *  0.6642% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  18.48 +/- 1.88   0.004% *  0.2055% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 1.94, residual support = 7.8:
          QG2   VAL   43 - HN    LEU   73   4.78 +/- 0.74  80.177% * 91.8230% (0.25   1.96   7.84) =  99.022%  kept
          QD2   LEU   31 - HN    LEU   73   6.69 +/- 1.06  18.459% *  3.7604% (1.00   0.02   3.36) =   0.934%  kept
          QG2   VAL   83 - HN    LEU   73  11.08 +/- 2.67   0.946% *  2.7306% (0.73   0.02   0.02) =   0.035%
          QD1   ILE   89 - HN    LEU   73  12.60 +/- 2.70   0.418% *  1.6859% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.52 A violated in 1 structures by 0.28 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 5.01, residual support = 88.6:
      O   HB2   PHE   72 - HN    PHE   72   2.90 +/- 0.54  95.541% * 79.6694% (0.53  10.0   5.03  89.21) =  98.852%  kept
          HA    ALA   64 - HN    PHE   72   5.44 +/- 0.41   4.358% * 20.2772% (0.97   1.0   2.78  39.53) =   1.148%  kept
          HB3   ASN   69 - HN    PHE   72   9.87 +/- 0.35   0.094% *  0.0234% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  15.14 +/- 0.96   0.007% *  0.0300% (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 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 89.2:
      O   HB3   PHE   72 - HN    PHE   72   2.98 +/- 0.68  96.617% * 99.3598% (0.76  10.0   5.27  89.21) =  99.996%  kept
          QG    GLU-  15 - HN    PHE   72   6.66 +/- 1.35   2.608% *  0.1230% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    PHE   72   9.01 +/- 1.58   0.370% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    PHE   72   8.20 +/- 0.60   0.355% *  0.1128% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  13.61 +/- 1.99   0.030% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  16.94 +/- 1.78   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.75 +/- 1.62   0.010% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  21.72 +/- 1.36   0.001% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.35 +/- 1.12   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 3.95, residual support = 19.3:
          HG    LEU   71 - HN    PHE   72   4.60 +/- 0.80  50.276% * 90.5371% (0.99   4.11  20.18) =  95.800%  kept
          HG13  ILE   19 - HN    PHE   72   5.23 +/- 1.44  39.501% *  4.2035% (0.95   0.20   0.02) =   3.495%  kept
          QG2   THR   39 - HN    PHE   72   6.08 +/- 0.65   9.541% *  3.4843% (0.65   0.24   0.02) =   0.700%  kept
          HG2   LYS+  74 - HN    PHE   72   9.73 +/- 1.20   0.498% *  0.4433% (1.00   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    PHE   72  13.57 +/- 1.30   0.067% *  0.4443% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  13.47 +/- 1.12   0.064% *  0.0989% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.47 +/- 0.98   0.030% *  0.1668% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.63 +/- 0.97   0.013% *  0.2874% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  20.74 +/- 2.49   0.006% *  0.1827% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.39 +/- 2.14   0.004% *  0.1516% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.96, support = 5.4, residual support = 20.3:
          QD2   LEU   71 - HN    PHE   72   3.29 +/- 0.32  89.049% * 91.2902% (0.97   5.43  20.18) =  99.156%  kept
          QD1   LEU   67 - HN    PHE   72   6.65 +/- 1.57   9.077% *  7.6029% (0.31   1.41  35.14) =   0.842%  kept
          QD2   LEU   40 - HN    PHE   72   7.21 +/- 0.91   1.622% *  0.0968% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   72   9.94 +/- 0.96   0.147% *  0.1832% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  13.04 +/- 2.32   0.052% *  0.3361% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.59 +/- 1.29   0.029% *  0.3475% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.38 +/- 0.72   0.025% *  0.1432% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.482, support = 1.49, residual support = 17.9:
          HA    VAL   18 - HN    PHE   72   4.31 +/- 0.67  73.659% * 26.8871% (0.31   1.50   6.27) =  64.357%  kept
          HA    VAL   70 - HN    PHE   72   5.81 +/- 0.18  15.732% * 69.3011% (0.80   1.49  39.07) =  35.427%  kept
          HA1   GLY   16 - HN    PHE   72   7.13 +/- 1.59   9.859% *  0.6130% (0.53   0.02   0.02) =   0.196%
          HB2   SER   37 - HN    PHE   72  10.81 +/- 0.89   0.448% *  1.0107% (0.87   0.02   0.02) =   0.015%
          HA    LYS+  33 - HN    PHE   72  12.75 +/- 1.03   0.177% *  0.5671% (0.49   0.02   0.02) =   0.003%
          HA    GLU-  29 - HN    PHE   72  14.21 +/- 1.02   0.089% *  0.3974% (0.34   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    PHE   72  17.25 +/- 2.10   0.030% *  0.9330% (0.80   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    PHE   72  21.95 +/- 2.32   0.006% *  0.2905% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 6.23, residual support = 32.5:
          HB    VAL   70 - HN    LEU   71   4.08 +/- 0.21  98.222% * 98.9262% (0.98   6.23  32.52) =  99.996%  kept
          QG    GLN   17 - HN    LEU   71  10.03 +/- 1.13   0.657% *  0.3235% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  10.60 +/- 1.16   0.440% *  0.2098% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  11.01 +/- 1.66   0.386% *  0.0722% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  11.04 +/- 0.60   0.273% *  0.0901% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.83 +/- 0.79   0.011% *  0.3214% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.20 +/- 0.46   0.010% *  0.0568% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.36, residual support = 139.0:
      O   HB2   LEU   71 - HN    LEU   71   2.67 +/- 0.23  99.544% * 99.5111% (0.98  10.0   6.36 139.01) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   7.13 +/- 0.66   0.352% *  0.0455% (0.45   1.0   0.02   4.37) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.12 +/- 1.43   0.021% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.38 +/- 0.62   0.032% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.51 +/- 0.29   0.017% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.55 +/- 1.19   0.022% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.78 +/- 1.22   0.010% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.30 +/- 1.24   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.971, support = 5.59, residual support = 130.8:
          HG    LEU   71 - HN    LEU   71   4.14 +/- 0.75  28.684% * 95.9464% (0.99   5.92 139.01) =  94.114%  kept
          QG2   THR   39 - HN    LEU   71   3.36 +/- 0.55  70.485% *  2.4384% (0.65   0.23   0.23) =   5.878%  kept
          HG13  ILE   19 - HN    LEU   71   8.82 +/- 1.64   0.479% *  0.3092% (0.95   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    LEU   71   9.36 +/- 1.40   0.285% *  0.3269% (1.00   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    LEU   71  13.33 +/- 1.12   0.020% *  0.3262% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.89 +/- 0.91   0.035% *  0.1227% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  15.21 +/- 0.98   0.009% *  0.0728% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  19.14 +/- 1.08   0.002% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  22.19 +/- 2.81   0.001% *  0.1344% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.03 +/- 2.23   0.001% *  0.1115% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.9, support = 5.96, residual support = 91.1:
          QD1   LEU   71 - HN    LEU   71   3.64 +/- 0.86  57.244% * 46.9085% (0.84   6.09 139.01) =  55.022%  kept
          QG1   VAL   70 - HN    LEU   71   3.96 +/- 0.21  41.809% * 52.4998% (0.98   5.81  32.52) =  44.976%  kept
          QG1   VAL   18 - HN    LEU   71   9.17 +/- 0.74   0.325% *  0.1845% (1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   71   9.04 +/- 1.09   0.384% *  0.1267% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  12.77 +/- 3.25   0.111% *  0.1541% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.66 +/- 1.12   0.087% *  0.0898% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  15.99 +/- 2.19   0.041% *  0.0365% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 6.43, residual support = 32.5:
          QG2   VAL   70 - HN    LEU   71   2.34 +/- 0.18 100.000% *100.0000% (0.73   6.43  32.52) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.2:
      O   HB    VAL   70 - HN    VAL   70   2.74 +/- 0.38  99.813% * 99.6297% (0.76  10.0   4.31  81.20) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.74 +/- 0.99   0.163% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  13.39 +/- 1.11   0.013% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.82 +/- 1.23   0.009% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.08 +/- 1.13   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.70 +/- 2.02   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.708, support = 0.484, residual support = 2.24:
          HB3   LEU   67 - HN    VAL   70   4.09 +/- 1.17  66.088% * 13.0117% (0.87   0.24   0.44) =  52.402%  kept
          HG    LEU   67 - HN    VAL   70   5.25 +/- 1.13  27.387% * 23.4903% (0.49   0.76   0.44) =  39.203%  kept
          HG    LEU   40 - HN    VAL   70   7.31 +/- 0.66   2.255% * 37.6177% (0.61   0.98  35.45) =   5.169%  kept
          QG    LYS+  66 - HN    VAL   70   8.50 +/- 1.22   2.595% * 19.9429% (0.98   0.32   0.02) =   3.153%  kept
          HG12  ILE   19 - HN    VAL   70   9.56 +/- 1.60   1.102% *  0.5200% (0.41   0.02   0.02) =   0.035%
          HG    LEU   73 - HN    VAL   70  10.47 +/- 0.97   0.305% *  1.2537% (0.99   0.02   0.02) =   0.023%
          QB    ALA   61 - HN    VAL   70  10.74 +/- 0.48   0.203% *  0.9185% (0.73   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    VAL   70  18.19 +/- 2.24   0.033% *  0.6157% (0.49   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  16.22 +/- 1.07   0.017% *  0.7672% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    VAL   70  17.08 +/- 1.94   0.011% *  1.1966% (0.95   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   70  21.97 +/- 2.82   0.004% *  0.6655% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.925, support = 4.81, residual support = 80.3:
          QG1   VAL   70 - HN    VAL   70   2.56 +/- 0.49  97.490% * 53.2025% (0.92   4.83  81.20) =  98.113%  kept
          QD1   LEU   71 - HN    VAL   70   6.28 +/- 1.20   2.164% * 46.0782% (1.00   3.86  32.52) =   1.886%  kept
          QD1   LEU  123 - HN    VAL   70  10.79 +/- 3.01   0.094% *  0.2388% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.11 +/- 0.92   0.176% *  0.0815% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70   9.64 +/- 1.00   0.070% *  0.1995% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.21 +/- 1.65   0.007% *  0.1995% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.2:
          QG2   VAL   70 - HN    VAL   70   3.73 +/- 0.15 100.000% *100.0000% (0.98   3.89  81.20) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.6:
      O   HB2   ASN   69 - HD22  ASN   69   3.86 +/- 0.28  96.746% * 99.7633% (0.55  10.0   2.99  59.59) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69  10.23 +/- 3.03   3.166% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  15.17 +/- 2.40   0.083% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.60 +/- 1.24   0.002% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.76 +/- 1.22   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.68 +/- 1.72   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.27, residual support = 26.0:
          QG1   VAL   70 - HD22  ASN   69   3.62 +/- 1.26  88.771% * 92.0052% (0.56   3.29  26.23) =  99.265%  kept
          QD1   LEU   71 - HD22  ASN   69   8.61 +/- 1.92   9.517% *  6.2660% (0.53   0.24   0.02) =   0.725%  kept
          QD1   LEU  123 - HD22  ASN   69  10.44 +/- 3.63   1.280% *  0.5303% (0.53   0.02   0.02) =   0.008%
          HB3   LEU   63 - HD22  ASN   69  10.58 +/- 1.73   0.265% *  0.2949% (0.30   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  12.56 +/- 1.93   0.105% *  0.3626% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   18 - HD22  ASN   69  13.10 +/- 1.09   0.062% *  0.5410% (0.54   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.58 +/- 0.61 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.2:
          HD2   PRO   68 - HN    ASN   69   3.03 +/- 0.59  99.935% * 99.1839% (0.80   5.97  31.18) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  11.85 +/- 0.89   0.059% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.33 +/- 0.91   0.004% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.54 +/- 0.68   0.002% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 31.2:
          HD3   PRO   68 - HN    ASN   69   3.48 +/- 0.71  99.970% * 98.4652% (0.99   5.97  31.18) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  15.72 +/- 1.05   0.022% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.04 +/- 1.27   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.92 +/- 1.30   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  23.70 +/- 1.64   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.09 +/- 2.22   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.512, support = 0.0199, residual support = 0.0199:
          HA    ALA   64 - HN    ASN   69   6.48 +/- 0.92  82.645% * 14.1837% (0.31   0.02   0.02) =  62.846%  kept
          QE    LYS+  66 - HN    ASN   69   9.18 +/- 1.48  17.157% * 39.8620% (0.87   0.02   0.02) =  36.666%  kept
          HB3   ASN   35 - HN    ASN   69  18.47 +/- 1.03   0.198% * 45.9543% (1.00   0.02   0.02) =   0.488%
    Distance limit 3.88 A violated in 18 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.2:
          HB    VAL   70 - HN    ASN   69   4.38 +/- 0.42  98.424% * 89.1826% (0.15   3.84  26.23) =  99.986%  kept
          QG    GLN   17 - HN    ASN   69   9.52 +/- 1.07   1.371% *  0.5953% (0.20   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    ASN   69  14.29 +/- 1.23   0.119% *  2.9816% (0.99   0.02   0.02) =   0.004%
          QB    GLU-  36 - HN    ASN   69  15.68 +/- 1.13   0.060% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.91 +/- 1.84   0.008% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  20.44 +/- 1.24   0.011% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.40 +/- 0.95   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  31.16 +/- 1.57   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.06 +/- 1.23   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.922, support = 6.03, residual support = 31.2:
      O   HB3   PRO   68 - HN    ASN   69   4.25 +/- 0.39  30.146% * 95.4467% (0.99  10.0   6.04  31.18) =  91.880%  kept
          HG2   PRO   68 - HN    ASN   69   3.72 +/- 1.09  64.562% *  3.9329% (0.14   1.0   6.04  31.18) =   8.108%  kept
          QB    GLU-  15 - HN    ASN   69   7.04 +/- 1.36   4.873% *  0.0699% (0.73   1.0   0.02   0.02) =   0.011%
          HB2   GLN   17 - HN    ASN   69  11.36 +/- 1.31   0.170% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.80 +/- 2.25   0.048% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.86 +/- 0.82   0.118% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  16.01 +/- 1.16   0.019% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  15.41 +/- 1.42   0.026% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  15.96 +/- 1.74   0.019% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.07 +/- 2.46   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.37 +/- 1.69   0.008% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  20.57 +/- 2.82   0.005% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.92 +/- 1.03   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.33 +/- 1.66   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 31.2:
          HG3   PRO   68 - HN    ASN   69   3.90 +/- 0.52  99.646% * 92.7613% (0.38   5.49  31.18) =  99.998%  kept
          HB3   LYS+  38 - HN    ASN   69  13.74 +/- 1.12   0.070% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  13.74 +/- 1.53   0.083% *  0.5458% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.26 +/- 1.54   0.073% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  15.69 +/- 1.68   0.040% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.61 +/- 1.25   0.037% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.67 +/- 1.63   0.011% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.40 +/- 1.06   0.018% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.76 +/- 1.91   0.015% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.31 +/- 1.76   0.002% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.85 +/- 1.78   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  27.36 +/- 1.02   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  30.65 +/- 1.62   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.2:
          QG1   VAL   70 - HN    ASN   69   3.29 +/- 0.65  97.659% * 97.9096% (0.73   4.46  26.23) =  99.992%  kept
          QD1   LEU   71 - HN    ASN   69   8.05 +/- 1.37   1.426% *  0.2942% (0.49   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    ASN   69   9.18 +/- 1.01   0.362% *  0.5833% (0.97   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    ASN   69  10.26 +/- 2.93   0.414% *  0.2942% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.14 +/- 1.07   0.096% *  0.5049% (0.84   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    ASN   69  18.70 +/- 2.66   0.019% *  0.2942% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  14.07 +/- 1.96   0.024% *  0.1196% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 19.4:
          HD2   PRO   68 - HN    LEU   67   4.12 +/- 0.55  77.995% * 96.2248% (1.00   3.97  19.33) =  99.264%  kept
          HA    VAL   24 - HE3   TRP   27   5.55 +/- 0.76  19.052% *  2.8511% (0.04   2.73  23.20) =   0.718%  kept
          HA    ALA   61 - HN    LEU   67   7.39 +/- 0.32   2.757% *  0.4693% (0.97   0.02   0.02) =   0.017%
          HD3   PRO   58 - HN    LEU   67  13.19 +/- 0.57   0.093% *  0.1501% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.32 +/- 1.25   0.070% *  0.0590% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  21.05 +/- 1.04   0.006% *  0.1659% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.22 +/- 1.40   0.015% *  0.0610% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.46 +/- 1.62   0.012% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.36, residual support = 19.3:
          HD3   PRO   68 - HN    LEU   67   3.75 +/- 0.76  99.548% * 97.4242% (0.76   4.36  19.33) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  10.90 +/- 0.77   0.309% *  0.2406% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  16.68 +/- 0.88   0.024% *  0.4020% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.58 +/- 1.21   0.013% *  0.5535% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.76 +/- 1.67   0.010% *  0.4686% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.19 +/- 2.04   0.006% *  0.5736% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  17.23 +/- 1.17   0.019% *  0.0696% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  17.14 +/- 1.39   0.021% *  0.0589% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.88 +/- 2.11   0.024% *  0.0302% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.44 +/- 1.19   0.012% *  0.0562% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.74 +/- 1.09   0.008% *  0.0505% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  23.02 +/- 2.69   0.005% *  0.0721% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.634, support = 1.35, residual support = 4.33:
          HA    ALA   64 - HN    LEU   67   3.19 +/- 0.28  96.926% * 20.7910% (0.65   0.98   3.59) =  89.461%  kept
          QE    LYS+  66 - HN    LEU   67   5.97 +/- 0.51   3.024% * 78.4948% (0.53   4.54  10.60) =  10.539%  kept
          HB3   ASN   35 - HE3   TRP   27  12.89 +/- 1.30   0.027% *  0.0689% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.59 +/- 0.97   0.019% *  0.0534% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  21.57 +/- 0.89   0.001% *  0.5485% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.60 +/- 1.19   0.002% *  0.0434% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.79, residual support = 58.0:
      O   HB2   LEU   67 - HN    LEU   67   2.73 +/- 0.35  96.840% * 82.2298% (0.61  10.0   4.79  58.26) =  99.453%  kept
          HG2   PRO   68 - HN    LEU   67   5.73 +/- 0.73   2.548% * 17.1906% (0.65   1.0   3.92  19.33) =   0.547%  kept
          HB    VAL   18 - HN    LEU   67   9.23 +/- 1.21   0.160% *  0.0462% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   7.43 +/- 0.86   0.317% *  0.0096% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.45 +/- 0.80   0.029% *  0.0768% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  13.86 +/- 0.67   0.007% *  0.1308% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.16 +/- 0.93   0.006% *  0.1282% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.30 +/- 1.39   0.005% *  0.0660% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.87 +/- 0.29   0.058% *  0.0034% (0.02   1.0   0.02   0.27) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.75 +/- 0.83   0.022% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.16 +/- 1.22   0.004% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.56 +/- 1.22   0.001% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.94 +/- 1.65   0.001% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.21 +/- 1.18   0.001% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.20 +/- 0.95   0.001% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  21.67 +/- 1.58   0.001% *  0.0164% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.78 +/- 0.67   0.000% *  0.0268% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.82 +/- 1.90   0.001% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.942, support = 4.36, residual support = 10.4:
          QB    LYS+  66 - HN    LEU   67   3.07 +/- 0.32  88.340% * 78.6272% (0.95   4.44  10.60) =  97.670%  kept
          QB    LYS+  65 - HN    LEU   67   4.74 +/- 0.27   8.631% * 19.1811% (0.76   1.34   0.02) =   2.328%  kept
          HB    VAL   41 - HE3   TRP   27   7.98 +/- 1.69   2.021% *  0.0377% (0.10   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   67  10.92 +/- 3.15   0.144% *  0.1406% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.47 +/- 1.22   0.241% *  0.0834% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   8.36 +/- 1.65   0.494% *  0.0342% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.65 +/- 0.48   0.056% *  0.2721% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.66 +/- 0.64   0.008% *  0.3000% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.29 +/- 2.09   0.004% *  0.3250% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  17.94 +/- 1.76   0.003% *  0.3714% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  13.56 +/- 2.36   0.021% *  0.0305% (0.08   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  18.28 +/- 1.77   0.002% *  0.2424% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.41 +/- 1.70   0.009% *  0.0409% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.69 +/- 1.77   0.006% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  20.55 +/- 2.03   0.001% *  0.1406% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  16.90 +/- 1.08   0.003% *  0.0446% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.45 +/- 0.85   0.004% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  14.85 +/- 1.30   0.009% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.75 +/- 1.54   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  24.07 +/- 3.49   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.558, support = 4.84, residual support = 54.0:
      O   HB3   LEU   67 - HN    LEU   67   3.38 +/- 0.47  37.226% * 38.7596% (0.25  10.0   4.29  58.26) =  51.333%  kept
          HG    LEU   67 - HN    LEU   67   3.92 +/- 0.82  25.711% * 43.3503% (1.00   1.0   5.59  58.26) =  39.654%  kept
          QG    LYS+  66 - HN    LEU   67   4.09 +/- 0.58  14.455% * 15.8539% (0.41   1.0   4.96  10.60) =   8.153%  kept
          HG    LEU   73 - HE3   TRP   27   4.26 +/- 1.14  22.146% *  1.0898% (0.08   1.0   1.84  20.11) =   0.859%  kept
          QB    ALA   61 - HN    LEU   67   7.50 +/- 0.37   0.255% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.70 +/- 1.99   0.050% *  0.1068% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   67  10.67 +/- 0.77   0.030% *  0.1541% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67  10.61 +/- 1.08   0.037% *  0.0697% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  12.76 +/- 0.95   0.011% *  0.1541% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.67 +/- 1.27   0.012% *  0.0943% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.53 +/- 1.73   0.009% *  0.1068% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  11.88 +/- 1.77   0.022% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.24 +/- 2.10   0.001% *  0.1129% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.83 +/- 1.61   0.013% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  16.63 +/- 1.41   0.002% *  0.0195% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.73 +/- 2.32   0.002% *  0.0142% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.48 +/- 1.20   0.009% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.94 +/- 1.94   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.64 +/- 1.54   0.004% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  17.75 +/- 1.19   0.001% *  0.0080% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.29 +/- 2.00   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.56 +/- 2.23   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.98, residual support = 58.2:
          QD1   LEU   67 - HN    LEU   67   3.99 +/- 0.39  90.575% * 92.8937% (0.31   3.98  58.26) =  99.908%  kept
          QG2   ILE  119 - HN    LEU   67   8.18 +/- 2.06   3.657% *  1.4583% (0.97   0.02   0.02) =   0.063%
          QD2   LEU   71 - HN    LEU   67   8.69 +/- 0.67   0.949% *  1.4583% (0.97   0.02   0.02) =   0.016%
          QD2   LEU   71 - HE3   TRP   27   8.39 +/- 1.42   2.234% *  0.1833% (0.12   0.02   0.02) =   0.005%
          QD2   LEU   40 - HN    LEU   67   9.17 +/- 0.93   0.920% *  0.4201% (0.28   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    LEU   67  13.87 +/- 1.36   0.065% *  0.7950% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HE3   TRP   27  10.05 +/- 0.85   0.497% *  0.0999% (0.07   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  16.06 +/- 1.58   0.028% *  1.5077% (1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  11.83 +/- 2.03   0.217% *  0.1895% (0.13   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27   9.98 +/- 1.35   0.596% *  0.0528% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.79 +/- 1.42   0.044% *  0.6212% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.98 +/- 1.29   0.096% *  0.0781% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.73 +/- 1.32   0.104% *  0.0586% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  18.03 +/- 2.41   0.018% *  0.1833% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.16 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.01, residual support = 24.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.52 +/- 0.06  98.923% * 98.9277% (0.61  10.0   6.01  24.90) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  66   8.14 +/- 0.82   0.784% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  10.75 +/- 2.17   0.196% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.12 +/- 1.75   0.052% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.74 +/- 0.99   0.033% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.81 +/- 1.67   0.007% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  20.65 +/- 1.39   0.003% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.59 +/- 1.08   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  27.01 +/- 1.34   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 6.19:
          HA    LEU   63 - HN    LYS+  66   3.53 +/- 0.40  99.996% * 98.5973% (0.99   1.61   6.19) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.10 +/- 0.91   0.002% *  0.8488% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  22.03 +/- 1.29   0.002% *  0.5540% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.891, support = 3.85, residual support = 15.6:
          HA    ALA   64 - HN    LYS+  66   4.04 +/- 0.37  79.082% * 74.9599% (0.95   3.74   7.68) =  92.444%  kept
          QE    LYS+  66 - HN    LYS+  66   5.23 +/- 0.47  19.581% * 24.7393% (0.22   5.24 112.62) =   7.554%  kept
          HB2   PHE   72 - HN    LYS+  66   8.06 +/- 0.76   1.335% *  0.0944% (0.22   0.02   0.17) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  23.46 +/- 0.94   0.002% *  0.2064% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.674, support = 5.08, residual support = 105.8:
      O   QB    LYS+  66 - HN    LYS+  66   2.25 +/- 0.12  84.307% * 68.5888% (0.65  10.0   5.02 112.62) =  92.259%  kept
          QB    LYS+  65 - HN    LYS+  66   3.01 +/- 0.21  15.665% * 30.9704% (0.99   1.0   5.89  24.90) =   7.741%  kept
          HB3   GLN   17 - HN    LYS+  66   9.47 +/- 1.22   0.022% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.36 +/- 0.46   0.003% *  0.1039% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.15 +/- 1.87   0.001% *  0.0951% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.85 +/- 1.94   0.000% *  0.1058% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  16.24 +/- 0.69   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.67 +/- 1.67   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.41, support = 3.89, residual support = 76.1:
          QG    LYS+  66 - HN    LYS+  66   3.19 +/- 0.55  85.705% * 21.9544% (0.15   4.53 112.62) =  64.198%  kept
          HG    LEU   67 - HN    LYS+  66   5.57 +/- 1.22  14.020% * 74.8327% (0.87   2.74  10.60) =  35.797%  kept
          QB    ALA  120 - HN    LYS+  66  10.53 +/- 1.60   0.103% *  0.6067% (0.97   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LYS+  66  12.52 +/- 1.57   0.033% *  0.6067% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  11.93 +/- 0.90   0.041% *  0.4804% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  12.67 +/- 1.13   0.027% *  0.5034% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  66  12.55 +/- 0.81   0.028% *  0.4804% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.70 +/- 1.20   0.021% *  0.1748% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.29 +/- 0.70   0.021% *  0.1244% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.00 +/- 2.01   0.001% *  0.2359% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.55, residual support = 7.68:
          QB    ALA   64 - HN    LYS+  66   4.35 +/- 0.17 100.000% *100.0000% (0.95   3.55   7.68) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 163.3:
      O   HA    LYS+  65 - HN    LYS+  65   2.83 +/- 0.05  99.655% * 99.3218% (0.64  10.0   6.08 163.31) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.64 +/- 0.72   0.309% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.56 +/- 1.87   0.018% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.89 +/- 1.46   0.006% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.96 +/- 1.54   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.72 +/- 0.82   0.006% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  18.91 +/- 1.52   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  20.21 +/- 1.03   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.39 +/- 1.15   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  25.63 +/- 1.28   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.50 +/- 0.87   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  27.52 +/- 1.59   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 28.2:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.04  94.983% * 99.9016% (0.65  10.0   4.73  28.16) =  99.999%  kept
          HB2   PHE   72 - HN    LYS+  65   6.65 +/- 0.57   2.726% *  0.0235% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  66 - HN    LYS+  65   7.06 +/- 0.81   2.290% *  0.0235% (0.15   1.0   0.02  24.90) =   0.001%
          HB3   ASN   35 - HN    LYS+  65  23.11 +/- 0.82   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 6.6, residual support = 162.3:
      O   QB    LYS+  65 - HN    LYS+  65   2.32 +/- 0.13  97.393% * 76.4579% (0.53  10.0   6.62 163.31) =  99.248%  kept
          QB    LYS+  66 - HN    LYS+  65   4.36 +/- 0.21   2.448% * 23.0413% (0.65   1.0   4.87  24.90) =   0.752%  kept
          HB3   GLN   17 - HN    LYS+  65   7.70 +/- 1.11   0.143% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  11.90 +/- 0.35   0.006% *  0.0726% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.62 +/- 2.23   0.007% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.13 +/- 1.86   0.001% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.95 +/- 0.78   0.001% *  0.0801% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.48 +/- 1.71   0.000% *  0.0868% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.88 +/- 1.44   0.000% *  0.0647% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.56 +/- 1.75   0.000% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 5.43, residual support = 163.3:
          HG2   LYS+  65 - HN    LYS+  65   2.62 +/- 0.44  99.368% * 91.2824% (0.14   5.43 163.31) =  99.994%  kept
          HG    LEU   67 - HN    LYS+  65   7.19 +/- 0.95   0.514% *  0.8943% (0.36   0.02   0.02) =   0.005%
          QB    ALA  120 - HN    LYS+  65  12.00 +/- 1.37   0.018% *  1.6080% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  65  11.15 +/- 0.68   0.029% *  0.8274% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  12.77 +/- 1.31   0.014% *  1.6080% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+  65  13.22 +/- 1.10   0.009% *  1.6961% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.08 +/- 0.97   0.020% *  0.6988% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  13.01 +/- 0.83   0.010% *  0.6988% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  13.99 +/- 2.54   0.012% *  0.2623% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  14.78 +/- 0.74   0.005% *  0.4239% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.208, support = 4.96, residual support = 145.6:
          HG3   LYS+  65 - HN    LYS+  65   3.32 +/- 0.47  90.065% * 43.6444% (0.17   5.30 163.31) =  89.055%  kept
          HB2   LEU   63 - HN    LYS+  65   5.03 +/- 0.25   9.505% * 50.8111% (0.50   2.12   1.21) =  10.941%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.58 +/- 0.75   0.130% *  0.5513% (0.58   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  12.74 +/- 2.17   0.049% *  0.6243% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65  10.09 +/- 0.62   0.148% *  0.1646% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.57 +/- 1.81   0.023% *  0.6542% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  12.71 +/- 0.65   0.040% *  0.2037% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.77 +/- 1.70   0.008% *  0.6542% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.67 +/- 1.54   0.008% *  0.2713% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.49 +/- 1.42   0.006% *  0.3472% (0.36   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  20.05 +/- 1.04   0.002% *  0.6585% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.07 +/- 2.04   0.004% *  0.2477% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  22.06 +/- 1.91   0.001% *  0.4003% (0.42   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.48 +/- 1.00   0.002% *  0.2959% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  18.01 +/- 1.43   0.005% *  0.1156% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.81 +/- 0.74   0.003% *  0.1306% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.20 +/- 2.02   0.001% *  0.2251% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.84, residual support = 28.2:
          QB    ALA   64 - HN    LYS+  65   2.72 +/- 0.20 100.000% *100.0000% (0.65   4.84  28.16) = 100.000%  kept
    Distance limit 3.41 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 = 7.51:
          HA    ALA   61 - HN    ALA   64   3.45 +/- 0.16  99.158% * 95.1123% (0.95   0.75   7.52) =  99.982%  kept
          HD2   PRO   68 - HN    ALA   64   8.25 +/- 0.59   0.616% *  2.1470% (0.80   0.02   0.02) =   0.014%
          HD3   PRO   58 - HN    ALA   64   9.82 +/- 0.42   0.203% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.04 +/- 0.47   0.023% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.84 +/- 0.04  96.794% * 99.9016% (0.95  10.0   4.22  20.66) =  99.999%  kept
          HB2   PHE   72 - HN    ALA   64   5.22 +/- 0.45   2.943% *  0.0235% (0.22   1.0   0.02  39.53) =   0.001%
          QE    LYS+  66 - HN    ALA   64   7.82 +/- 0.70   0.263% *  0.0235% (0.22   1.0   0.02   7.68) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.92 +/- 0.98   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 4.65, residual support = 26.0:
          QB    LYS+  65 - HN    ALA   64   4.46 +/- 0.20  62.263% * 82.1238% (0.92   4.88  28.16) =  89.636%  kept
          QB    LYS+  66 - HN    ALA   64   4.91 +/- 0.23  35.810% * 16.4939% (0.34   2.65   7.68) =  10.354%  kept
          HB3   GLN   17 - HN    ALA   64   8.77 +/- 0.92   1.390% *  0.3043% (0.84   0.02   2.45) =   0.007%
          HB2   LEU   71 - HN    ALA   64  10.66 +/- 0.38   0.342% *  0.3446% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.21 +/- 1.65   0.076% *  0.2210% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.98 +/- 1.41   0.017% *  0.3043% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  14.15 +/- 0.82   0.065% *  0.0721% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  16.03 +/- 1.03   0.032% *  0.0721% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.28 +/- 1.08   0.005% *  0.0638% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.723, support = 7.21, residual support = 54.4:
          HB2   LEU   63 - HN    ALA   64   2.92 +/- 0.17  96.321% * 81.4182% (0.73   7.23  54.61) =  99.364%  kept
          HG3   LYS+  65 - HN    ALA   64   5.40 +/- 0.64   3.134% * 15.9773% (0.25   4.13  28.16) =   0.634%  kept
          HB3   ASP-  44 - HN    ALA   64   8.37 +/- 0.74   0.215% *  0.2590% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   8.25 +/- 0.75   0.220% *  0.0773% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.53 +/- 1.68   0.024% *  0.3073% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.07 +/- 2.12   0.020% *  0.2933% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.12 +/- 0.50   0.034% *  0.0957% (0.31   0.02   0.19) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.80 +/- 1.70   0.007% *  0.3073% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.32 +/- 1.25   0.006% *  0.1631% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.50 +/- 1.44   0.006% *  0.1275% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.38 +/- 1.10   0.002% *  0.3093% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.29 +/- 2.23   0.003% *  0.1164% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  20.24 +/- 1.90   0.001% *  0.1880% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.87 +/- 1.12   0.001% *  0.1390% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.75 +/- 1.38   0.003% *  0.0543% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.95 +/- 0.83   0.002% *  0.0614% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.49 +/- 1.73   0.001% *  0.1058% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.8, residual support = 54.6:
          HG    LEU   63 - HN    ALA   64   4.71 +/- 0.74  78.411% * 98.5954% (0.53   6.81  54.61) =  99.959%  kept
          QD1   ILE  119 - HN    ALA   64   7.02 +/- 1.49  18.083% *  0.1090% (0.20   0.02   0.02) =   0.025%
          QG2   VAL  108 - HN    ALA   64  12.90 +/- 2.20   3.176% *  0.3339% (0.61   0.02   0.02) =   0.014%
          HG3   LYS+ 112 - HN    ALA   64  15.08 +/- 2.18   0.129% *  0.5082% (0.92   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  14.29 +/- 1.57   0.156% *  0.2468% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  17.34 +/- 1.26   0.044% *  0.2066% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.29 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.77, residual support = 54.6:
          HB3   LEU   63 - HN    ALA   64   3.33 +/- 0.41  91.435% * 99.3361% (0.97   6.77  54.61) =  99.987%  kept
          QG1   VAL   18 - HN    ALA   64   6.12 +/- 0.91   4.234% *  0.1600% (0.53   0.02   8.75) =   0.007%
          QG1   VAL   70 - HN    ALA   64   6.63 +/- 1.28   3.532% *  0.1250% (0.41   0.02   0.02) =   0.005%
          QG1   VAL  108 - HN    ALA   64  14.03 +/- 2.65   0.205% *  0.2435% (0.80   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ALA   64   9.46 +/- 2.12   0.376% *  0.0677% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64   9.93 +/- 1.06   0.218% *  0.0677% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.826, support = 6.15, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   4.50 +/- 0.32  48.258% * 60.3387% (1.00   5.81  54.61) =  59.937%  kept
          QD1   LEU   63 - HN    ALA   64   4.48 +/- 0.39  49.711% * 39.1489% (0.57   6.66  54.61) =  40.060%  kept
          QD2   LEU  115 - HN    ALA   64   8.64 +/- 1.08   1.357% *  0.0518% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.59 +/- 0.36   0.295% *  0.1176% (0.57   0.02   0.19) =   0.001%
          QG2   VAL   41 - HN    ALA   64  11.80 +/- 0.69   0.170% *  0.1260% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.68 +/- 1.36   0.145% *  0.0854% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.95 +/- 1.98   0.030% *  0.0854% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.35 +/- 1.56   0.034% *  0.0462% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.06 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.06 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   3.60 +/- 0.04  99.933% * 99.8321% (0.97  10.0   5.25  42.50) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.53 +/- 0.85   0.062% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  19.69 +/- 0.97   0.004% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  26.37 +/- 0.98   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 11.8:
          HA    PHE   60 - HN    LEU   63   3.68 +/- 0.24  99.507% * 92.4872% (0.69   1.50  11.84) =  99.994%  kept
          QB    SER  117 - HN    LEU   63  11.70 +/- 0.74   0.111% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63  10.53 +/- 1.46   0.258% *  0.6124% (0.34   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.87 +/- 1.16   0.065% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.21 +/- 1.72   0.040% *  1.2332% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU   63  17.51 +/- 0.93   0.009% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  17.39 +/- 1.32   0.011% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.4:
      O   HA    LEU   63 - HN    LEU   63   2.77 +/- 0.03  99.999% * 99.8508% (0.76  10.0   7.54 242.39) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.97 +/- 1.26   0.000% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.96 +/- 0.96   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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   3.29 +/- 0.62  99.948% * 99.7494% (0.98   5.25  42.50) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.61 +/- 1.76   0.025% *  0.1739% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  13.80 +/- 0.78   0.027% *  0.0767% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   2.98 +/- 0.40  99.991% * 98.9530% (0.95   5.25  42.50) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.13 +/- 1.33   0.007% *  0.3680% (0.92   0.02   0.90) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.87 +/- 2.36   0.000% *  0.2895% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  24.70 +/- 1.92   0.000% *  0.2257% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.02 +/- 1.33   0.001% *  0.1639% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.92, residual support = 242.4:
      O   HB2   LEU   63 - HN    LEU   63   2.11 +/- 0.10  99.762% * 98.8228% (0.73  10.0   7.92 242.39) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.45 +/- 0.93   0.187% *  0.0339% (0.25   1.0   0.02   1.21) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.69 +/- 0.90   0.024% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.52 +/- 2.00   0.006% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.90 +/- 1.00   0.011% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.67 +/- 1.54   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.02 +/- 1.43   0.002% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.77 +/- 1.99   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.02 +/- 0.56   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.96 +/- 1.27   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.27 +/- 1.98   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  18.60 +/- 0.96   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  21.17 +/- 1.50   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.79 +/- 1.26   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.03 +/- 1.46   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.23 +/- 1.79   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.39 +/- 0.88   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.53, residual support = 242.4:
          HG    LEU   63 - HN    LEU   63   3.19 +/- 0.38  99.340% * 99.5015% (1.00   7.53 242.39) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.02 +/- 0.87   0.578% *  0.0464% (0.18   0.02   0.40) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.67 +/- 2.20   0.078% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  18.54 +/- 1.51   0.004% *  0.2597% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.57, residual support = 242.4:
      O   HB3   LEU   63 - HN    LEU   63   3.37 +/- 0.13  96.807% * 99.7743% (0.97  10.0   7.57 242.39) =  99.999%  kept
          QG1   VAL   18 - HN    LEU   63   7.62 +/- 0.93   0.988% *  0.0544% (0.53   1.0   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   7.88 +/- 1.15   0.960% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   63   8.37 +/- 1.93   1.033% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  13.10 +/- 2.24   0.151% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.91 +/- 1.07   0.062% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.871, support = 6.94, residual support = 242.4:
          QD1   LEU   63 - HN    LEU   63   3.56 +/- 0.32  58.166% * 47.8551% (0.90   6.50 242.39) =  58.212%  kept
          QD2   LEU   63 - HN    LEU   63   3.82 +/- 0.69  38.666% * 51.6716% (0.84   7.54 242.39) =  41.782%  kept
          QD2   LEU  115 - HN    LEU   63   6.66 +/- 1.11   3.027% *  0.0929% (0.57   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU   63  12.23 +/- 0.46   0.037% *  0.1472% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.89 +/- 1.91   0.045% *  0.0507% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  13.19 +/- 0.80   0.025% *  0.0456% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.35 +/- 1.31   0.007% *  0.0863% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.61 +/- 1.52   0.022% *  0.0253% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.87 +/- 1.70   0.006% *  0.0253% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 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   2.75 +/- 0.54  99.984% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.05 +/- 1.46   0.007% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.28 +/- 0.82   0.009% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.11 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.50 +/- 0.34  99.998% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.98 +/- 1.06   0.002% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.51 +/- 2.40   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  25.44 +/- 1.51   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  24.97 +/- 1.43   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.357, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   5.86 +/- 0.70  92.367% *  5.0993% (0.32   0.02   0.02) =  88.225%  kept
          HG    LEU  123 - HN    ASP-  62  12.33 +/- 1.77   2.002% * 12.8527% (0.82   0.02   0.02) =   4.821%  kept
          HG3   PRO   68 - HN    ASP-  62  12.47 +/- 0.90   1.251% *  8.7895% (0.56   0.02   0.02) =   2.059%  kept
          HG2   ARG+  54 - HN    ASP-  62  13.12 +/- 1.38   1.104% *  7.6923% (0.49   0.02   0.02) =   1.591%  kept
          HB3   PRO   52 - HN    ASP-  62  14.66 +/- 1.53   0.518% * 12.8527% (0.82   0.02   0.02) =   1.247%  kept
          HG2   PRO   93 - HN    ASP-  62  12.84 +/- 1.92   1.359% *  2.3795% (0.15   0.02   0.02) =   0.606%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.10 +/- 1.19   0.392% *  7.1484% (0.45   0.02   0.02) =   0.524%  kept
          QB    LYS+ 106 - HN    ASP-  62  13.99 +/- 0.75   0.586% *  3.3879% (0.21   0.02   0.02) =   0.372%
          HB    VAL   41 - HN    ASP-  62  17.63 +/- 1.04   0.154% *  7.6923% (0.49   0.02   0.02) =   0.222%
          HG12  ILE  103 - HN    ASP-  62  20.45 +/- 1.54   0.062% *  9.8662% (0.63   0.02   0.02) =   0.114%
          QB    LYS+  33 - HN    ASP-  62  19.44 +/- 1.23   0.093% *  5.5858% (0.35   0.02   0.02) =   0.097%
          HB    ILE  103 - HN    ASP-  62  21.34 +/- 1.32   0.047% *  8.2409% (0.52   0.02   0.02) =   0.072%
          QB    LYS+  81 - HN    ASP-  62  22.30 +/- 0.99   0.037% *  3.7777% (0.24   0.02   0.02) =   0.026%
          HB3   GLN   90 - HN    ASP-  62  23.19 +/- 1.53   0.029% *  4.6346% (0.29   0.02   0.02) =   0.025%
    Distance limit 4.32 A violated in 16 structures by 1.47 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 = 8.34:
          QB    ALA   61 - HN    ASP-  62   2.69 +/- 0.17  98.348% * 94.7960% (0.80   2.79   8.34) =  99.992%  kept
          QG    LYS+  66 - HN    ASP-  62   6.19 +/- 1.31   1.438% *  0.4468% (0.52   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ASP-  62  11.87 +/- 2.63   0.120% *  0.7366% (0.86   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ASP-  62   9.82 +/- 0.87   0.051% *  0.5898% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.90 +/- 1.37   0.019% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  13.73 +/- 1.07   0.006% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.43 +/- 1.93   0.009% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.13 +/- 1.11   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.57 +/- 1.81   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.78 +/- 0.87   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.56 +/- 1.71   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.09 +/- 1.81   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.872, support = 1.71, residual support = 4.17:
          QB    LYS+  66 - HN    LEU   63   4.52 +/- 0.36  58.900% * 48.1929% (0.95   1.55   6.19) =  59.396%  kept
          QB    LYS+  65 - HN    LEU   63   4.85 +/- 0.38  39.987% * 48.5191% (0.76   1.93   1.21) =  40.596%  kept
          HG    LEU  123 - HN    LEU   63  11.04 +/- 1.77   0.450% *  0.2465% (0.38   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   63  12.95 +/- 1.91   0.140% *  0.6511% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  12.87 +/- 0.59   0.109% *  0.4770% (0.73   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  11.11 +/- 0.97   0.295% *  0.1462% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.69 +/- 1.03   0.034% *  0.5260% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  15.16 +/- 1.92   0.057% *  0.2465% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.62 +/- 1.55   0.013% *  0.5698% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  18.35 +/- 1.71   0.014% *  0.4249% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.87, residual support = 40.7:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.03  99.808% * 99.3945% (0.69  10.0   4.87  40.67) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.61 +/- 0.55   0.037% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.57 +/- 1.32   0.046% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.61 +/- 0.99   0.025% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  14.48 +/- 1.47   0.032% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.66 +/- 1.08   0.039% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.13 +/- 0.83   0.014% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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   2.84 +/- 0.04  98.418% * 99.8077% (0.95  10.0   2.77  18.02) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.69 +/- 0.26   1.560% *  0.0683% (0.65   1.0   0.02   0.75) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.76 +/- 0.65   0.013% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.35 +/- 0.92   0.010% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.82, residual support = 40.7:
          HB2   PHE   60 - HN    ALA   61   2.66 +/- 0.45  99.896% * 99.4593% (0.84   4.82  40.67) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.37 +/- 1.23   0.104% *  0.0977% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  21.72 +/- 3.04   0.001% *  0.4429% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.87, residual support = 40.7:
          HB3   PHE   60 - HN    ALA   61   3.52 +/- 0.65  99.925% * 99.1717% (0.98   4.87  40.67) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.88 +/- 1.34   0.021% *  0.3601% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.75 +/- 1.08   0.032% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.20 +/- 1.54   0.021% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.82 +/- 1.64   0.001% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.09 +/- 0.08  99.899% * 99.0576% (0.73  10.0   4.03  18.02) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.21 +/- 1.19   0.040% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  11.26 +/- 2.91   0.026% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.03 +/- 1.07   0.019% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.97 +/- 0.91   0.006% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.39 +/- 1.25   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.99 +/- 1.22   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  12.97 +/- 1.07   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.38 +/- 1.43   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.46 +/- 1.75   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.08 +/- 1.99   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 40.4:
          HD3   PRO   58 - HN    PHE   59   2.32 +/- 0.05  99.882% * 99.4993% (0.76   6.10  40.41) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.18 +/- 0.26   0.116% *  0.1135% (0.26   0.02   0.31) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.02 +/- 1.27   0.001% *  0.3212% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.81 +/- 0.65   0.002% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 58.8:
      O   HB2   PHE   59 - HN    PHE   59   2.48 +/- 0.33  99.648% * 99.5977% (0.76  10.0   4.37  58.77) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.18 +/- 0.60   0.275% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.87 +/- 0.63   0.035% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  11.35 +/- 1.47   0.023% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.76 +/- 1.75   0.015% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.44 +/- 1.00   0.004% *  0.0901% (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 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.8:
      O   HB3   PHE   59 - HN    PHE   59   2.32 +/- 0.38  99.963% * 99.9594% (0.67  10.0   4.98  58.77) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.96 +/- 1.88   0.037% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.84 +/- 0.79   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.59, residual support = 40.4:
      O   HB2   PRO   58 - HN    PHE   59   3.30 +/- 0.49  99.462% * 98.5251% (0.19  10.0   6.59  40.41) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   8.98 +/- 1.10   0.507% *  0.3300% (0.64   1.0   0.02   0.47) =   0.002%
          HB3   PHE   97 - HN    PHE   59  14.92 +/- 2.11   0.024% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  19.36 +/- 1.32   0.005% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.29 +/- 1.83   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.59 +/- 1.29   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.4:
          HG2   PRO   58 - HN    PHE   59   2.74 +/- 0.27  99.817% * 98.7283% (0.76   6.30  40.41) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.86 +/- 1.95   0.085% *  0.1314% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  12.50 +/- 1.29   0.015% *  0.3134% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59  10.23 +/- 1.03   0.068% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  13.47 +/- 1.62   0.011% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.99 +/- 0.81   0.002% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  21.70 +/- 2.00   0.001% *  0.3190% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.18 +/- 1.75   0.000% *  0.3197% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 6.25, residual support = 40.2:
      O   HB3   PRO   58 - HN    PHE   59   4.04 +/- 0.20  66.204% * 97.6194% (0.69  10.0   6.30  40.41) =  98.949%  kept
          HB    ILE   56 - HN    PHE   59   4.84 +/- 1.16  33.710% *  2.0356% (0.19   1.0   1.50  20.73) =   1.051%  kept
          HB2   MET   92 - HN    PHE   59  14.52 +/- 1.88   0.047% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  15.12 +/- 1.77   0.031% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.68 +/- 1.39   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.16 +/- 1.94   0.004% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  26.26 +/- 1.50   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.00 +/- 1.65   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 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   3.38 +/- 0.74  99.757% * 97.7319% (0.67   4.26  20.73) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  13.29 +/- 2.05   0.061% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.36 +/- 1.28   0.030% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.07 +/- 2.23   0.063% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.44 +/- 1.20   0.025% *  0.3206% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.43 +/- 0.91   0.049% *  0.0815% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  19.13 +/- 1.55   0.006% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.31 +/- 2.03   0.004% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  19.72 +/- 1.49   0.005% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 0.02, residual support = 1.91:
          HA    ALA   61 - HN    ALA   57   8.49 +/- 0.59  97.945% * 14.7090% (0.34   0.02   1.99) =  96.064%  kept
          HD2   PRO   68 - HN    ALA   57  17.71 +/- 0.97   1.291% * 22.6869% (0.53   0.02   0.02) =   1.953%  kept
          HA    VAL   24 - HN    ALA   57  20.50 +/- 1.98   0.664% * 41.6148% (0.97   0.02   0.02) =   1.844%  kept
          HA    LYS+  38 - HN    ALA   57  27.16 +/- 1.40   0.099% * 20.9893% (0.49   0.02   0.02) =   0.139%
    Distance limit 3.54 A violated in 20 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.359, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   7.01 +/- 0.87  54.450% * 30.3140% (0.34   0.02   0.02) =  53.483%  kept
          HD2   ARG+  54 - HN    ALA   57   8.14 +/- 1.97  33.516% * 36.5352% (0.41   0.02   0.02) =  39.677%  kept
          HD3   PRO   93 - HN    ALA   57   9.65 +/- 1.66  11.772% * 17.5871% (0.20   0.02   0.02) =   6.708%  kept
          HD3   PRO   68 - HN    ALA   57  17.35 +/- 1.16   0.262% * 15.5637% (0.18   0.02   0.02) =   0.132%
    Distance limit 4.51 A violated in 18 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 4.92, residual support = 30.1:
          HB    ILE   56 - HN    ALA   57   3.94 +/- 0.82  82.200% * 25.6658% (0.25   5.34  33.59) =  62.078%  kept
          HB3   PRO   58 - HN    ALA   57   5.52 +/- 0.41  17.627% * 73.1117% (0.90   4.23  24.43) =  37.921%  kept
          HB2   MET   92 - HN    ALA   57  12.65 +/- 1.78   0.131% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.54 +/- 1.86   0.031% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.04 +/- 1.31   0.005% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  22.41 +/- 1.96   0.004% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  31.33 +/- 1.69   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.15 +/- 1.50   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.54 +/- 0.51  99.852% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.23 +/- 1.68   0.088% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.42 +/- 1.20   0.037% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  13.70 +/- 2.45   0.015% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.46 +/- 1.18   0.005% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.08 +/- 1.21   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.05 +/- 1.08   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.06 +/- 1.36   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.20 +/- 1.06   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.6:
          QG2   ILE   56 - HN    ALA   57   3.16 +/- 0.87  99.776% * 97.4851% (0.87   5.34  33.59) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  12.40 +/- 1.64   0.068% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  11.03 +/- 1.73   0.131% *  0.1888% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.70 +/- 1.04   0.007% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.51 +/- 1.11   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.40 +/- 1.21   0.003% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.53 +/- 1.65   0.006% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.74 +/- 1.46   0.003% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.34 +/- 1.54   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.54 +/- 1.76   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.08 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.6:
      O   HB2   ASN   69 - HD21  ASN   69   2.98 +/- 0.56  99.279% * 99.6854% (0.36  10.0   3.63  59.59) =  99.999%  kept
          QE    LYS+  66 - HD21  ASN   69  10.61 +/- 2.45   0.716% *  0.1287% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HD21  ASN   69  17.31 +/- 2.23   0.005% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.18 +/- 1.15   0.001% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.42 +/- 1.00   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 26.2:
          QG1   VAL   70 - HD21  ASN   69   3.52 +/- 0.96  90.793% * 97.4954% (0.32   4.15  26.23) =  99.969%  kept
          QD1   LEU   71 - HD21  ASN   69   7.99 +/- 1.84   8.196% *  0.2833% (0.19   0.02   0.02) =   0.026%
          HB3   LEU   63 - HD21  ASN   69  10.70 +/- 1.26   0.247% *  0.8304% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69  10.99 +/- 3.49   0.678% *  0.2833% (0.19   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD21  ASN   69  12.63 +/- 0.97   0.081% *  0.5704% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  19.11 +/- 2.50   0.005% *  0.5372% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 1 structures by 0.09 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.395, support = 0.0199, residual support = 0.0199:
          HA    LEU  123 - HD21  ASN   69  11.72 +/- 5.40  35.551% * 14.3693% (0.39   0.02   0.02) =  49.654%  kept
          HA    LYS+  99 - HD21  ASN   69  10.81 +/- 2.29  16.747% * 19.7883% (0.53   0.02   0.02) =  32.210%  kept
          HA    LEU   40 - HD21  ASN   69   9.12 +/- 1.82  42.884% *  2.8311% (0.08   0.02   0.02) =  11.800%  kept
          HA    ASN   35 - HD21  ASN   69  14.89 +/- 2.17   2.085% * 17.4728% (0.47   0.02   0.02) =   3.541%  kept
          HA    PHE   59 - HD21  ASN   69  15.60 +/- 1.54   2.179% *  8.6000% (0.23   0.02   0.02) =   1.821%  kept
          HA    ILE   56 - HD21  ASN   69  21.11 +/- 1.47   0.346% * 16.7505% (0.45   0.02   0.02) =   0.564%  kept
          HA    ASP- 113 - HD21  ASN   69  22.49 +/- 2.41   0.209% * 20.1881% (0.54   0.02   0.02) =   0.409%
    Distance limit 4.84 A violated in 17 structures by 2.41 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 19.0:
          QB    PHE   55 - HN    ILE   56   2.88 +/- 0.35  94.259% * 97.6837% (0.97   4.27  19.02) =  99.973%  kept
          HB3   CYS   53 - HN    ILE   56   5.50 +/- 0.40   2.407% *  0.4576% (0.97   0.02   0.02) =   0.012%
          HB2   PHE   59 - HN    ILE   56   6.38 +/- 0.94   1.686% *  0.3624% (0.76   0.02  20.73) =   0.007%
          HD2   ARG+  54 - HN    ILE   56   6.84 +/- 0.69   1.114% *  0.4377% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   93 - HN    ILE   56   7.87 +/- 1.86   0.508% *  0.4732% (1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ILE   56  19.83 +/- 1.23   0.001% *  0.4700% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  15.65 +/- 2.57   0.017% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  17.26 +/- 2.23   0.005% *  0.0199% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  20.16 +/- 2.22   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  21.23 +/- 3.32   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.27 +/- 2.13   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  26.02 +/- 5.26   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.02, residual support = 123.7:
      O   HB    ILE   56 - HN    ILE   56   3.00 +/- 0.56  95.116% * 99.2786% (0.87  10.0   6.02 123.71) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.81 +/- 0.60   3.006% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.86 +/- 0.47   0.439% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.86 +/- 1.90   0.085% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  14.60 +/- 3.59   0.912% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.54 +/- 1.04   0.018% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  13.40 +/- 5.55   0.077% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  13.20 +/- 4.43   0.126% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.63 +/- 2.09   0.006% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.01 +/- 2.18   0.004% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.69 +/- 1.71   0.090% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.09 +/- 0.86   0.058% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.51 +/- 1.25   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.46 +/- 1.22   0.004% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  16.05 +/- 6.14   0.028% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  16.57 +/- 5.16   0.015% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.66 +/- 1.17   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.83 +/- 0.98   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.43 +/- 1.10   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.58 +/- 1.67   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  22.86 +/- 5.99   0.002% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  19.31 +/- 5.60   0.008% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.69 +/- 3.00   0.002% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  25.22 +/- 3.04   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  33.80 +/- 2.12   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.29 +/- 2.33   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  27.32 +/- 5.35   0.000% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  32.30 +/- 6.27   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.14 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.7:
          QG1   ILE   56 - HN    ILE   56   3.80 +/- 0.57  96.013% * 98.0276% (0.87   5.17 123.71) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   9.73 +/- 1.97   0.879% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  11.19 +/- 2.28   0.497% *  0.1490% (0.34   0.02   2.14) =   0.001%
          QD    LYS+ 106 - HN    ILE   56  14.94 +/- 1.19   0.040% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.65 +/- 1.30   1.309% *  0.0065% (0.01   0.02  20.80) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  12.29 +/- 5.10   0.417% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.05 +/- 1.17   0.017% *  0.2649% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.98 +/- 3.25   0.487% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  14.73 +/- 4.24   0.254% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.67 +/- 1.42   0.019% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.35 +/- 1.04   0.003% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.53 +/- 1.38   0.002% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.26 +/- 1.35   0.010% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  17.73 +/- 2.74   0.017% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  19.45 +/- 5.95   0.016% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  19.51 +/- 5.36   0.013% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.11 +/- 3.95   0.005% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  28.51 +/- 5.14   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.12 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.599, support = 0.844, residual support = 1.67:
          HB3   LEU  115 - HN    ILE   56   7.70 +/- 0.93  14.407% * 65.6979% (0.92   0.95   0.34) =  53.213%  kept
          QB    ALA  110 - HN    ILE   56   6.49 +/- 3.33  57.000% * 11.7997% (0.20   0.79   3.85) =  37.812%  kept
          HG    LEU  115 - HN    ILE   56   7.92 +/- 1.04  12.196% * 12.6930% (0.38   0.45   0.34) =   8.703%  kept
          QB    ALA   61 - HN    ILE   56   8.57 +/- 0.73   6.382% *  0.5636% (0.38   0.02   0.02) =   0.202%
          QG    LYS+  66 - HN    ILE   56  13.72 +/- 1.35   0.405% *  1.0905% (0.73   0.02   0.02) =   0.025%
          QB    ALA  120 - HN    ILE   56  13.93 +/- 1.10   0.441% *  0.5636% (0.38   0.02   0.02) =   0.014%
          HG    LEU   73 - HZ2   TRP   87  13.26 +/- 5.20   1.810% *  0.0585% (0.04   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    ILE   56  18.32 +/- 1.16   0.068% *  1.3468% (0.90   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE   56  18.13 +/- 1.70   0.073% *  1.2544% (0.84   0.02   0.02) =   0.005%
          HG    LEU   80 - HZ2   TRP   87   8.91 +/- 1.95   6.053% *  0.0145% (0.01   0.02   0.67) =   0.005%
          HB3   LEU   67 - HN    ILE   56  17.90 +/- 1.23   0.072% *  0.7901% (0.53   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE   56  20.69 +/- 1.27   0.029% *  1.3863% (0.92   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE   56  19.59 +/- 1.90   0.047% *  0.3343% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  19.98 +/- 1.68   0.044% *  0.2317% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   56  27.10 +/- 2.19   0.006% *  1.4493% (0.97   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  18.13 +/- 5.80   0.143% *  0.0602% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  22.09 +/- 1.08   0.020% *  0.2972% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  19.88 +/- 6.27   0.091% *  0.0629% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.50 +/- 2.69   0.293% *  0.0129% (0.01   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  20.97 +/- 3.69   0.060% *  0.0602% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  18.39 +/- 3.18   0.062% *  0.0245% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  19.64 +/- 5.90   0.082% *  0.0129% (0.01   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  18.41 +/- 5.04   0.105% *  0.0101% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  23.52 +/- 5.18   0.019% *  0.0544% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  23.18 +/- 3.77   0.020% *  0.0473% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  22.88 +/- 5.09   0.023% *  0.0343% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  22.40 +/- 4.08   0.030% *  0.0245% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  23.03 +/- 3.59   0.020% *  0.0245% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 8 structures by 0.94 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.67, residual support = 123.7:
          QG2   ILE   56 - HN    ILE   56   2.52 +/- 0.53  99.804% * 98.4586% (1.00   6.67 123.71) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  11.13 +/- 1.65   0.026% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.31 +/- 1.73   0.014% *  0.0584% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  13.43 +/- 5.02   0.040% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.42 +/- 2.54   0.057% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  11.27 +/- 1.34   0.025% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.24 +/- 1.85   0.001% *  0.1910% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.68 +/- 0.81   0.001% *  0.2793% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.20 +/- 0.93   0.001% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.89 +/- 1.52   0.001% *  0.1108% (0.38   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  17.31 +/- 4.91   0.007% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.13 +/- 2.74   0.003% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  14.18 +/- 3.34   0.012% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.72 +/- 1.36   0.000% *  0.0517% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  31.20 +/- 1.24   0.000% *  0.2793% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  18.86 +/- 4.85   0.003% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.68 +/- 1.47   0.000% *  0.0657% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  23.29 +/- 6.63   0.001% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  17.73 +/- 5.88   0.004% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  21.17 +/- 6.08   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.908, support = 5.36, residual support = 56.8:
          HB3   CYS   53 - HN    ARG+  54   3.84 +/- 0.27  49.072% * 35.6308% (0.94   5.36  31.88) =  58.991%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.71 +/- 0.36  15.315% * 45.5719% (0.95   6.80 159.00) =  23.548%  kept
          QB    PHE   55 - HN    ARG+  54   4.21 +/- 0.13  28.167% * 18.3626% (0.76   3.42   3.12) =  17.451%  kept
          HD3   PRO   93 - HN    ARG+  54   7.22 +/- 1.25   1.865% *  0.1203% (0.85   0.02   0.02) =   0.008%
          HB2   PHE   59 - HN    ASP-  62   5.67 +/- 0.35   5.083% *  0.0132% (0.09   0.02   6.52) =   0.002%
          HB2   PHE   59 - HN    ARG+  54  10.24 +/- 0.98   0.171% *  0.0705% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.78 +/- 1.02   0.128% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.90 +/- 0.65   0.102% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.56 +/- 1.09   0.047% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  14.17 +/- 1.80   0.028% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.68 +/- 1.79   0.022% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  23.09 +/- 1.23   0.001% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.38, residual support = 159.0:
      O   HB2   ARG+  54 - HN    ARG+  54   3.17 +/- 0.51  99.223% * 96.9633% (0.26  10.0   6.38 159.00) =  99.999%  kept
          HB2   LYS+ 111 - HN    ARG+  54  12.66 +/- 1.83   0.052% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASP-  62   9.06 +/- 0.99   0.261% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.55 +/- 0.94   0.125% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.23 +/- 2.15   0.036% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.90 +/- 0.89   0.054% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  12.80 +/- 1.41   0.037% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.48 +/- 1.24   0.011% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.69 +/- 0.91   0.021% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.35 +/- 1.82   0.013% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  19.92 +/- 1.44   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.00 +/- 1.21   0.034% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.43 +/- 1.24   0.026% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.34 +/- 1.16   0.049% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  15.72 +/- 2.05   0.016% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  12.96 +/- 0.83   0.028% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.18 +/- 1.19   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  23.39 +/- 1.09   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  24.30 +/- 1.22   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.95 +/- 1.09   0.003% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.50 +/- 0.98   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  18.37 +/- 1.06   0.004% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.98 +/- 1.18   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  25.51 +/- 2.20   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.31 +/- 1.77   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.72 +/- 1.40   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  24.34 +/- 1.60   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  24.65 +/- 1.26   0.001% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.11 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.93, support = 6.34, residual support = 157.2:
          HG2   ARG+  54 - HN    ARG+  54   3.27 +/- 0.35  91.050% * 83.5172% (0.94   6.38 159.00) =  98.888%  kept
          HB3   PRO   52 - HN    ARG+  54   5.23 +/- 0.25   6.131% * 13.8917% (0.29   3.41   1.75) =   1.108%  kept
          HB    ILE   56 - HN    ARG+  54   6.70 +/- 0.89   2.167% *  0.1286% (0.46   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   8.90 +/- 1.26   0.406% *  0.0241% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  14.33 +/- 2.23   0.026% *  0.2551% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  16.90 +/- 2.53   0.020% *  0.2440% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.34 +/- 1.35   0.013% *  0.2370% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.47 +/- 0.90   0.035% *  0.0477% (0.17   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  13.12 +/- 1.38   0.033% *  0.0490% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  12.33 +/- 1.77   0.053% *  0.0153% (0.05   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  13.99 +/- 0.75   0.018% *  0.0443% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  15.10 +/- 1.19   0.013% *  0.0493% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.39 +/- 1.28   0.002% *  0.2637% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.66 +/- 1.53   0.017% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.52 +/- 1.96   0.001% *  0.2591% (0.93   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.87 +/- 1.14   0.001% *  0.2551% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.44 +/- 1.23   0.003% *  0.0490% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.26 +/- 1.85   0.002% *  0.0816% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.60 +/- 0.96   0.000% *  0.2620% (0.94   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  21.34 +/- 1.32   0.002% *  0.0485% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.30 +/- 0.99   0.001% *  0.0456% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.44 +/- 1.04   0.001% *  0.0523% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  23.19 +/- 1.53   0.001% *  0.0477% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.48 +/- 1.02   0.004% *  0.0098% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.74 +/- 0.96   0.001% *  0.0169% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  32.15 +/- 0.92   0.000% *  0.0902% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.78, residual support = 8.31:
          QB    ALA   61 - HN    ASP-  62   2.69 +/- 0.17  97.167% * 61.1091% (0.16   2.79   8.34) =  99.641%  kept
          QB    ALA  110 - HN    ARG+  54   7.89 +/- 3.19   1.167% * 17.8026% (0.95   0.14   0.02) =   0.349%
          QG    LYS+  66 - HN    ASP-  62   6.19 +/- 1.31   1.407% *  0.2880% (0.11   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    ARG+  54  10.52 +/- 0.90   0.034% *  2.3425% (0.87   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ASP-  62  11.87 +/- 2.63   0.119% *  0.4748% (0.18   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ASP-  62   9.82 +/- 0.87   0.050% *  0.3802% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.78 +/- 1.53   0.004% *  1.2352% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.90 +/- 1.37   0.019% *  0.2311% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.45 +/- 2.12   0.001% *  2.5320% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.89 +/- 1.27   0.002% *  1.5392% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  13.73 +/- 1.07   0.006% *  0.4706% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  17.65 +/- 1.73   0.002% *  1.7431% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.43 +/- 1.93   0.009% *  0.2498% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.43 +/- 1.57   0.000% *  2.5152% (0.94   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.13 +/- 1.11   0.005% *  0.1952% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.08 +/- 1.23   0.000% *  2.0320% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.63 +/- 1.04   0.001% *  1.0433% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.17 +/- 1.38   0.000% *  1.3351% (0.50   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.57 +/- 1.81   0.001% *  0.4738% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.29 +/- 1.22   0.000% *  0.6328% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.78 +/- 0.87   0.002% *  0.1184% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.56 +/- 1.71   0.001% *  0.3262% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.31 +/- 2.48   0.000% *  0.7832% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.09 +/- 1.81   0.000% *  0.1466% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.436, support = 3.25, residual support = 11.7:
      O   HA2   GLY   51 - HN    GLY   51   2.76 +/- 0.17  25.383% * 83.6612% (0.49  10.0   2.21   9.96) =  65.153%  kept
          HD2   PRO   52 - HN    GLY   51   2.24 +/- 0.28  74.531% * 15.2390% (0.34   1.0   5.20  14.85) =  34.847%  kept
          QB    SER   48 - HN    GLY   51   7.33 +/- 0.81   0.079% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.12 +/- 2.07   0.006% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.06 +/- 1.85   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  16.60 +/- 1.87   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.14 +/- 2.05   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.92 +/- 0.94   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.81 +/- 1.69   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  26.59 +/- 1.37   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.52 +/- 1.78   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.05 +/- 1.57   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 1.49, residual support = 7.39:
      O   QB    CYS   50 - HN    CYS   50   2.80 +/- 0.42  99.262% * 99.6055% (0.69  10.0   1.49   7.39) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50   9.48 +/- 2.63   0.674% *  0.1628% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.56 +/- 1.50   0.063% *  0.1415% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.67 +/- 1.44   0.000% *  0.0301% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.10 +/- 1.21   0.000% *  0.0602% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.02, residual support = 6.89:
          QB    ALA   47 - HN    CYS   50   2.96 +/- 0.91  99.925% * 97.6942% (0.57   2.02   6.89) = 100.000%  kept
          HG2   LYS+ 112 - HN    CYS   50  14.57 +/- 2.76   0.048% *  0.2992% (0.18   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    CYS   50  15.74 +/- 1.18   0.011% *  1.2406% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  15.29 +/- 1.14   0.016% *  0.7660% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.329, support = 3.57, residual support = 14.9:
      O   HA    SER   48 - HN    TRP   49   3.53 +/- 0.06  29.422% * 70.3578% (0.22  10.0   3.25  14.91) =  52.750%  kept
          QB    SER   48 - HN    TRP   49   3.06 +/- 0.30  66.769% * 27.7598% (0.45   1.0   3.92  14.91) =  47.232%  kept
          HD2   PRO   52 - HN    TRP   49   6.17 +/- 1.23   3.264% *  0.2044% (0.65   1.0   0.02   2.31) =   0.017%
          HA2   GLY   51 - HN    TRP   49   7.07 +/- 0.54   0.488% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.55 +/- 1.48   0.035% *  0.1078% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  13.82 +/- 1.46   0.010% *  0.3050% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  13.88 +/- 1.48   0.010% *  0.1299% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.33 +/- 0.87   0.000% *  0.3132% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.19 +/- 1.17   0.000% *  0.3050% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.08 +/- 1.25   0.000% *  0.2171% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.27 +/- 1.29   0.000% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.39 +/- 1.61   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 86.2:
      O   HB3   TRP   49 - HN    TRP   49   2.85 +/- 0.35  99.996% * 99.8958% (0.80  10.0   4.00  86.17) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.33 +/- 1.03   0.004% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.417, support = 2.59, residual support = 9.58:
      O   QB    SER   48 - HN    SER   48   2.29 +/- 0.21  75.279% * 66.2308% (0.45  10.0   2.58   9.58) =  86.058%  kept
      O   HA    SER   48 - HN    SER   48   2.79 +/- 0.04  24.558% * 32.8893% (0.22  10.0   2.61   9.58) =  13.941%  kept
          HD2   PRO   52 - HN    SER   48   7.62 +/- 1.39   0.122% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.84 +/- 0.72   0.028% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.68 +/- 1.26   0.008% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.92 +/- 0.81   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.18 +/- 1.40   0.003% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.32 +/- 1.35   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.88 +/- 1.45   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  25.72 +/- 1.10   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.32 +/- 1.07   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  26.87 +/- 1.35   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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   2.85 +/- 0.21  99.978% * 99.1203% (0.90   4.08   6.27) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.63 +/- 0.98   0.007% *  0.4337% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.31 +/- 2.85   0.010% *  0.2428% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.49 +/- 1.09   0.005% *  0.2033% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.826, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.67 +/- 0.97  85.684% * 52.2208% (0.84   0.02   0.02) =  86.740%  kept
          HB2   TRP   87 - HN    ALA   47  14.23 +/- 2.28  14.316% * 47.7792% (0.76   0.02   0.02) =  13.260%  kept
    Distance limit 4.20 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.38, residual support = 6.65:
          QB    CYS   50 - HN    ALA   47   3.53 +/- 0.98  88.326% * 63.9487% (0.97   1.40   6.89) =  96.405%  kept
          QE    LYS+  74 - HN    ALA   47   7.24 +/- 1.59   5.983% * 34.7684% (0.98   0.75   0.02) =   3.550%  kept
          HB3   ASP-  78 - HN    ALA   47   8.77 +/- 2.00   5.653% *  0.4604% (0.49   0.02   0.75) =   0.044%
          HB2   PHE   72 - HN    ALA   47  14.77 +/- 1.37   0.037% *  0.2106% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.43 +/- 0.78   0.001% *  0.6119% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.13 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   3.56 +/- 0.40  99.743% * 97.5708% (0.97   3.21  12.65) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  11.25 +/- 1.24   0.148% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.05 +/- 0.85   0.078% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.64 +/- 0.87   0.017% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.30 +/- 1.51   0.005% *  0.5268% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.39 +/- 0.68   0.009% *  0.3070% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.42 +/- 0.13  99.969% * 99.7622% (0.57  10.0   2.36  11.04) = 100.000%  kept
          QG1   VAL   42 - HN    ALA   47  11.92 +/- 0.86   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    ALA   47  12.89 +/- 0.97   0.005% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  13.79 +/- 2.87   0.018% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.39 +/- 0.44  99.934% * 99.3656% (0.25  10.0   3.25  34.51) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  15.27 +/- 2.02   0.027% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  14.20 +/- 1.83   0.034% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.23 +/- 1.77   0.005% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.6, residual support = 9.71:
          QG2   THR   77 - HN    THR   46   2.85 +/- 0.52  98.033% * 95.6482% (0.61   3.60   9.72) =  99.995%  kept
          HB3   ASP-  44 - HN    THR   46   6.14 +/- 0.50   1.742% *  0.1952% (0.22   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    THR   46   9.37 +/- 1.42   0.152% *  0.3605% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.79 +/- 1.42   0.040% *  0.8294% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.65 +/- 1.25   0.023% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.37 +/- 2.57   0.006% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.77 +/- 0.71   0.003% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.92 +/- 0.96   0.001% *  0.7863% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.11 +/- 0.57   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.942, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.03 +/- 1.61  72.015% * 32.0586% (0.99   0.02   0.02) =  79.674%  kept
          QD1   ILE  119 - HN    THR   46  13.33 +/- 1.21  15.900% * 25.8997% (0.80   0.02   0.02) =  14.211%  kept
          HG3   LYS+ 112 - HN    THR   46  16.12 +/- 3.07   9.524% *  9.9831% (0.31   0.02   0.02) =   3.281%  kept
          HB2   LEU  104 - HN    THR   46  18.16 +/- 1.02   2.561% * 32.0586% (0.99   0.02   0.02) =   2.834%  kept
    Distance limit 4.64 A violated in 20 structures by 4.78 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   2.66 +/- 0.33  99.650% * 97.4004% (0.97   3.39  34.51) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.80 +/- 0.73   0.140% *  0.5639% (0.95   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    THR   46   9.67 +/- 1.20   0.072% *  0.5948% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.63 +/- 1.42   0.115% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.75 +/- 0.73   0.011% *  0.4095% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.12 +/- 0.46   0.006% *  0.4773% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  16.99 +/- 1.32   0.002% *  0.3136% (0.53   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.78 +/- 0.78   0.005% *  0.1486% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 1.96:
          QG1   VAL   75 - HN    THR   46   3.68 +/- 0.82  99.789% * 99.0129% (0.92   1.66   1.96) =  99.998%  kept
          QD1   LEU  115 - HN    THR   46  11.26 +/- 1.14   0.211% *  0.9871% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 1 structures by 0.08 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.43, residual support = 27.7:
          HB    THR   94 - HN    PHE   45   4.07 +/- 0.76  98.669% * 94.4034% (0.65   3.43  27.71) =  99.994%  kept
          QB    SER   48 - HN    PHE   45  11.42 +/- 0.42   0.376% *  0.6500% (0.76   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    PHE   45  11.43 +/- 1.31   0.431% *  0.2901% (0.34   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  14.44 +/- 1.86   0.079% *  0.8209% (0.97   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   45  14.21 +/- 0.80   0.104% *  0.4140% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  16.20 +/- 0.75   0.040% *  0.7852% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.00 +/- 1.58   0.031% *  0.8046% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.17 +/- 1.23   0.116% *  0.2121% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.57 +/- 0.93   0.019% *  0.8209% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  18.05 +/- 1.54   0.029% *  0.4816% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  14.19 +/- 2.05   0.090% *  0.1490% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.08 +/- 0.74   0.015% *  0.1683% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 1 structures by 0.15 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 80.1:
      O   HB2   PHE   45 - HN    PHE   45   2.54 +/- 0.35  99.953% * 99.8561% (0.99  10.0   3.67  80.10) = 100.000%  kept
          QE    LYS+ 111 - HN    PHE   45  13.92 +/- 1.84   0.018% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    PHE   45  11.07 +/- 0.94   0.029% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.1:
      O   HB3   PHE   45 - HN    PHE   45   3.48 +/- 0.37  99.064% * 99.6079% (0.87  10.0   4.00  80.10) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   8.52 +/- 0.97   0.773% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  12.63 +/- 1.96   0.082% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.91 +/- 2.43   0.034% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.40 +/- 1.16   0.043% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.11 +/- 0.60   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.473, support = 3.99, residual support = 18.4:
          HB3   ASP-  44 - HN    PHE   45   3.56 +/- 0.52  76.917% * 63.6067% (0.49   4.10  19.26) =  93.603%  kept
          QG2   THR   77 - HN    PHE   45   5.45 +/- 0.62   9.860% * 25.4183% (0.31   2.59   8.54) =   4.795%  kept
          HB3   PRO   93 - HN    PHE   45   5.27 +/- 0.97  12.251% *  6.8089% (0.15   1.39   0.11) =   1.596%  kept
          HB2   LEU   63 - HN    PHE   45  10.08 +/- 1.25   0.214% *  0.3865% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    PHE   45  14.21 +/- 2.33   0.122% *  0.5882% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    PHE   45  11.55 +/- 1.96   0.129% *  0.4627% (0.73   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   9.65 +/- 1.45   0.293% *  0.1116% (0.18   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  12.43 +/- 1.73   0.061% *  0.4377% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.54 +/- 2.09   0.127% *  0.1589% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.25 +/- 0.77   0.015% *  0.5527% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.14 +/- 0.88   0.005% *  0.6357% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.19 +/- 0.66   0.002% *  0.6149% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.78 +/- 1.89   0.003% *  0.2173% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.864, support = 0.02, residual support = 4.2:
          QD1   ILE   89 - HN    PHE   45   7.60 +/- 2.63  58.482% * 30.6068% (0.80   0.02   6.43) =  54.691%  kept
          QG2   VAL   83 - HN    PHE   45   8.68 +/- 2.45  28.409% * 37.4664% (0.98   0.02   2.11) =  32.522%  kept
          QD2   LEU   31 - HN    PHE   45  10.23 +/- 0.61  13.108% * 31.9268% (0.84   0.02   0.02) =  12.787%  kept
    Distance limit 4.34 A violated in 18 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.17 +/- 0.43  99.879% * 98.4423% (1.00   4.10  12.48) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  12.39 +/- 0.94   0.040% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  13.80 +/- 2.03   0.030% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.36 +/- 1.47   0.035% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.10 +/- 0.72   0.003% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.25 +/- 1.06   0.011% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.44 +/- 0.93   0.003% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.19:
          HN    CYS   50 - HN    CYS   53   4.88 +/- 0.40  99.957% * 77.1198% (0.87  1.00   0.75   8.19) =  99.987%  kept
        T HN    VAL   83 - HN    CYS   53  18.33 +/- 1.40   0.043% * 22.8802% (0.97 10.00   0.02   0.02) =   0.013%
    Distance limit 4.76 A violated in 1 structures by 0.23 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 54.6:
      O   HA    PRO   52 - HN    CYS   53   3.49 +/- 0.02  99.324% * 99.8358% (0.61  10.0   7.18  54.59) =  99.999%  kept
          HA    LYS+ 111 - HN    CYS   53  10.10 +/- 2.19   0.676% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 44.3:
      O   HA    CYS   53 - HN    CYS   53   2.75 +/- 0.04  99.993% * 99.7036% (0.90  10.0   4.78  44.27) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.02 +/- 1.83   0.005% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.72 +/- 1.05   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.31 +/- 0.84   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.35 +/- 1.18   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.29 +/- 2.64   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.18 +/- 1.09   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.16, residual support = 54.1:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.01  98.463% * 60.8405% (0.34   8.20  54.59) =  99.113%  kept
          HA2   GLY   51 - HN    CYS   53   4.58 +/- 0.18   1.473% * 36.3751% (0.49   3.43   0.02) =   0.886%  kept
          QB    SER   48 - HN    CYS   53   8.59 +/- 0.69   0.038% *  0.3325% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.72 +/- 1.66   0.023% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.44 +/- 1.50   0.001% *  0.4199% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.27 +/- 1.57   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.98 +/- 1.05   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.40 +/- 1.39   0.000% *  0.4116% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.79 +/- 1.61   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.84 +/- 1.30   0.000% *  0.4199% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.06 +/- 1.30   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.99 +/- 1.09   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 4.95, residual support = 44.6:
      O   HB2   CYS   53 - HN    CYS   53   2.67 +/- 0.34  85.163% * 84.8441% (0.98  10.0   4.92  44.27) =  97.044%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  14.722% * 14.9494% (0.57   1.0   6.10  54.59) =   2.956%  kept
          HD2   PRO   58 - HN    CYS   53   8.84 +/- 0.87   0.114% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  19.03 +/- 1.26   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.20 +/- 0.88   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.82 +/- 1.57   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.85, residual support = 44.3:
      O   HB3   CYS   53 - HN    CYS   53   2.60 +/- 0.54  89.161% * 99.5214% (0.97  10.0   5.85  44.27) =  99.988%  kept
          HD3   PRO   93 - HN    CYS   53   5.17 +/- 1.24   6.657% *  0.1029% (1.00   1.0   0.02   0.02) =   0.008%
          QB    PHE   55 - HN    CYS   53   4.92 +/- 0.26   3.767% *  0.0995% (0.97   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    CYS   53   7.15 +/- 0.52   0.383% *  0.0952% (0.92   1.0   0.02  31.88) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.55 +/- 1.02   0.032% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.35 +/- 1.44   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.19:
          QB    CYS   50 - HN    CYS   53   3.22 +/- 1.10  98.958% * 98.0457% (0.69   2.96   8.19) =  99.992%  kept
          QE    LYS+  74 - HN    CYS   53  10.13 +/- 1.17   0.863% *  0.7010% (0.73   0.02   0.02) =   0.006%
          HB3   ASP-  78 - HN    CYS   53  13.05 +/- 2.32   0.173% *  0.8064% (0.84   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   53  20.26 +/- 1.52   0.005% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.79 +/- 1.47   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 54.6:
          HG2   PRO   52 - HN    CYS   53   3.47 +/- 0.64  94.738% * 94.9827% (0.25   7.21  54.59) =  99.954%  kept
          HG2   MET   92 - HN    CYS   53   7.34 +/- 2.01   4.872% *  0.8079% (0.76   0.02   0.02) =   0.044%
          QG    GLU- 114 - HN    CYS   53  11.49 +/- 1.86   0.158% *  0.7262% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  12.06 +/- 0.94   0.109% *  0.2636% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  12.20 +/- 1.64   0.089% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.80 +/- 1.52   0.016% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  16.95 +/- 1.26   0.014% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  23.18 +/- 1.32   0.002% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.60 +/- 1.86   0.002% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  31.70 +/- 2.27   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.46 +/- 0.87   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.973, support = 7.18, residual support = 54.4:
          HG3   PRO   52 - HN    CYS   53   3.48 +/- 0.61  87.341% * 90.6418% (0.98   7.21  54.59) =  99.124%  kept
          HB2   ARG+  54 - HN    CYS   53   5.73 +/- 0.58   8.290% *  8.3824% (0.18   3.73  31.88) =   0.870%  kept
          HB2   PRO   93 - HN    CYS   53   6.48 +/- 1.32   4.142% *  0.1055% (0.41   0.02   0.02) =   0.005%
          HG2   PRO   58 - HN    CYS   53  10.74 +/- 0.71   0.149% *  0.2516% (0.98   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   53  12.63 +/- 2.20   0.077% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.14 +/- 2.50   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.46 +/- 1.37   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  35.69 +/- 3.04   0.000% *  0.2566% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.653, support = 7.39, residual support = 54.0:
      O   HB3   PRO   52 - HN    CYS   53   3.59 +/- 0.45  88.091% * 77.7235% (0.65  10.0   7.48  54.59) =  97.507%  kept
          HG2   ARG+  54 - HN    CYS   53   5.53 +/- 0.42   8.153% * 21.4559% (0.90   1.0   3.98  31.88) =   2.491%  kept
          HB    ILE   56 - HN    CYS   53   6.86 +/- 1.32   3.580% *  0.0238% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    CYS   53  12.32 +/- 2.08   0.079% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.05 +/- 1.50   0.056% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.69 +/- 1.99   0.023% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.43 +/- 1.52   0.005% *  0.1042% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.06 +/- 2.18   0.003% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.54 +/- 1.86   0.003% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.36 +/- 2.20   0.003% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.18 +/- 1.50   0.001% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.02 +/- 0.94   0.001% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.02 +/- 1.23   0.002% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.86, residual support = 45.7:
        T HN    GLN   32 - HN    LEU   31   2.75 +/- 0.10  95.804% * 99.2679% (0.78 10.00   5.86  45.74) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.66 +/- 0.19   4.163% *  0.0183% (0.14  1.00   0.02   4.77) =   0.001%
          HN    THR   94 - HN    PHE   55  11.08 +/- 1.34   0.029% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  18.12 +/- 3.32   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  16.82 +/- 0.91   0.002% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.59 +/- 1.01   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.28 +/- 1.88   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  28.04 +/- 0.92   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.529, support = 6.92, residual support = 50.7:
        T HN    GLN   30 - HN    LEU   31   2.51 +/- 0.09  97.066% * 81.7584% (0.53 10.00   6.95  51.05) =  99.355%  kept
          HN    GLU-  29 - HN    LEU   31   4.50 +/- 0.18   2.930% * 17.5750% (0.91  1.00   2.48   0.02) =   0.645%  kept
          HN    ASP-  86 - HN    LEU   31  17.06 +/- 3.79   0.002% *  0.0934% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.67 +/- 0.63   0.002% *  0.0402% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.94 +/- 1.21   0.000% *  0.3988% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.91 +/- 1.16   0.001% *  0.0196% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.12 +/- 1.59   0.000% *  0.0456% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.17 +/- 1.44   0.000% *  0.0691% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.21, residual support = 20.3:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.06  94.728% * 99.0930% (0.48  10.0   3.21  20.31) =  99.998%  kept
          HA    TRP   27 - HN    LEU   31   4.72 +/- 0.29   4.672% *  0.0276% (0.13   1.0   0.02  15.85) =   0.001%
          HA    ALA  110 - HN    PHE   55   8.79 +/- 3.42   0.566% *  0.1465% (0.71   1.0   0.02   0.13) =   0.001%
          HA    ALA   91 - HN    PHE   55  12.79 +/- 1.88   0.016% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.52 +/- 1.45   0.011% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.38 +/- 2.15   0.005% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  21.59 +/- 1.62   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.69 +/- 1.08   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.77 +/- 2.41   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.72 +/- 1.47   0.001% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.56 +/- 1.25   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.33 +/- 1.44   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.89, residual support = 20.3:
      O   QB    PHE   55 - HN    PHE   55   2.05 +/- 0.08  99.290% * 99.1124% (0.79  10.0   2.89  20.31) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.40 +/- 0.26   0.321% *  0.0867% (0.69   1.0   0.02   3.12) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.46 +/- 0.15   0.291% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.86 +/- 1.71   0.076% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.76 +/- 0.88   0.021% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.65 +/- 0.98   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  22.15 +/- 1.23   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  21.86 +/- 1.23   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.89 +/- 1.89   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.14 +/- 0.80   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.89 +/- 1.00   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.83 +/- 2.69   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.352, support = 3.31, residual support = 9.49:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.03  34.841% * 70.3841% (0.25  10.0   2.96   3.12) =  58.349%  kept
          HA    ASN   28 - HN    LEU   31   3.20 +/- 0.12  63.624% * 27.5102% (0.50   1.0   3.81  18.42) =  41.646%  kept
          HA    THR   26 - HN    LEU   31   6.57 +/- 0.24   0.875% *  0.1117% (0.39   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LEU   31   7.11 +/- 0.24   0.530% *  0.1667% (0.58   1.0   0.02   4.77) =   0.002%
          HA1   GLY  101 - HN    LEU   31  12.29 +/- 3.72   0.078% *  0.1724% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.41 +/- 1.05   0.038% *  0.1978% (0.69   1.0   0.02   5.62) =   0.000%
          HA    GLU- 114 - HN    PHE   55  13.89 +/- 1.13   0.011% *  0.2157% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.61 +/- 1.25   0.001% *  0.1498% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.74 +/- 1.38   0.000% *  0.1905% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.92 +/- 0.83   0.000% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.43 +/- 2.41   0.000% *  0.2275% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.33 +/- 1.57   0.000% *  0.1475% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  28.13 +/- 0.91   0.000% *  0.2201% (0.77   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.95 +/- 2.03   0.000% *  0.0533% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.86 +/- 1.49   0.000% *  0.0508% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  26.50 +/- 5.03   0.000% *  0.0385% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 7.04, residual support = 231.5:
      O   HA    LEU   31 - HN    LEU   31   2.77 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.04 231.46) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.15 +/- 0.93   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.477, support = 5.71, residual support = 43.2:
          HB2   GLN   30 - HN    LEU   31   3.19 +/- 0.28  62.739% * 33.8778% (0.48   6.07  51.05) =  74.856%  kept
          HB2   ARG+  54 - HN    PHE   55   3.59 +/- 0.18  31.599% * 14.6292% (0.39   3.27   3.12) =  16.281%  kept
          HG3   GLN   30 - HN    LEU   31   4.86 +/- 0.12   5.092% * 49.4227% (0.60   7.16  51.05) =   8.862%  kept
          HB2   PRO   93 - HN    PHE   55   8.50 +/- 1.86   0.379% *  0.0410% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.02 +/- 1.63   0.051% *  0.1042% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31   9.98 +/- 0.48   0.070% *  0.0430% (0.19   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.65 +/- 1.32   0.012% *  0.1473% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  13.74 +/- 2.15   0.017% *  0.1042% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  14.14 +/- 2.06   0.012% *  0.1209% (0.52   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.84 +/- 1.52   0.017% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.47 +/- 0.75   0.004% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.21 +/- 1.48   0.002% *  0.1209% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.06 +/- 1.84   0.001% *  0.0789% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  20.09 +/- 1.36   0.001% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.46 +/- 1.00   0.000% *  0.1596% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.98 +/- 2.50   0.000% *  0.1116% (0.48   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  25.12 +/- 1.25   0.000% *  0.1824% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.25 +/- 1.00   0.000% *  0.1473% (0.64   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.18 +/- 1.71   0.002% *  0.0310% (0.13   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  23.31 +/- 1.15   0.000% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.97 +/- 2.00   0.000% *  0.0789% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.18 +/- 2.04   0.000% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.07 +/- 2.18   0.000% *  0.0568% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  31.03 +/- 1.70   0.000% *  0.1596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.04, residual support = 231.5:
      O   HB2   LEU   31 - HN    LEU   31   2.59 +/- 0.15  99.688% * 98.5368% (0.78  10.0   7.04 231.46) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   8.07 +/- 1.82   0.213% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.89 +/- 1.82   0.024% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  13.38 +/- 3.13   0.010% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.51 +/- 1.75   0.019% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.27 +/- 1.32   0.011% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.08 +/- 1.02   0.005% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.45 +/- 0.66   0.008% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  15.06 +/- 2.09   0.004% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.36 +/- 0.92   0.006% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.15 +/- 1.29   0.004% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.15 +/- 1.56   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.81 +/- 1.30   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.30 +/- 1.67   0.001% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.88 +/- 4.45   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.24 +/- 1.68   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.63 +/- 1.36   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.12 +/- 1.22   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.40 +/- 2.30   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.90 +/- 1.41   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.29 +/- 2.35   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.05 +/- 1.05   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.67 +/- 1.28   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.71 +/- 1.15   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 7.04, residual support = 231.5:
      O   HB3   LEU   31 - HN    LEU   31   3.52 +/- 0.02  94.992% * 99.4260% (0.83  10.0   7.04 231.46) =  99.999%  kept
          HD3   LYS+ 112 - HN    PHE   55   8.61 +/- 2.22   3.923% *  0.0167% (0.14   1.0   0.02   3.16) =   0.001%
          QG1   VAL   24 - HN    LEU   31   8.59 +/- 0.63   0.520% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.90 +/- 0.35   0.111% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.32 +/- 1.15   0.386% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.48 +/- 1.32   0.038% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.05 +/- 1.65   0.013% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.26 +/- 2.69   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.72 +/- 0.69   0.006% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.43 +/- 2.50   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.06 +/- 1.27   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.19 +/- 1.83   0.004% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.69 +/- 1.03   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  28.31 +/- 2.24   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.637, support = 7.43, residual support = 225.6:
          HG    LEU   31 - HN    LEU   31   2.68 +/- 0.69  87.522% * 63.7180% (0.64   7.56 231.46) =  97.298%  kept
          QD1   ILE   56 - HN    PHE   55   5.07 +/- 0.90   4.989% * 19.6720% (0.45   3.32  19.02) =   1.712%  kept
          QD2   LEU   73 - HN    LEU   31   6.19 +/- 0.91   3.563% * 15.8699% (0.78   1.55   3.36) =   0.986%  kept
          QG1   VAL   41 - HN    LEU   31   5.54 +/- 0.69   3.920% *  0.0430% (0.16   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    LEU   31  19.11 +/- 1.23   0.001% *  0.2432% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.55 +/- 1.43   0.003% *  0.1000% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.59 +/- 2.24   0.000% *  0.1685% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.29 +/- 1.13   0.001% *  0.0822% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.94 +/- 1.15   0.000% *  0.0822% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.97 +/- 0.91   0.001% *  0.0210% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.8, residual support = 231.5:
          QD2   LEU   31 - HN    LEU   31   2.06 +/- 0.41  99.879% * 97.7175% (0.18   6.80 231.46) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   7.32 +/- 0.87   0.119% *  1.4399% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  14.89 +/- 1.01   0.001% *  0.7024% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.95 +/- 0.82   0.000% *  0.1402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 2.14, residual support = 3.36:
          QD1   LEU   73 - HN    LEU   31   4.27 +/- 0.63  92.111% * 91.3529% (0.60   2.14   3.36) =  99.918%  kept
          QD2   LEU   80 - HN    LEU   31   9.37 +/- 2.63   2.465% *  1.2724% (0.90   0.02   0.02) =   0.037%
          QG1   VAL   83 - HN    LEU   31  10.21 +/- 3.41   1.917% *  0.8529% (0.60   0.02   0.02) =   0.019%
          QD2   LEU  115 - HN    PHE   55   8.40 +/- 1.12   2.607% *  0.6084% (0.43   0.02   5.62) =   0.019%
          QD1   LEU   63 - HN    PHE   55  10.72 +/- 1.03   0.595% *  0.4161% (0.29   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   31  13.44 +/- 1.45   0.133% *  1.3068% (0.92   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LEU   31  14.86 +/- 1.78   0.065% *  0.8529% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  16.81 +/- 1.60   0.036% *  0.6207% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  19.79 +/- 2.05   0.014% *  1.2472% (0.88   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.71 +/- 1.03   0.027% *  0.4161% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.65 +/- 1.29   0.019% *  0.4161% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.06 +/- 1.58   0.011% *  0.6375% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.671, support = 7.62, residual support = 50.8:
          HB3   GLN   30 - HN    LEU   31   2.95 +/- 0.27  93.413% * 87.3327% (0.68   7.65  51.05) =  99.163%  kept
          HB    ILE   56 - HN    PHE   55   5.13 +/- 0.82   6.362% * 10.8150% (0.17   3.76  19.02) =   0.836%  kept
          HB3   PRO   58 - HN    PHE   55   9.58 +/- 0.89   0.116% *  0.1503% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.70 +/- 1.90   0.065% *  0.1330% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.16 +/- 0.31   0.014% *  0.1654% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.56 +/- 1.11   0.019% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.02 +/- 1.80   0.007% *  0.1180% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  21.38 +/- 4.00   0.001% *  0.1780% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.01 +/- 1.42   0.001% *  0.2727% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  25.10 +/- 1.38   0.000% *  0.3082% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.45 +/- 1.76   0.003% *  0.0237% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.49 +/- 1.52   0.000% *  0.1180% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.18 +/- 1.09   0.000% *  0.1114% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  26.85 +/- 2.24   0.000% *  0.0576% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.95 +/- 0.95   0.000% *  0.0807% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.68 +/- 2.25   0.000% *  0.0868% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.545, support = 5.81, residual support = 42.9:
          HG2   GLN   30 - HN    LEU   31   5.01 +/- 0.15  49.837% * 75.0090% (0.49   7.19  51.05) =  75.152%  kept
          HB3   ASN   28 - HN    LEU   31   5.01 +/- 0.23  50.117% * 24.6617% (0.71   1.63  18.42) =  24.848%  kept
          QE    LYS+ 121 - HN    LEU   31  20.32 +/- 2.84   0.017% *  0.0536% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.48 +/- 1.51   0.023% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.97 +/- 1.47   0.004% *  0.1017% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.71 +/- 1.47   0.002% *  0.1478% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.11 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.44, residual support = 51.0:
      O   HA    GLN   30 - HN    LEU   31   3.61 +/- 0.03  84.898% * 98.9089% (0.64  10.0   6.44  51.05) =  99.994%  kept
          HB2   CYS   53 - HN    PHE   55   5.10 +/- 0.25  10.900% *  0.0195% (0.13   1.0   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    PHE   55   6.23 +/- 0.41   3.502% *  0.0537% (0.35   1.0   0.02   0.59) =   0.002%
          HB    THR   39 - HN    LEU   31   9.12 +/- 0.79   0.382% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.80 +/- 0.54   0.223% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  15.60 +/- 4.15   0.030% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.30 +/- 2.22   0.015% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.36 +/- 1.63   0.012% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.08 +/- 1.04   0.027% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  19.64 +/- 2.46   0.004% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.20 +/- 2.03   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.54 +/- 1.58   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.78 +/- 1.52   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.79 +/- 0.73   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.68 +/- 1.07   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.25 +/- 1.29   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.99 +/- 0.77   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  30.48 +/- 1.11   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 6.33, residual support = 159.0:
      O   HA    ARG+  54 - HN    ARG+  54   2.76 +/- 0.05  99.899% * 99.0002% (0.61  10.0   6.33 159.00) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  13.02 +/- 1.11   0.011% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.21 +/- 0.87   0.045% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.39 +/- 1.18   0.025% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  15.69 +/- 1.34   0.004% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.19 +/- 2.45   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.47 +/- 0.79   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.27 +/- 1.71   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.77 +/- 1.34   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.38 +/- 0.98   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.93 +/- 0.88   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.53 +/- 2.70   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.94 +/- 1.27   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.48 +/- 1.34   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.09 +/- 1.56   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.31 +/- 2.01   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.98 +/- 0.99   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.97 +/- 0.79   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 86.2:
      O   HB2   TRP   49 - HN    TRP   49   3.60 +/- 0.10  99.763% * 99.6106% (0.98  10.0   4.00  86.17) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  11.85 +/- 1.43   0.183% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  14.90 +/- 2.59   0.051% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  21.99 +/- 1.22   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.37 +/- 1.80   0.002% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 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   2.85 +/- 0.73  99.980% * 98.5650% (1.00   2.55  15.95) = 100.000%  kept
          HG2   LYS+ 112 - HE1   TRP   49  16.90 +/- 3.65   0.011% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HE1   TRP   49  15.69 +/- 1.95   0.006% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  17.35 +/- 1.56   0.003% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.49 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   2.61 +/- 0.32  99.989% * 99.0217% (1.00   3.75  15.95) = 100.000%  kept
          HG2   LYS+ 112 - HN    TRP   49  16.70 +/- 2.70   0.006% *  0.3633% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    TRP   49  15.77 +/- 1.09   0.003% *  0.5104% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.49 +/- 0.83   0.002% *  0.1047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.74, support = 0.0735, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   4.20 +/- 1.04  89.899% * 11.9816% (0.90   0.02   0.02) =  68.054%  kept
          HD3   PRO   52 - HN    ALA   47   7.37 +/- 0.96   9.644% * 51.9393% (0.41   0.19   0.02) =  31.648%  kept
          HD2   PRO   58 - HN    ALA   47  11.13 +/- 1.48   0.320% * 10.6978% (0.80   0.02   0.02) =   0.216%
          HA    VAL   83 - HN    ALA   47  14.84 +/- 0.96   0.124% *  9.7013% (0.73   0.02   0.02) =   0.076%
          HA    GLN   30 - HN    ALA   47  21.08 +/- 0.54   0.010% *  6.5030% (0.49   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ALA   47  26.15 +/- 1.70   0.004% *  9.1770% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 3 structures by 0.23 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   2.75 +/- 0.35  99.159% * 99.4473% (0.87  10.0   3.03  37.78) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.71 +/- 0.90   0.789% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  13.57 +/- 1.24   0.010% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  14.77 +/- 1.79   0.011% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.95 +/- 2.06   0.016% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  14.73 +/- 1.31   0.006% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  14.03 +/- 0.74   0.008% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  22.73 +/- 2.54   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.91 +/- 0.71   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.31, residual support = 6.48:
          HB2   LEU   73 - HN    ASP-  44   4.46 +/- 0.80  96.018% * 94.9082% (0.87   2.31   6.49) =  99.977%  kept
          QG1   ILE   56 - HN    ASP-  44  10.18 +/- 1.48   1.549% *  0.5744% (0.61   0.02   0.02) =   0.010%
          QD    LYS+ 106 - HN    ASP-  44  11.34 +/- 1.21   0.484% *  0.9283% (0.98   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ASP-  44  12.32 +/- 0.76   0.362% *  0.6877% (0.73   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ASP-  44  11.04 +/- 1.29   0.734% *  0.2923% (0.31   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    ASP-  44  14.32 +/- 0.69   0.127% *  0.9387% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  13.99 +/- 0.93   0.142% *  0.4610% (0.49   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    ASP-  44  12.68 +/- 2.32   0.392% *  0.1461% (0.15   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.49 +/- 2.23   0.098% *  0.5744% (0.61   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    ASP-  44  16.11 +/- 1.29   0.069% *  0.1659% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.30 +/- 2.55   0.026% *  0.3230% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 3 structures by 0.27 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.597, support = 0.0198, residual support = 3.33:
          HB2   LYS+  74 - HN    ASP-  44   6.22 +/- 0.40  57.614% * 11.2006% (0.65   0.02   3.74) =  70.428%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.82 +/- 0.72  35.070% *  4.8140% (0.28   0.02   3.74) =  18.425%  kept
          QG2   THR   26 - HN    ASP-  44   9.64 +/- 0.44   4.573% * 15.5278% (0.90   0.02   0.02) =   7.750%  kept
          HG2   LYS+  65 - HN    ASP-  44  13.10 +/- 0.86   0.764% * 16.3785% (0.95   0.02   0.02) =   1.366%  kept
          HG    LEU  104 - HN    ASP-  44  13.78 +/- 1.47   0.781% *  7.1180% (0.41   0.02   0.02) =   0.607%  kept
          HD2   LYS+ 121 - HN    ASP-  44  16.05 +/- 1.97   0.277% * 16.9713% (0.98   0.02   0.02) =   0.513%  kept
          QD    LYS+  66 - HN    ASP-  44  15.26 +/- 0.79   0.294% * 15.5278% (0.90   0.02   0.02) =   0.498%
          HB3   LYS+ 111 - HN    ASP-  44  16.23 +/- 2.25   0.379% *  5.3440% (0.31   0.02   0.02) =   0.221%
          HB3   LYS+ 121 - HN    ASP-  44  15.99 +/- 1.84   0.248% *  7.1180% (0.41   0.02   0.02) =   0.193%
    Distance limit 4.67 A violated in 14 structures by 1.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.7, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.47 +/- 0.45  97.589% * 99.1884% (0.99  10.0   3.70  37.78) =  99.998%  kept
          HB3   PRO   93 - HN    ASP-  44   8.87 +/- 1.27   1.090% *  0.0836% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ASP-  44   9.22 +/- 1.12   0.458% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.61 +/- 1.98   0.395% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  11.43 +/- 2.47   0.135% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  11.24 +/- 1.60   0.128% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  11.97 +/- 0.88   0.077% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.82 +/- 0.80   0.078% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.84 +/- 2.65   0.007% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.51 +/- 2.34   0.009% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.51 +/- 0.88   0.015% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.96 +/- 1.80   0.007% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.67 +/- 0.59   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.97 +/- 0.91   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.3:
          QG1   VAL   43 - HN    ASP-  44   4.20 +/- 0.40  82.299% * 97.7625% (0.90   4.17  15.33) =  99.893%  kept
          QG2   THR   46 - HN    ASP-  44   6.34 +/- 0.92  10.053% *  0.5177% (0.99   0.02   0.02) =   0.065%
          QG2   VAL   18 - HN    ASP-  44   7.30 +/- 1.07   4.792% *  0.5212% (1.00   0.02   0.02) =   0.031%
          QG1   VAL   41 - HN    ASP-  44   8.88 +/- 0.44   1.042% *  0.3793% (0.73   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ASP-  44   8.95 +/- 0.64   0.944% *  0.3992% (0.76   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    ASP-  44   9.89 +/- 1.03   0.689% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.52 +/- 1.25   0.182% *  0.3168% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 15.3:
          QG2   VAL   43 - HN    ASP-  44   2.89 +/- 0.34  98.826% * 99.0026% (0.65   3.71  15.33) =  99.995%  kept
          QD2   LEU   31 - HN    ASP-  44   7.32 +/- 0.76   0.602% *  0.6309% (0.76   0.02   0.02) =   0.004%
          QG2   VAL   83 - HN    ASP-  44   8.92 +/- 2.69   0.453% *  0.2548% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    ASP-  44   9.75 +/- 2.70   0.119% *  0.1117% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.522, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.24 +/- 0.14  95.052% * 36.5033% (0.53   0.02   0.02) =  96.500%  kept
          HA    THR   23 - HN    VAL   43  14.22 +/- 0.96   3.986% * 21.4145% (0.31   0.02   0.02) =   2.374%  kept
          HA    ASP-  78 - HN    VAL   43  17.77 +/- 0.66   0.962% * 42.0822% (0.61   0.02   0.02) =   1.126%  kept
    Distance limit 4.57 A violated in 20 structures by 3.60 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   4.76 +/- 0.28 100.000% *100.0000% (0.53   1.50  16.40) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.16 +/- 0.62  99.357% * 97.4132% (0.97   2.96  16.40) =  99.998%  kept
          HB    VAL   70 - HN    VAL   43   9.44 +/- 0.66   0.229% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.52 +/- 1.15   0.346% *  0.1898% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  13.78 +/- 1.00   0.021% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.14 +/- 1.07   0.020% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.59 +/- 0.68   0.019% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.81 +/- 0.83   0.008% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 4.24, residual support = 60.6:
      O   HB    VAL   43 - HN    VAL   43   2.81 +/- 0.27  99.932% * 99.7821% (0.87  10.0   4.24  60.64) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.29 +/- 0.65   0.052% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  14.62 +/- 2.76   0.010% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.75 +/- 1.15   0.002% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.53 +/- 0.82   0.004% *  0.0177% (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 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.795, support = 5.19, residual support = 36.2:
          HB    VAL   42 - HN    VAL   43   4.47 +/- 0.06  46.021% * 73.3603% (0.84   5.65  40.21) =  89.356%  kept
          HG    LEU   98 - HN    VAL   43   5.66 +/- 2.04  29.473% * 10.4586% (0.49   1.38   0.32) =   8.158%  kept
          HB3   ASP-  44 - HN    VAL   43   6.33 +/- 0.46   6.435% *  8.6240% (0.25   2.22  15.33) =   1.469%  kept
          HB3   LEU   73 - HN    VAL   43   7.12 +/- 1.05   5.357% *  3.7811% (0.90   0.27   7.84) =   0.536%  kept
          QB    LEU   98 - HN    VAL   43   6.02 +/- 1.04  10.354% *  1.7036% (0.18   0.63   0.32) =   0.467%
          HG3   LYS+ 106 - HN    VAL   43   8.53 +/- 0.87   1.253% *  0.3103% (1.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    VAL   43  10.96 +/- 1.13   0.306% *  0.2012% (0.65   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    VAL   43   9.70 +/- 1.06   0.529% *  0.0545% (0.18   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   43  13.41 +/- 1.81   0.089% *  0.1886% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   43  13.86 +/- 0.99   0.053% *  0.2870% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.80 +/- 0.51   0.057% *  0.2376% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.45 +/- 0.74   0.028% *  0.2597% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.52 +/- 1.20   0.010% *  0.3001% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  17.27 +/- 3.23   0.024% *  0.1167% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.47 +/- 2.37   0.012% *  0.1167% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.24, residual support = 60.6:
          QG1   VAL   43 - HN    VAL   43   2.51 +/- 0.45  99.179% * 98.2106% (0.90   5.24  60.64) =  99.998%  kept
          QG1   VAL   41 - HN    VAL   43   6.63 +/- 0.19   0.445% *  0.3033% (0.73   0.02   1.73) =   0.001%
          QG2   VAL   18 - HN    VAL   43   9.40 +/- 0.94   0.072% *  0.4168% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.47 +/- 0.89   0.054% *  0.4140% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.08 +/- 1.00   0.070% *  0.3192% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.07 +/- 1.25   0.072% *  0.2534% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.02 +/- 1.21   0.108% *  0.0827% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.694, support = 1.99, residual support = 1.72:
          QG2   VAL   41 - HN    VAL   43   4.87 +/- 0.49  28.522% * 85.0128% (0.73   2.29   1.73) =  85.495%  kept
          QD2   LEU   98 - HN    VAL   43   4.60 +/- 1.38  51.297% *  6.5279% (0.53   0.24   0.32) =  11.807%  kept
          QD1   LEU   73 - HN    VAL   43   5.76 +/- 0.68  11.649% *  6.1196% (0.45   0.27   7.84) =   2.513%  kept
          QD2   LEU   63 - HN    VAL   43   8.06 +/- 1.77   2.639% *  1.0041% (0.98   0.02   0.02) =   0.093%
          QD1   LEU   63 - HN    VAL   43   7.22 +/- 1.67   5.247% *  0.4593% (0.45   0.02   0.02) =   0.085%
          QD1   LEU   80 - HN    VAL   43  12.16 +/- 2.27   0.151% *  0.5390% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43  10.66 +/- 2.27   0.315% *  0.1581% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   43  11.60 +/- 2.09   0.180% *  0.1794% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 40.2:
          QG1   VAL   42 - HN    VAL   43   2.82 +/- 0.32  99.807% * 99.2461% (0.97   5.14  40.21) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.66 +/- 0.50   0.170% *  0.0793% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.86 +/- 0.98   0.021% *  0.3996% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.72 +/- 1.53   0.002% *  0.2751% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.79, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.72 +/- 0.77  77.840% * 27.6841% (0.73   0.02   0.02) =  72.732%  kept
          QG2   VAL   83 - HN    VAL   43  10.45 +/- 3.06  12.763% * 38.1246% (1.00   0.02   0.02) =  16.423%  kept
          QD1   ILE   89 - HN    VAL   43  10.92 +/- 2.87   9.397% * 34.1913% (0.90   0.02   0.02) =  10.845%  kept
    Distance limit 4.05 A violated in 20 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.729, support = 5.03, residual support = 17.9:
          HB    VAL   41 - HN    VAL   42   4.09 +/- 0.46  23.921% * 85.6822% (0.97   5.68  23.72) =  68.255%  kept
          HB2   LEU   71 - HN    VAL   42   3.25 +/- 0.33  75.728% * 12.5873% (0.22   3.62   5.37) =  31.743%  kept
          HG12  ILE  103 - HN    VAL   42  10.13 +/- 1.48   0.116% *  0.3126% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   42  12.19 +/- 0.77   0.031% *  0.2611% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.25 +/- 0.86   0.050% *  0.1066% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.26 +/- 1.39   0.070% *  0.0482% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  12.00 +/- 0.87   0.035% *  0.0619% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.13 +/- 0.59   0.018% *  0.0780% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  18.22 +/- 3.75   0.005% *  0.2804% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  13.84 +/- 0.90   0.016% *  0.0696% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.62 +/- 1.33   0.006% *  0.1770% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.56 +/- 1.80   0.002% *  0.2804% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  21.66 +/- 1.78   0.001% *  0.0547% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.78, residual support = 88.5:
      O   HB    VAL   42 - HN    VAL   42   2.36 +/- 0.18  98.327% * 99.1706% (0.98  10.0   5.78  88.53) =  99.999%  kept
          HB3   LEU   73 - HN    VAL   42   6.29 +/- 0.87   0.435% *  0.0957% (0.95   1.0   0.02   1.46) =   0.000%
          QB    LEU   98 - HN    VAL   42   5.83 +/- 0.76   0.618% *  0.0573% (0.57   1.0   0.02   0.62) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.39 +/- 1.21   0.564% *  0.0137% (0.14   1.0   0.02   0.62) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.22 +/- 0.50   0.016% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.51 +/- 1.13   0.011% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.75 +/- 0.85   0.013% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.77 +/- 0.94   0.003% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.45 +/- 0.98   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.42 +/- 2.27   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  15.13 +/- 2.71   0.003% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.50 +/- 1.31   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.70 +/- 2.52   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.83 +/- 1.73   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.39 +/- 1.25   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 0.924, residual support = 1.42:
          QD1   LEU   40 - HN    VAL   42   4.29 +/- 0.75  98.200% * 97.2353% (0.98   0.92   1.42) =  99.969%  kept
          QD2   LEU   67 - HN    VAL   42   9.43 +/- 0.92   1.628% *  1.7195% (0.80   0.02   0.02) =   0.029%
          QG1   VAL  108 - HN    VAL   42  13.57 +/- 2.02   0.172% *  1.0452% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.824, support = 4.79, residual support = 33.2:
          QG1   VAL   43 - HN    VAL   42   4.05 +/- 0.68  53.032% * 50.1718% (0.90   4.41  40.21) =  57.321%  kept
          QG1   VAL   41 - HN    VAL   42   4.20 +/- 0.29  40.474% * 48.9247% (0.73   5.31  23.72) =  42.659%  kept
          QD1   ILE   19 - HN    VAL   42   7.59 +/- 1.29   2.620% *  0.1941% (0.76   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    VAL   42   8.86 +/- 0.81   0.619% *  0.2534% (1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   42   7.70 +/- 1.49   2.565% *  0.0503% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   42   9.31 +/- 1.11   0.584% *  0.1540% (0.61   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    VAL   42  11.59 +/- 0.92   0.105% *  0.2517% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.72, support = 5.87, residual support = 23.3:
          QG2   VAL   41 - HN    VAL   42   3.27 +/- 0.49  72.602% * 91.0863% (0.73   5.97  23.72) =  98.324%  kept
          QD1   LEU   73 - HN    VAL   42   4.35 +/- 0.55  18.015% *  4.7518% (0.45   0.50   1.46) =   1.273%  kept
          QD2   LEU   98 - HN    VAL   42   5.04 +/- 0.81   8.401% *  3.2012% (0.53   0.29   0.62) =   0.400%
          QD2   LEU   63 - HN    VAL   42   8.64 +/- 1.60   0.364% *  0.4122% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   42   8.49 +/- 1.51   0.523% *  0.1886% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  13.16 +/- 2.46   0.024% *  0.2213% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.63 +/- 2.40   0.052% *  0.0649% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  13.59 +/- 2.06   0.019% *  0.0737% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.41, residual support = 88.5:
          QG1   VAL   42 - HN    VAL   42   3.47 +/- 0.10  99.984% * 99.2552% (0.87   5.41  88.53) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.62 +/- 0.78   0.013% *  0.3230% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.53 +/- 1.60   0.003% *  0.4218% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.599, support = 5.28, residual support = 87.2:
          QG2   VAL   42 - HN    VAL   42   3.32 +/- 0.14  78.761% * 94.1271% (0.61   5.35  88.53) =  98.456%  kept
          QG2   VAL   70 - HN    VAL   42   4.18 +/- 0.24  20.693% *  5.6126% (0.14   1.43   1.30) =   1.542%  kept
          QG2   VAL   75 - HN    VAL   42   7.81 +/- 0.59   0.546% *  0.2603% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.66 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 = 4.51, residual support = 74.1:
      O   HB    VAL   41 - HN    VAL   41   2.84 +/- 0.41  94.632% * 99.3523% (0.90  10.0   4.51  74.09) =  99.996%  kept
          HB2   LEU   71 - HN    VAL   41   5.25 +/- 0.63   4.602% *  0.0672% (0.61   1.0   0.02   4.37) =   0.003%
          HG12  ILE  103 - HN    VAL   41   8.17 +/- 1.48   0.387% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.03 +/- 1.11   0.355% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  13.95 +/- 0.88   0.009% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.74 +/- 0.53   0.005% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  18.97 +/- 4.43   0.004% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.54 +/- 1.16   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.62 +/- 1.48   0.004% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.46 +/- 2.05   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 3.78, residual support = 18.9:
          HG    LEU   40 - HN    VAL   41   3.44 +/- 0.71  97.988% * 80.6183% (0.18   3.78  18.91) =  99.960%  kept
          HG    LEU   73 - HN    VAL   41   8.29 +/- 1.18   1.086% *  1.4773% (0.61   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    VAL   41  11.05 +/- 1.52   0.212% *  2.3041% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    VAL   41   9.65 +/- 1.36   0.387% *  1.1856% (0.49   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    VAL   41  12.01 +/- 1.96   0.152% *  2.1844% (0.90   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    VAL   41  15.07 +/- 0.91   0.024% *  2.4303% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.84 +/- 1.10   0.030% *  1.9504% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  14.92 +/- 3.20   0.052% *  0.8308% (0.34   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    VAL   41  17.72 +/- 1.63   0.015% *  2.3041% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  18.50 +/- 2.92   0.011% *  2.3506% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.97 +/- 0.93   0.024% *  0.7518% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  18.77 +/- 2.58   0.009% *  1.1856% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.66 +/- 1.72   0.012% *  0.4266% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.19 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 1.47, residual support = 8.64:
          QB    ALA   34 - HN    VAL   41   4.36 +/- 0.25  79.253% * 73.6802% (0.90   1.46   9.31) =  92.664%  kept
          QG2   THR   39 - HN    VAL   41   5.57 +/- 0.35  19.871% * 23.2388% (0.28   1.49   0.11) =   7.328%  kept
          HG3   LYS+  38 - HN    VAL   41   9.82 +/- 0.91   0.749% *  0.5907% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  16.25 +/- 0.83   0.032% *  1.1128% (0.99   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    VAL   41  16.36 +/- 1.31   0.031% *  0.8153% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.28 +/- 0.78   0.046% *  0.2500% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.17 +/- 1.52   0.018% *  0.3122% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.55, residual support = 18.9:
          QD2   LEU   40 - HN    VAL   41   2.67 +/- 0.68  98.625% * 97.7704% (0.92   4.55  18.91) =  99.995%  kept
          QD2   LEU   71 - HN    VAL   41   7.28 +/- 0.58   0.530% *  0.3011% (0.65   0.02   4.37) =   0.002%
          QD1   LEU   67 - HN    VAL   41   8.57 +/- 1.01   0.334% *  0.4403% (0.95   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   41   8.24 +/- 0.56   0.240% *  0.4613% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.29 +/- 1.28   0.244% *  0.2449% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    VAL   41  16.18 +/- 0.99   0.004% *  0.4644% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  15.07 +/- 2.97   0.011% *  0.1588% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.74 +/- 0.79   0.011% *  0.1588% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 74.1:
          QG1   VAL   41 - HN    VAL   41   2.39 +/- 0.44  98.190% * 98.1714% (1.00   4.45  74.09) =  99.995%  kept
          QG1   VAL   43 - HN    VAL   41   5.88 +/- 0.76   0.771% *  0.4177% (0.95   0.02   1.73) =   0.003%
          QD2   LEU   73 - HN    VAL   41   6.96 +/- 0.66   0.427% *  0.1980% (0.45   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   8.42 +/- 1.42   0.155% *  0.2678% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   41   6.95 +/- 1.28   0.358% *  0.0874% (0.20   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.16 +/- 1.49   0.085% *  0.1363% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  12.18 +/- 0.73   0.010% *  0.3375% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.75 +/- 0.88   0.003% *  0.2857% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.07 +/- 0.73   0.002% *  0.0983% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.708, support = 4.11, residual support = 69.7:
          QG2   VAL   41 - HN    VAL   41   3.41 +/- 0.74  69.350% * 79.0031% (0.73   4.37  74.09) =  90.746%  kept
          QD2   LEU   98 - HN    VAL   41   4.20 +/- 0.60  28.425% * 19.6371% (0.53   1.50  26.65) =   9.245%  kept
          QD1   LEU   73 - HN    VAL   41   6.94 +/- 0.85   1.860% *  0.2231% (0.45   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    VAL   41  10.36 +/- 1.74   0.188% *  0.4878% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   41  10.69 +/- 1.46   0.125% *  0.2231% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    VAL   41  15.92 +/- 2.44   0.012% *  0.2618% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  14.19 +/- 2.46   0.025% *  0.0768% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  15.42 +/- 2.12   0.015% *  0.0872% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.7, residual support = 2.69:
          QG2   VAL   70 - HN    VAL   41   5.31 +/- 0.42  98.061% * 98.4352% (0.18   2.70   2.70) =  99.969%  kept
          QG2   THR  118 - HN    VAL   41  11.06 +/- 1.77   1.939% *  1.5648% (0.38   0.02   0.02) =   0.031%
    Distance limit 4.87 A violated in 2 structures by 0.48 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.387, support = 1.51, residual support = 29.5:
          HA    VAL   70 - HN    LEU   40   4.28 +/- 0.73  87.546% * 39.1475% (0.28   1.66  35.45) =  83.104%  kept
          HB2   SER   37 - HN    LEU   40   6.32 +/- 0.19  11.849% * 58.7183% (0.92   0.75   0.12) =  16.872%  kept
          HA1   GLY   16 - HN    LEU   40  11.75 +/- 2.29   0.592% *  1.6626% (0.98   0.02   0.02) =   0.024%
          HA    GLN  116 - HN    LEU   40  19.96 +/- 2.80   0.013% *  0.4716% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.81 +/- 0.17  97.790% * 94.9776% (0.41   3.92  23.70) =  99.991%  kept
          HB3   SER   37 - HN    LEU   40   7.34 +/- 0.39   2.017% *  0.3277% (0.28   0.02   0.12) =   0.007%
          HA    GLN   30 - HN    LEU   40  11.53 +/- 0.77   0.140% *  1.1150% (0.95   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   40  14.80 +/- 1.97   0.047% *  0.5285% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  25.34 +/- 3.77   0.002% *  0.9008% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.62 +/- 0.90   0.001% *  0.6673% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.38 +/- 2.07   0.001% *  1.1554% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  24.87 +/- 2.67   0.002% *  0.3277% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.547, support = 0.746, residual support = 11.0:
          QE    LYS+  99 - HN    LEU   40   4.14 +/- 1.32  90.558% * 50.3705% (0.57   0.72  11.90) =  92.565%  kept
          QE    LYS+  38 - HN    LEU   40   8.16 +/- 1.62   8.673% * 42.0910% (0.31   1.10   0.02) =   7.408%  kept
          HB2   PHE   97 - HN    LEU   40  10.32 +/- 0.72   0.405% *  2.3923% (0.97   0.02   1.79) =   0.020%
          HB3   TRP   27 - HN    LEU   40  15.07 +/- 0.98   0.048% *  2.4299% (0.98   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    LEU   40  14.10 +/- 1.41   0.070% *  1.4035% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  12.53 +/- 1.23   0.204% *  0.3825% (0.15   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    LEU   40  16.86 +/- 1.83   0.043% *  0.9304% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.71, residual support = 101.2:
      O   HB2   LEU   40 - HN    LEU   40   2.84 +/- 0.41  99.965% * 99.7221% (0.97  10.0   4.71 101.21) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  12.93 +/- 1.24   0.017% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.22 +/- 1.93   0.011% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.92 +/- 1.41   0.006% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.86 +/- 3.19   0.001% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.64 +/- 1.32   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.611, support = 4.85, residual support = 101.2:
      O   HB3   LEU   40 - HN    LEU   40   2.22 +/- 0.27  97.080% * 68.9526% (0.61  10.0   4.84 101.21) =  98.730%  kept
          HG    LEU   40 - HN    LEU   40   4.11 +/- 0.34   2.824% * 30.4767% (0.92   1.0   5.81 101.21) =   1.269%  kept
          HG    LEU   67 - HN    LEU   40  10.04 +/- 1.54   0.025% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.05 +/- 1.06   0.017% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   9.31 +/- 1.53   0.044% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  11.82 +/- 1.58   0.005% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.86 +/- 2.95   0.002% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.74 +/- 1.12   0.003% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  19.27 +/- 1.65   0.000% *  0.1049% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  20.67 +/- 2.10   0.000% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.292, support = 3.62, residual support = 23.2:
          QG2   THR   39 - HN    LEU   40   2.41 +/- 0.30  98.411% * 39.1258% (0.28   3.67  23.70) =  97.758%  kept
          QB    ALA   34 - HN    LEU   40   5.13 +/- 0.49   1.502% * 58.7682% (0.90   1.71   0.02) =   2.241%  kept
          HG3   LYS+  38 - HN    LEU   40   8.15 +/- 0.61   0.084% *  0.4038% (0.53   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    LEU   40  18.01 +/- 0.82   0.001% *  0.7607% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  18.01 +/- 1.04   0.001% *  0.5573% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.11 +/- 0.64   0.001% *  0.1709% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.25 +/- 1.30   0.000% *  0.2134% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.893, support = 1.15, residual support = 22.1:
          QG1   VAL   70 - HN    LEU   40   5.42 +/- 1.08  41.819% * 65.0388% (0.84   1.50  35.45) =  60.046%  kept
          QD1   LEU   71 - HN    LEU   40   4.90 +/- 1.25  56.563% * 31.9723% (0.98   0.63   1.94) =  39.925%  kept
          HB3   LEU  104 - HN    LEU   40  10.94 +/- 1.27   0.915% *  0.9584% (0.92   0.02   0.02) =   0.019%
          QD1   LEU  123 - HN    LEU   40  14.21 +/- 3.87   0.198% *  1.0177% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LEU   40  12.52 +/- 0.89   0.209% *  0.7539% (0.73   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU   40  12.41 +/- 1.31   0.296% *  0.2589% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 4 structures by 0.33 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 4.7, residual support = 93.0:
          QD2   LEU   40 - HN    LEU   40   4.21 +/- 0.18  80.655% * 65.3828% (0.53   5.00 101.21) =  91.711%  kept
          QD2   LEU   71 - HN    LEU   40   5.73 +/- 0.52  14.507% * 32.7573% (0.98   1.34   1.94) =   8.264%  kept
          QD1   LEU   67 - HN    LEU   40   7.71 +/- 1.24   4.256% *  0.2815% (0.57   0.02   0.02) =   0.021%
          QD1   ILE  103 - HN    LEU   40  11.66 +/- 1.20   0.222% *  0.4589% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.20 +/- 0.65   0.259% *  0.3415% (0.69   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  15.11 +/- 3.11   0.086% *  0.3799% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.70 +/- 1.08   0.016% *  0.3981% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.16, residual support = 35.5:
          QG2   VAL   70 - HN    LEU   40   4.87 +/- 0.47 100.000% *100.0000% (0.57   6.16  35.45) = 100.000%  kept
    Distance limit 4.43 A violated in 4 structures by 0.50 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.235, support = 1.93, residual support = 8.44:
          HA    ALA   34 - HN    THR   39   2.77 +/- 0.37  99.307% * 23.0513% (0.22   1.94   8.62) =  97.879%  kept
          HA    GLU-  36 - HN    THR   39   6.57 +/- 0.11   0.677% * 73.2377% (0.80   1.71   0.02) =   2.121%  kept
          HA    ASN   28 - HN    THR   39  12.67 +/- 0.42   0.013% *  0.4008% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  20.80 +/- 6.29   0.002% *  1.0306% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  26.61 +/- 1.99   0.000% *  0.9577% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.66 +/- 1.42   0.000% *  0.3643% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  28.62 +/- 1.71   0.000% *  0.9577% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 2.86, residual support = 6.12:
          HA    SER   37 - HN    THR   39   4.25 +/- 0.11  82.926% * 53.1658% (0.90   2.79   3.17) =  85.628%  kept
          HA    LEU   40 - HN    THR   39   5.56 +/- 0.05  16.494% * 44.8546% (0.65   3.26  23.70) =  14.369%  kept
          HA    GLU-  15 - HN    THR   39  12.17 +/- 1.44   0.204% *  0.3552% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.99 +/- 0.19   0.278% *  0.1451% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.46 +/- 2.05   0.058% *  0.3552% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  16.11 +/- 1.47   0.034% *  0.3814% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.35 +/- 0.46   0.003% *  0.4023% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.90 +/- 1.32   0.003% *  0.3405% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.408, support = 3.75, residual support = 37.3:
      O   HB    THR   39 - HN    THR   39   2.61 +/- 0.19  76.840% * 92.2696% (0.41  10.0   3.79  38.09) =  97.820%  kept
          HB3   SER   37 - HN    THR   39   3.35 +/- 0.46  23.113% *  6.8365% (0.28   1.0   2.19   3.17) =   2.180%  kept
          HA    GLN   30 - HN    THR   39   9.33 +/- 0.59   0.042% *  0.2123% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.09 +/- 2.46   0.005% *  0.1006% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  24.91 +/- 3.97   0.000% *  0.1715% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  27.33 +/- 0.75   0.000% *  0.1271% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.21 +/- 1.95   0.000% *  0.2200% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  26.41 +/- 2.64   0.000% *  0.0624% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.743, support = 3.27, residual support = 24.0:
          QG2   THR   39 - HN    THR   39   3.57 +/- 0.27  50.122% * 21.0602% (0.49   3.75  38.09) =  44.771%  kept
          QB    ALA   34 - HN    THR   39   3.65 +/- 0.24  45.024% * 22.9971% (1.00   2.00   8.62) =  43.916%  kept
          HG3   LYS+  38 - HN    THR   39   5.37 +/- 0.33   4.817% * 55.3722% (0.76   6.29  27.89) =  11.313%  kept
          HG13  ILE   19 - HN    THR   39  12.61 +/- 1.17   0.031% *  0.0456% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.23 +/- 0.78   0.004% *  0.1999% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.85 +/- 1.14   0.001% *  0.2128% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.93 +/- 1.35   0.001% *  0.1122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 6.6, residual support = 219.0:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  99.754% * 99.7734% (0.80  10.0   6.60 219.04) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   7.01 +/- 2.31   0.246% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.98 +/- 0.36   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  23.82 +/- 4.20   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.81 +/- 1.36   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.0:
      O   HB2   LYS+  38 - HN    LYS+  38   3.15 +/- 0.19  99.936% * 99.7624% (1.00  10.0   5.63 219.04) = 100.000%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.66 +/- 0.88   0.012% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.02 +/- 0.63   0.022% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  13.36 +/- 0.91   0.021% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.24 +/- 1.50   0.007% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.04 +/- 0.43   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.92 +/- 1.61   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 219.0:
      O   HB3   LYS+  38 - HN    LYS+  38   4.01 +/- 0.12  93.343% * 99.4497% (0.90  10.0   5.20 219.04) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.37 +/- 0.40   6.341% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  10.84 +/- 0.85   0.278% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.83 +/- 1.05   0.014% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  19.80 +/- 4.19   0.019% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.53 +/- 1.19   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  28.36 +/- 1.44   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.89 +/- 1.12   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.95 +/- 1.86   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.44 +/- 1.51   0.000% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 219.0:
          HG2   LYS+  38 - HN    LYS+  38   3.37 +/- 0.30  99.454% * 98.4039% (0.65   5.86 219.04) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.96 +/- 1.32   0.356% *  0.2733% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.80 +/- 0.28   0.181% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.52 +/- 0.79   0.002% *  0.4913% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.75 +/- 0.81   0.005% *  0.0801% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  25.07 +/- 2.88   0.001% *  0.4913% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.84 +/- 2.86   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 27.9:
          HB2   LYS+  38 - HN    THR   39   4.25 +/- 0.17  99.259% * 99.1112% (1.00   5.31  27.89) =  99.999%  kept
          HB    VAL   70 - HN    THR   39  10.75 +/- 0.87   0.445% *  0.0738% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    THR   39  14.84 +/- 1.01   0.061% *  0.2710% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  13.18 +/- 0.78   0.126% *  0.1273% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  14.29 +/- 1.48   0.096% *  0.0930% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  18.87 +/- 0.44   0.014% *  0.1273% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  30.72 +/- 1.46   0.001% *  0.1963% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 26.9:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.34  97.546% * 99.5080% (0.99  10.0   3.43  26.90) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.12 +/- 0.22   2.344% *  0.0995% (0.99   1.0   0.02   3.17) =   0.002%
          HA    GLN   30 - HN    SER   37   8.53 +/- 0.45   0.103% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.16 +/- 2.75   0.007% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  24.74 +/- 4.13   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.92 +/- 1.65   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  27.61 +/- 2.69   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.17 +/- 1.90   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.38 +/- 0.23  99.277% * 98.3035% (1.00   3.72  18.93) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   9.46 +/- 2.19   0.623% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.61 +/- 0.71   0.064% *  0.4588% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.32 +/- 0.90   0.034% *  0.2575% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  24.00 +/- 1.11   0.001% *  0.5243% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  31.86 +/- 1.63   0.000% *  0.3633% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.12, residual support = 13.3:
          HG2   LYS+  38 - HN    SER   37   4.93 +/- 0.19  98.713% * 97.0645% (0.38   4.12  13.34) =  99.995%  kept
          HG2   LYS+  99 - HN    SER   37  10.55 +/- 1.30   1.192% *  0.3493% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    SER   37  16.83 +/- 0.84   0.067% *  0.4286% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  20.33 +/- 0.79   0.021% *  1.2453% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  25.17 +/- 2.83   0.007% *  0.9123% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 52.0:
          HB2   ASN   35 - HN    GLU-  36   3.53 +/- 0.16  93.536% * 97.9497% (0.65   6.05  52.06) =  99.969%  kept
          QE    LYS+  33 - HN    GLU-  36   6.09 +/- 0.96   6.389% *  0.4340% (0.87   0.02   0.02) =   0.030%
          HB2   ASN   28 - HN    GLU-  36  11.85 +/- 0.50   0.070% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  22.77 +/- 4.63   0.002% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.99 +/- 1.34   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.42 +/- 1.13   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.7:
          HG2   GLU-  36 - HN    GLU-  36   3.54 +/- 0.50  99.990% * 99.4350% (0.97   4.85  86.69) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.81 +/- 0.99   0.009% *  0.3401% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.39 +/- 1.01   0.001% *  0.1594% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.43 +/- 2.57   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.7:
      O   QB    GLU-  36 - HN    GLU-  36   2.11 +/- 0.07  99.970% * 99.6951% (0.90  10.0   7.31  86.69) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36  10.65 +/- 2.28   0.017% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.07 +/- 0.57   0.009% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.68 +/- 0.79   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.16 +/- 1.20   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.14 +/- 0.45   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  31.18 +/- 1.78   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   4.01 +/- 0.31  99.611% * 97.3229% (0.65   4.85  86.69) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.23 +/- 2.14   0.228% *  0.2780% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  17.26 +/- 3.67   0.044% *  0.5561% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  14.22 +/- 1.81   0.074% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  16.23 +/- 0.70   0.025% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.98 +/- 0.69   0.010% *  0.2115% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  23.42 +/- 1.16   0.003% *  0.3018% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.11 +/- 1.35   0.002% *  0.3511% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.12 +/- 1.00   0.001% *  0.4012% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  26.94 +/- 2.00   0.001% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.74 +/- 2.06   0.001% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.267, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   8.28 +/- 3.08  92.542% * 14.8773% (0.20   0.02   0.02) =  81.263%  kept
          HB2   TRP   27 - HD22  ASN   35  14.94 +/- 1.26   7.237% * 42.5614% (0.57   0.02   0.02) =  18.181%  kept
          HD2   PRO   93 - HD22  ASN   35  27.58 +/- 1.68   0.221% * 42.5614% (0.57   0.02   0.02) =   0.556%  kept
    Distance limit 4.84 A violated in 18 structures by 3.27 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.66 +/- 0.25  99.550% * 99.5004% (0.76  10.0   3.60  55.52) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.56 +/- 1.19   0.314% *  0.0995% (0.76   1.0   0.02   1.51) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  11.96 +/- 1.13   0.128% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  20.43 +/- 4.60   0.006% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.93 +/- 1.26   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  27.82 +/- 1.26   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 1.56, residual support = 5.68:
          HA    GLN   32 - HD21  ASN   35   3.81 +/- 0.54  96.559% * 52.8491% (0.76   1.56   5.78) =  97.721%  kept
          HA    LYS+  33 - HD21  ASN   35   6.94 +/- 0.62   2.816% * 42.1000% (0.69   1.39   1.51) =   2.270%  kept
          HA    GLU-  29 - HD21  ASN   35   9.08 +/- 0.72   0.569% *  0.7391% (0.83   0.02   0.02) =   0.008%
          HA    VAL   70 - HD21  ASN   35  14.89 +/- 1.11   0.039% *  0.3321% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.11 +/- 1.06   0.008% *  0.7675% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  22.29 +/- 3.92   0.005% *  0.8168% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  25.48 +/- 3.68   0.002% *  0.7085% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  28.94 +/- 1.80   0.001% *  0.8539% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.75 +/- 2.77   0.001% *  0.3321% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  30.99 +/- 2.16   0.001% *  0.5009% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.57 +/- 0.52  99.736% * 99.3188% (0.61  10.0   3.60  55.52) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.21 +/- 1.26   0.209% *  0.1469% (0.90   1.0   0.02   1.51) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.65 +/- 0.83   0.053% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  19.85 +/- 4.71   0.001% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.12 +/- 1.31   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  26.75 +/- 1.15   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 4.11, residual support = 44.1:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.03  81.621% * 97.7947% (0.65  10.0   4.13  44.20) =  99.717%  kept
          HA    GLU-  29 - HN    GLN   32   3.56 +/- 0.11  16.790% *  1.3387% (0.92   1.0   0.19   0.02) =   0.281%
          HA    LYS+  33 - HN    GLN   32   5.28 +/- 0.06   1.580% *  0.1211% (0.80   1.0   0.02  11.31) =   0.002%
          HA    VAL   18 - HN    GLN   32  15.48 +/- 0.71   0.003% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  14.36 +/- 1.10   0.004% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  17.91 +/- 3.92   0.002% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  22.77 +/- 3.28   0.000% *  0.1038% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.71 +/- 1.12   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.66 +/- 2.21   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.75 +/- 1.42   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 149.8:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.02  94.913% * 99.4322% (0.87  10.0   5.59 149.82) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   4.88 +/- 0.50   4.814% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   7.90 +/- 0.63   0.247% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  12.90 +/- 1.15   0.014% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.51 +/- 0.71   0.006% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.63 +/- 2.13   0.004% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  19.98 +/- 3.85   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.36 +/- 2.37   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.60 +/- 1.04   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.446, support = 3.56, residual support = 22.0:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  27.771% * 72.7829% (0.18  10.0   5.10  34.48) =  62.327%  kept
          HA    THR   26 - HN    GLU-  29   3.21 +/- 0.12  59.773% * 18.9638% (0.95   1.0   0.96   1.51) =  34.954%  kept
          HA    GLU-  25 - HN    GLU-  29   4.24 +/- 0.27  12.391% *  7.1153% (0.22   1.0   1.54   0.02) =   2.719%  kept
          HA    ALA   34 - HN    GLU-  29  10.99 +/- 0.42   0.038% *  0.1283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.41 +/- 0.44   0.018% *  0.1709% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  16.28 +/- 3.81   0.008% *  0.2023% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.03 +/- 1.02   0.000% *  0.2855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.96 +/- 1.17   0.000% *  0.2688% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.51 +/- 1.52   0.000% *  0.0822% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 106.5:
      O   HB2   ASN   28 - HD22  ASN   28   3.49 +/- 0.23  99.467% * 99.6000% (0.95  10.0   4.46 106.49) = 100.000%  kept
          HB2   ASP-  86 - HD22  ASN   28  11.24 +/- 4.05   0.236% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  10.20 +/- 1.21   0.200% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.74 +/- 1.20   0.082% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.26 +/- 1.01   0.012% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  20.83 +/- 1.36   0.003% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 154.4:
      O   HG2   GLN   30 - HE21  GLN   30   3.76 +/- 0.14  99.811% * 99.8337% (0.61  10.0   4.01 154.37) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.89 +/- 0.23   0.178% *  0.1375% (0.84   1.0   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  18.30 +/- 2.67   0.011% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 154.4:
      O   HG2   GLN   30 - HE22  GLN   30   2.81 +/- 0.27  99.910% * 99.8337% (0.61  10.0   4.03 154.37) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   9.40 +/- 0.30   0.088% *  0.1375% (0.84   1.0   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  18.52 +/- 2.64   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 106.5:
      O   HB3   ASN   28 - HD22  ASN   28   3.23 +/- 0.34  99.328% * 99.7665% (0.90  10.0   4.18 106.49) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.55 +/- 0.52   0.668% *  0.1110% (1.00   1.0   0.02   8.76) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.83 +/- 3.17   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.96 +/- 4.25   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.66, residual support = 12.9:
          QG2   VAL   24 - HD22  ASN   28   3.20 +/- 0.41  99.990% * 97.9370% (0.97   1.66  12.85) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  17.17 +/- 1.74   0.007% *  0.4579% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  20.58 +/- 2.06   0.002% *  1.0582% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  27.30 +/- 3.42   0.001% *  0.5469% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.84, residual support = 91.6:
      O   HA    GLU-  29 - HN    GLU-  29   2.71 +/- 0.01  99.684% * 99.3483% (0.84  10.0   5.84  91.60) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.13 +/- 0.50   0.072% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.50 +/- 0.18   0.222% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  13.96 +/- 3.46   0.011% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  15.15 +/- 0.51   0.003% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.19 +/- 0.66   0.005% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.96 +/- 1.01   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.83 +/- 1.45   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  20.44 +/- 2.53   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.40 +/- 2.12   0.000% *  0.1166% (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 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 34.5:
          HB2   ASN   28 - HN    GLU-  29   2.26 +/- 0.11  99.829% * 98.6733% (0.97   5.86  34.48) =  99.999%  kept
          QE    LYS+  33 - HN    GLU-  29   7.32 +/- 1.37   0.160% *  0.3130% (0.90   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  29  10.87 +/- 0.94   0.009% *  0.2117% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  15.07 +/- 3.39   0.002% *  0.3221% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  20.92 +/- 1.53   0.000% *  0.3490% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.23 +/- 0.87   0.000% *  0.1310% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.66, support = 5.68, residual support = 33.6:
          HB3   ASN   28 - HN    GLU-  29   3.59 +/- 0.15  94.194% * 48.3018% (0.65   5.76  34.48) =  93.860%  kept
          HG2   GLN   30 - HN    GLU-  29   5.80 +/- 0.28   5.803% * 51.2849% (0.87   4.56  19.29) =   6.140%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.73 +/- 2.83   0.001% *  0.2454% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  24.45 +/- 4.06   0.001% *  0.1678% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.25, residual support = 91.6:
          HG2   GLU-  29 - HN    GLU-  29   3.40 +/- 0.60  93.533% * 97.6948% (0.57   5.25  91.60) =  99.987%  kept
          QG    GLN   32 - HN    GLU-  29   6.42 +/- 0.90   6.419% *  0.1828% (0.28   0.02   0.02) =   0.013%
          HB3   ASP-  86 - HN    GLU-  29  14.85 +/- 3.32   0.034% *  0.2702% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.08 +/- 0.82   0.012% *  0.6515% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.52 +/- 1.17   0.002% *  0.5491% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  25.93 +/- 2.41   0.001% *  0.6515% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.597, support = 3.72, residual support = 7.61:
          HA    ASN   28 - HN    GLN   30   3.73 +/- 0.08  56.048% * 56.8869% (0.45   4.60   8.76) =  71.286%  kept
          HA    THR   26 - HN    GLN   30   4.15 +/- 0.28  31.266% * 41.0581% (0.97   1.54   4.76) =  28.702%  kept
          HA1   GLY  101 - HN    LYS+  99   4.99 +/- 0.66  11.973% *  0.0303% (0.05   0.02   1.41) =   0.008%
          HA    ALA   34 - HN    GLN   30   8.60 +/- 0.46   0.400% *  0.3567% (0.65   0.02   0.48) =   0.003%
          HA1   GLY  101 - HN    GLN   30  14.70 +/- 3.63   0.039% *  0.4605% (0.84   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLN   30  10.48 +/- 0.40   0.118% *  0.0851% (0.15   0.02  14.99) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.52 +/- 0.49   0.115% *  0.0234% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.45 +/- 1.67   0.021% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.60 +/- 1.31   0.001% *  0.2684% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.87 +/- 0.85   0.001% *  0.1881% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.13 +/- 0.97   0.000% *  0.5216% (0.95   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.78 +/- 1.32   0.004% *  0.0343% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.10 +/- 1.77   0.007% *  0.0176% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.27 +/- 1.19   0.003% *  0.0350% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.49 +/- 0.92   0.004% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.82 +/- 1.16   0.001% *  0.0124% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.46, residual support = 19.3:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.01  96.485% * 99.3278% (1.00  10.0   5.46  19.29) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.52 +/- 0.36   1.020% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.67 +/- 0.14   2.007% *  0.0374% (0.38   1.0   0.02   1.65) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.91 +/- 0.53   0.040% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  15.51 +/- 3.51   0.024% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  14.23 +/- 1.00   0.024% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.82 +/- 0.64   0.069% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.03 +/- 0.88   0.203% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.49 +/- 1.26   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.69 +/- 0.71   0.018% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.09 +/- 2.76   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.46 +/- 1.17   0.034% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.85 +/- 0.82   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  17.06 +/- 1.25   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.52 +/- 0.41   0.047% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.29 +/- 2.11   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.61 +/- 2.47   0.004% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.04 +/- 1.14   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  25.14 +/- 3.70   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  24.31 +/- 3.35   0.001% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.30 +/- 1.77   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.90 +/- 2.17   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.24, residual support = 154.4:
      O   HA    GLN   30 - HN    GLN   30   2.84 +/- 0.01  99.833% * 99.5516% (0.92  10.0   6.24 154.37) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.44 +/- 0.79   0.045% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.75 +/- 0.59   0.036% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  14.95 +/- 3.79   0.010% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.56 +/- 2.27   0.006% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.11 +/- 0.43   0.050% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.97 +/- 1.04   0.005% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.97 +/- 2.18   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  13.09 +/- 0.71   0.011% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.62 +/- 0.77   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.52 +/- 1.31   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  24.00 +/- 4.13   0.000% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.18 +/- 2.08   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.00 +/- 2.58   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  21.72 +/- 2.70   0.001% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  24.25 +/- 1.31   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.993, support = 6.83, residual support = 147.2:
          HG2   GLN   30 - HN    GLN   30   3.60 +/- 0.21  87.900% * 71.5361% (1.00   7.03 154.37) =  95.101%  kept
          HB3   ASN   28 - HN    GLN   30   5.08 +/- 0.07  11.487% * 28.1991% (0.90   3.08   8.76) =   4.899%  kept
          QE    LYS+ 121 - HN    LYS+  99  11.82 +/- 3.56   0.472% *  0.0097% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  14.10 +/- 5.32   0.108% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.71 +/- 2.79   0.003% *  0.1482% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.99 +/- 4.09   0.003% *  0.0766% (0.38   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.74 +/- 1.16   0.015% *  0.0134% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.18 +/- 1.78   0.013% *  0.0120% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.7, residual support = 154.4:
      O   HB3   GLN   30 - HN    GLN   30   2.70 +/- 0.58  94.872% * 98.7410% (0.69  10.0   6.70 154.37) =  99.996%  kept
          QB    LYS+  33 - HN    GLN   30   5.50 +/- 0.65   3.661% *  0.1044% (0.73   1.0   0.02   0.17) =   0.004%
          HB    ILE  103 - HN    LYS+  99   6.28 +/- 0.49   1.108% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.53 +/- 0.98   0.114% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.03 +/- 0.38   0.006% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.59 +/- 0.54   0.081% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   9.14 +/- 0.96   0.110% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  16.48 +/- 1.75   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.74 +/- 1.30   0.004% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.30 +/- 1.79   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.73 +/- 1.32   0.016% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  20.42 +/- 1.71   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.23 +/- 0.68   0.011% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.87 +/- 1.12   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  23.35 +/- 1.23   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.83 +/- 1.61   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  22.50 +/- 1.42   0.001% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.40 +/- 2.12   0.005% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.64 +/- 2.30   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  25.11 +/- 1.42   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.64 +/- 1.54   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.42 +/- 1.00   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  24.08 +/- 2.00   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  25.67 +/- 1.35   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  24.10 +/- 1.75   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.41 +/- 1.85   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 5.75, residual support = 49.8:
          HG    LEU   31 - HN    GLN   30   4.67 +/- 0.88  55.653% * 88.7946% (0.80   5.89  51.05) =  97.331%  kept
          QD2   LEU   73 - HN    GLN   30   6.38 +/- 1.02  12.915% * 10.4357% (0.92   0.60   4.89) =   2.655%  kept
          QG1   VAL   41 - HN    GLN   30   7.35 +/- 0.96   6.190% *  0.0938% (0.25   0.02   0.02) =   0.011%
          QG1   VAL   41 - HN    LYS+  99   5.53 +/- 1.00  24.146% *  0.0062% (0.02   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+  99  11.55 +/- 2.18   0.502% *  0.0198% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  10.59 +/- 0.66   0.363% *  0.0228% (0.06   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.45 +/- 1.45   0.010% *  0.3754% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  12.91 +/- 3.31   0.202% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.18 +/- 2.08   0.003% *  0.2130% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.22 +/- 1.03   0.018% *  0.0247% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.76:
          QG2   THR   26 - HN    GLN   30   4.16 +/- 0.25  92.246% * 94.2903% (0.73   2.00   4.76) =  99.991%  kept
          HB3   LEU   40 - HN    LYS+  99   6.84 +/- 1.08   7.170% *  0.0619% (0.05   0.02  11.90) =   0.005%
          HB2   LYS+  74 - HN    GLN   30  12.08 +/- 0.74   0.172% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  14.05 +/- 0.84   0.075% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    GLN   30  19.35 +/- 1.52   0.011% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  14.02 +/- 3.49   0.175% *  0.0483% (0.04   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.32 +/- 2.04   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  15.59 +/- 2.67   0.053% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  24.26 +/- 2.48   0.003% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.94 +/- 0.93   0.032% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.15 +/- 2.07   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.67 +/- 0.82   0.005% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.56 +/- 1.07   0.013% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.20 +/- 1.08   0.008% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.85 +/- 2.10   0.010% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.60 +/- 1.60   0.019% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.395, support = 6.29, residual support = 154.4:
      O   HB2   GLN   30 - HN    GLN   30   2.84 +/- 0.68  62.217% * 87.8051% (0.41  10.0   6.32 154.37) =  93.018%  kept
          HG3   GLN   30 - HN    GLN   30   3.35 +/- 0.37  37.175% * 11.0306% (0.18   1.0   5.90 154.37) =   6.982%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.23 +/- 0.33   0.581% *  0.0048% (0.02   1.0   0.02  39.97) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  14.32 +/- 1.64   0.006% *  0.1124% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  20.43 +/- 4.48   0.003% *  0.1209% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  16.43 +/- 2.05   0.002% *  0.0729% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  19.48 +/- 1.69   0.001% *  0.2061% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.24 +/- 2.06   0.000% *  0.1382% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.90 +/- 1.37   0.006% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.52 +/- 1.06   0.003% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.96 +/- 2.34   0.000% *  0.1551% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.92 +/- 2.47   0.000% *  0.0878% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.45 +/- 2.37   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.40 +/- 1.41   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.26 +/- 0.80   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.12 +/- 3.07   0.002% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.98 +/- 1.04   0.002% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.33 +/- 2.25   0.000% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.40 +/- 1.92   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.24 +/- 2.88   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.06 +/- 3.58   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.88 +/- 1.78   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.925, support = 4.86, residual support = 19.3:
          HB3   GLU-  29 - HN    GLN   30   3.88 +/- 0.36  71.339% * 43.6051% (0.90   4.60  19.29) =  66.545%  kept
          HG3   GLU-  29 - HN    GLN   30   4.78 +/- 0.85  28.049% * 55.7538% (0.98   5.38  19.29) =  33.453%  kept
          QB    GLU-  36 - HN    GLN   30   9.11 +/- 0.45   0.395% *  0.1282% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.99 +/- 1.03   0.031% *  0.1112% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.69 +/- 0.35   0.022% *  0.1282% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  11.10 +/- 0.51   0.121% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  23.51 +/- 1.47   0.001% *  0.2095% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.82 +/- 0.64   0.031% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.59 +/- 1.14   0.006% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.67 +/- 1.53   0.004% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  26.43 +/- 1.47   0.001% *  0.0138% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  24.03 +/- 1.46   0.001% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.07, residual support = 91.6:
      O   HB2   GLU-  29 - HN    GLU-  29   2.33 +/- 0.42  99.990% * 99.4303% (0.76  10.0   5.07  91.60) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.15 +/- 0.93   0.004% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  18.30 +/- 2.18   0.002% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.92 +/- 1.06   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.82 +/- 1.60   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.28 +/- 1.48   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  19.81 +/- 1.51   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.01 +/- 2.52   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.758, support = 5.3, residual support = 91.6:
      O   HB3   GLU-  29 - HN    GLU-  29   3.30 +/- 0.35  45.398% * 68.0256% (0.65  10.0   4.79  91.60) =  65.027%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.24 +/- 0.37  52.367% * 31.7160% (0.97   1.0   6.25  91.60) =  34.972%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.57 +/- 0.40   2.177% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.36 +/- 0.56   0.044% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.42 +/- 0.93   0.010% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.76 +/- 0.33   0.002% *  0.0912% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  23.20 +/- 1.43   0.000% *  0.0878% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.951, support = 2.99, residual support = 154.4:
      O   HG3   GLN   30 - HE21  GLN   30   4.11 +/- 0.13  37.402% * 85.7804% (0.99  10.0   2.73 154.37) =  79.049%  kept
          HB2   GLN   30 - HE21  GLN   30   3.75 +/- 0.64  61.930% * 13.7298% (0.80   1.0   3.96 154.37) =  20.950%  kept
          QB    GLU-  15 - HE21  GLN   30   8.95 +/- 1.14   0.409% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.62 +/- 0.89   0.137% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  13.64 +/- 1.58   0.037% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.39 +/- 2.03   0.021% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.96 +/- 0.70   0.037% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  19.57 +/- 2.74   0.015% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.55 +/- 2.40   0.003% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.64 +/- 1.82   0.008% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.15 +/- 2.52   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.37 +/- 2.11   0.001% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.339, support = 2.11, residual support = 15.0:
          QD1   ILE   19 - HE21  GLN   30   2.89 +/- 0.55  48.284% * 69.0582% (0.41   2.13  14.99) =  69.438%  kept
          QG2   ILE   19 - HE21  GLN   30   2.81 +/- 0.54  51.680% * 28.3967% (0.18   2.06  14.99) =  30.561%  kept
          QD1   LEU   98 - HE21  GLN   30  11.18 +/- 1.22   0.023% *  1.4114% (0.90   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE21  GLN   30  14.03 +/- 1.53   0.006% *  0.8910% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  12.60 +/- 1.18   0.008% *  0.2428% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.291, support = 2.18, residual support = 15.0:
          QG2   ILE   19 - HE22  GLN   30   3.15 +/- 0.49  71.769% * 28.2421% (0.18   2.13  14.99) =  51.008%  kept
          QD1   ILE   19 - HE22  GLN   30   3.74 +/- 0.53  28.085% * 69.3145% (0.41   2.23  14.99) =  48.989%  kept
          QD1   LEU   98 - HE22  GLN   30  10.64 +/- 1.20   0.097% *  1.3549% (0.90   0.02   0.02) =   0.003%
          QD2   LEU  104 - HE22  GLN   30  13.91 +/- 1.34   0.015% *  0.8553% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE22  GLN   30  12.15 +/- 1.00   0.034% *  0.2331% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.7:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.03  99.993% * 99.9819% (0.97  10.0   5.93  45.74) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.08 +/- 0.82   0.007% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 4.17, residual support = 44.2:
          QG    GLN   32 - HN    GLN   32   3.38 +/- 0.65  99.943% * 98.8431% (0.99   4.17  44.20) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.69 +/- 1.02   0.015% *  0.3827% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  14.28 +/- 1.70   0.031% *  0.1064% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.73 +/- 0.78   0.007% *  0.1329% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.86 +/- 0.97   0.002% *  0.3283% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.25 +/- 2.04   0.001% *  0.1329% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.64 +/- 1.63   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.17, residual support = 44.2:
      O   QB    GLN   32 - HN    GLN   32   2.16 +/- 0.12  99.993% * 99.6924% (0.90  10.0   4.17  44.20) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.97 +/- 0.42   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  13.78 +/- 2.04   0.003% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.07 +/- 1.63   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.53 +/- 1.06   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.723, support = 2.99, residual support = 4.91:
          HB3   GLN   30 - HN    GLN   32   5.20 +/- 0.24  37.797% * 74.1389% (0.99   2.52   1.65) =  66.218%  kept
          QB    LYS+  33 - HN    GLN   32   4.77 +/- 0.34  61.924% * 23.0837% (0.20   3.92  11.31) =  33.779%  kept
          HB3   LYS+  38 - HN    GLN   32  12.44 +/- 0.21   0.198% *  0.5333% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  17.14 +/- 1.16   0.033% *  0.2028% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.96 +/- 2.07   0.019% *  0.1835% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  21.25 +/- 4.38   0.020% *  0.1324% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  24.49 +/- 1.51   0.004% *  0.5894% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.11 +/- 1.51   0.002% *  0.4544% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.63 +/- 1.44   0.002% *  0.5333% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  25.51 +/- 1.60   0.003% *  0.1483% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.7:
          HB2   LEU   31 - HN    GLN   32   2.72 +/- 0.17  99.948% * 97.3745% (0.98   5.93  45.74) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.41 +/- 0.79   0.020% *  0.2031% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  12.28 +/- 1.68   0.016% *  0.2166% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  15.44 +/- 3.06   0.004% *  0.3341% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.49 +/- 1.24   0.005% *  0.2432% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.74 +/- 1.03   0.002% *  0.3003% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  16.84 +/- 2.12   0.002% *  0.1762% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.15 +/- 1.32   0.001% *  0.3232% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.04 +/- 4.80   0.000% *  0.2559% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  19.93 +/- 2.76   0.001% *  0.0931% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  21.94 +/- 1.69   0.000% *  0.1630% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.64 +/- 2.44   0.000% *  0.3168% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.7:
          HB3   LEU   31 - HN    GLN   32   3.84 +/- 0.16  99.543% * 98.9143% (0.98   5.93  45.74) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.99 +/- 0.59   0.365% *  0.1926% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.70 +/- 0.34   0.080% *  0.1790% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.50 +/- 2.80   0.002% *  0.3283% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.92 +/- 1.04   0.008% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  25.04 +/- 2.67   0.002% *  0.0673% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.80 +/- 2.20   0.000% *  0.2337% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.29, residual support = 11.3:
          QG    GLN   32 - HN    LYS+  33   4.16 +/- 0.49  99.951% * 98.6219% (0.84   4.29  11.31) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.75 +/- 1.08   0.029% *  0.2899% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.95 +/- 0.71   0.013% *  0.2899% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  22.15 +/- 0.94   0.005% *  0.5086% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.26 +/- 1.99   0.002% *  0.2899% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 11.3:
          QB    GLN   32 - HN    LYS+  33   2.90 +/- 0.16  99.959% * 98.4998% (1.00   4.29  11.31) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  13.07 +/- 2.09   0.019% *  0.3679% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.88 +/- 0.51   0.009% *  0.4554% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  18.11 +/- 1.77   0.002% *  0.4241% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.99 +/- 1.47   0.011% *  0.0709% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.49 +/- 1.39   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.82 +/- 2.64   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.73, residual support = 149.8:
      O   QB    LYS+  33 - HN    LYS+  33   2.38 +/- 0.30  98.991% * 99.1015% (0.97  10.0   5.73 149.82) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.29 +/- 0.30   0.993% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  11.00 +/- 0.20   0.013% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.77 +/- 1.02   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.99 +/- 1.38   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.78 +/- 1.38   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.39 +/- 1.61   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.61 +/- 1.99   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  27.27 +/- 1.55   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.31 +/- 1.31   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.06 +/- 2.05   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  25.73 +/- 1.38   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  27.27 +/- 4.32   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  27.13 +/- 1.47   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.87 +/- 1.65   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 149.8:
          HG2   LYS+  33 - HN    LYS+  33   3.38 +/- 0.42  99.994% * 98.5800% (0.61   4.32 149.82) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  20.25 +/- 1.41   0.003% *  0.6942% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  20.21 +/- 1.50   0.003% *  0.7258% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.36, residual support = 145.1:
          HG3   LYS+  33 - HN    LYS+  33   2.90 +/- 1.13  87.466% * 75.9676% (0.38   5.47 149.82) =  96.844%  kept
          HB2   LEU   31 - HN    LYS+  33   4.94 +/- 0.12  12.252% * 17.6648% (0.25   1.92   0.55) =   3.154%  kept
          HB3   LEU   73 - HN    LYS+  33  10.30 +/- 0.62   0.140% *  0.3891% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.78 +/- 1.31   0.046% *  0.6416% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  33  12.12 +/- 0.71   0.052% *  0.3316% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  18.39 +/- 2.13   0.006% *  0.6997% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.04 +/- 0.97   0.009% *  0.4486% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  17.47 +/- 1.51   0.007% *  0.4187% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  17.22 +/- 3.16   0.011% *  0.2776% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  20.00 +/- 1.17   0.003% *  0.5652% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.64 +/- 1.65   0.002% *  0.7138% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.92 +/- 5.02   0.002% *  0.5652% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.58 +/- 1.29   0.003% *  0.3600% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.17 +/- 1.46   0.002% *  0.3316% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.92 +/- 1.42   0.000% *  0.4785% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  30.25 +/- 2.43   0.000% *  0.1464% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.554, residual support = 0.554:
          QD2   LEU   31 - HN    LYS+  33   4.96 +/- 0.10  99.647% * 90.2505% (0.65   0.55   0.55) =  99.981%  kept
          QG2   VAL   83 - HN    LYS+  33  14.17 +/- 2.98   0.288% *  4.9885% (0.99   0.02   0.02) =   0.016%
          QD1   ILE   89 - HN    LYS+  33  17.89 +/- 2.78   0.065% *  4.7610% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.62 A violated in 0 structures by 0.34 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.766, support = 2.01, residual support = 3.02:
          HA    LYS+  33 - HN    ASN   35   3.73 +/- 0.11  44.094% * 65.9833% (0.98   1.89   1.51) =  64.568%  kept
          HA    GLN   32 - HN    ASN   35   3.61 +/- 0.14  53.570% * 29.7944% (0.38   2.23   5.78) =  35.420%  kept
          HA    GLU-  29 - HN    ASN   35   8.10 +/- 0.27   0.425% *  0.7120% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.42 +/- 0.44   1.858% *  0.1101% (0.15   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ASN   35  12.10 +/- 0.98   0.044% *  0.5453% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  16.14 +/- 0.71   0.007% *  0.7072% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  22.48 +/- 3.99   0.001% *  0.6886% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  27.10 +/- 2.60   0.000% *  0.5453% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  26.21 +/- 3.50   0.000% *  0.2933% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.74 +/- 1.02   0.000% *  0.4616% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.98 +/- 1.67   0.000% *  0.1589% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 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  97.197% * 98.5307% (0.97   3.97  52.06) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.92 +/- 0.28   2.772% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  25.28 +/- 6.09   0.014% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  24.18 +/- 2.36   0.008% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  29.47 +/- 1.77   0.002% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.79 +/- 1.48   0.006% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.83 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.312, support = 5.87, residual support = 55.2:
      O   HB2   ASN   35 - HN    ASN   35   2.58 +/- 0.54  98.654% * 70.7054% (0.31  10.0   5.88  55.52) =  99.472%  kept
          QE    LYS+  33 - HN    ASN   35   6.47 +/- 0.76   1.300% * 28.4721% (1.00   1.0   2.49   1.51) =   0.528%  kept
          HB2   ASN   28 - HN    ASN   35  10.50 +/- 0.37   0.038% *  0.2211% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  14.79 +/- 1.30   0.006% *  0.0401% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  20.66 +/- 4.68   0.001% *  0.1482% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.35 +/- 1.28   0.000% *  0.1987% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.17 +/- 1.07   0.001% *  0.0571% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.75 +/- 1.09   0.000% *  0.1574% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.33, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.93 +/- 0.05  98.914% * 98.0070% (0.92   3.33  18.79) =  99.997%  kept
          HG3   LYS+  38 - HN    ASN   35   7.40 +/- 0.63   0.435% *  0.3610% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   7.17 +/- 0.64   0.642% *  0.1968% (0.31   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ASN   35  14.88 +/- 0.88   0.006% *  0.6250% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.88 +/- 1.38   0.001% *  0.4873% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.27 +/- 0.80   0.002% *  0.1262% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.07 +/- 1.41   0.001% *  0.1968% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.87, residual support = 106.5:
      O   HB2   ASN   28 - HD21  ASN   28   3.95 +/- 0.29  98.504% * 99.6076% (0.97  10.0   3.87 106.49) =  99.999%  kept
          HB2   ASP-  86 - HD21  ASN   28  10.39 +/- 3.96   1.130% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  11.16 +/- 1.34   0.235% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.83 +/- 1.20   0.096% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.56 +/- 1.01   0.032% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.29 +/- 1.51   0.004% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 106.5:
      O   HB3   ASN   28 - HD21  ASN   28   3.81 +/- 0.25  99.117% * 99.7665% (0.90  10.0   3.60 106.49) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   8.45 +/- 0.71   0.876% *  0.1110% (1.00   1.0   0.02   8.76) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  22.32 +/- 3.26   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  23.59 +/- 4.35   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.84, residual support = 12.9:
          QG2   VAL   24 - HD21  ASN   28   2.25 +/- 0.64  99.993% * 96.8731% (0.76   1.84  12.85) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.59 +/- 2.27   0.005% *  0.3442% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  21.06 +/- 2.37   0.001% *  1.2378% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  18.89 +/- 2.52   0.001% *  0.2130% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  27.33 +/- 3.68   0.000% *  1.3320% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.33, residual support = 51.9:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.02  99.992% * 99.7755% (1.00  10.0   5.33  51.90) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.50 +/- 1.72   0.005% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.66 +/- 1.47   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.60 +/- 1.20   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 5.55, residual support = 12.9:
          HA    VAL   24 - HN    ASN   28   3.91 +/- 0.22  99.959% * 99.4454% (0.92   5.55  12.85) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.42 +/- 0.28   0.028% *  0.1596% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  18.74 +/- 1.23   0.010% *  0.1596% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  22.44 +/- 0.95   0.003% *  0.2355% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 51.9:
          HB2   TRP   27 - HN    ASN   28   2.90 +/- 0.32  99.978% * 99.2749% (0.80   5.59  51.90) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  12.44 +/- 0.70   0.021% *  0.3702% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  20.53 +/- 1.44   0.001% *  0.3549% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.96, residual support = 106.5:
      O   HB2   ASN   28 - HN    ASN   28   2.67 +/- 0.12  99.868% * 99.6076% (0.97  10.0   6.96 106.49) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.05 +/- 1.25   0.094% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  12.67 +/- 3.58   0.021% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  12.03 +/- 1.08   0.014% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.06 +/- 0.86   0.002% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.25 +/- 1.47   0.001% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 106.5:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  95.974% * 99.7665% (0.90  10.0   6.60 106.49) =  99.995%  kept
          HG2   GLN   30 - HN    ASN   28   6.11 +/- 0.43   4.022% *  0.1110% (1.00   1.0   0.02   8.76) =   0.005%
          QE    LYS+ 121 - HN    ASN   28  22.66 +/- 2.95   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.44 +/- 4.04   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.466, support = 2.48, residual support = 22.3:
          HG3   GLU-  29 - HN    ASN   28   5.50 +/- 0.36  52.225% * 56.9350% (0.20   3.68  34.48) =  61.579%  kept
          HB2   GLU-  25 - HN    ASN   28   5.58 +/- 0.21  47.264% * 39.2440% (0.90   0.56   2.74) =  38.413%  kept
          HB2   MET   96 - HN    ASN   28  13.08 +/- 1.29   0.323% *  0.4829% (0.31   0.02   0.02) =   0.003%
          QG    GLN   17 - HN    ASN   28  15.93 +/- 1.45   0.100% *  1.2529% (0.80   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    ASN   28  17.89 +/- 1.08   0.045% *  1.1362% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.78 +/- 0.27   0.044% *  0.9490% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 0.473, support = 3.3, residual support = 12.9:
          QG2   VAL   24 - HN    ASN   28   3.66 +/- 0.16  83.457% * 51.1288% (0.45   3.47  12.85) =  84.390%  kept
          QG1   VAL   24 - HN    ASN   28   4.94 +/- 0.44  16.532% * 47.7407% (0.61   2.39  12.85) =  15.610%  kept
          QG1   VAL  107 - HN    ASN   28  17.99 +/- 1.53   0.007% *  0.6073% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.87 +/- 1.97   0.003% *  0.2030% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.66 +/- 2.88   0.000% *  0.3202% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.477, support = 2.58, residual support = 1.08:
          QD2   LEU   80 - HN    ASN   28   6.19 +/- 2.31  34.453% * 48.8580% (0.45   2.88   1.54) =  53.198%  kept
          QD1   LEU   73 - HN    ASN   28   5.55 +/- 0.90  44.868% * 19.0945% (0.15   3.27   0.85) =  27.075%  kept
          QG1   VAL   83 - HN    ASN   28   7.17 +/- 2.96  20.348% * 30.6702% (1.00   0.81   0.17) =  19.723%  kept
          QG2   ILE   89 - HN    ASN   28  13.23 +/- 1.16   0.179% *  0.4288% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.29 +/- 1.86   0.074% *  0.5203% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.04 +/- 1.86   0.061% *  0.1169% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  20.53 +/- 2.37   0.016% *  0.3114% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.01, residual support = 23.2:
          HA    VAL   24 - HN    TRP   27   3.08 +/- 0.09  99.982% * 99.0178% (0.99   3.01  23.20) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.82 +/- 0.34   0.004% *  0.4813% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.46 +/- 1.10   0.007% *  0.0812% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  17.05 +/- 1.18   0.004% *  0.1161% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.75 +/- 0.87   0.001% *  0.2046% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.64 +/- 1.66   0.002% *  0.0143% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  28.46 +/- 1.67   0.000% *  0.0595% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  27.86 +/- 2.05   0.000% *  0.0253% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.41, residual support = 101.9:
      O   HB2   TRP   27 - HN    TRP   27   2.15 +/- 0.13  99.844% * 99.8160% (0.99  10.0   5.41 101.93) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.28 +/- 0.66   0.095% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.82 +/- 0.80   0.055% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.19 +/- 0.59   0.006% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  19.50 +/- 1.45   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.37 +/- 1.05   0.001% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 101.9:
      O   HB3   TRP   27 - HN    TRP   27   2.90 +/- 0.26  99.967% * 99.6559% (0.99  10.0   5.64 101.93) = 100.000%  kept
          HB3   PHE   60 - HN    TRP   27  16.63 +/- 1.70   0.005% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  18.33 +/- 1.24   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.69 +/- 0.95   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.92 +/- 2.07   0.002% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.11 +/- 1.16   0.004% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.83 +/- 0.52   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  15.86 +/- 2.19   0.005% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.53 +/- 1.82   0.006% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.93 +/- 1.83   0.001% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.32 +/- 1.12   0.001% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.61 +/- 1.75   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  22.68 +/- 2.45   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.71 +/- 1.69   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.749, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   2.83 +/- 0.64  99.976% * 96.3495% (0.53   0.75   1.50) = 100.000%  kept
          HG2   MET   96 - HN    TRP   27  15.27 +/- 1.39   0.010% *  2.9661% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ALA   91  15.12 +/- 1.61   0.009% *  0.3665% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  17.69 +/- 1.18   0.005% *  0.3179% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.47, residual support = 22.4:
          QG2   THR   26 - HN    TRP   27   3.55 +/- 0.22  99.531% * 97.6009% (0.98   4.47  22.36) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27   9.84 +/- 0.88   0.295% *  0.3566% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.42 +/- 0.78   0.063% *  0.0780% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  19.26 +/- 1.55   0.005% *  0.4443% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.86 +/- 0.86   0.010% *  0.0881% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.53 +/- 1.13   0.017% *  0.0441% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.27 +/- 0.79   0.002% *  0.3403% (0.76   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  20.03 +/- 2.12   0.004% *  0.1238% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  25.09 +/- 2.58   0.001% *  0.4443% (1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.55 +/- 0.78   0.007% *  0.0539% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.92 +/- 1.58   0.036% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  15.94 +/- 2.04   0.021% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  25.01 +/- 2.37   0.001% *  0.1238% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.61 +/- 1.67   0.001% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.79 +/- 2.32   0.001% *  0.0881% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.75 +/- 1.58   0.001% *  0.0549% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  24.13 +/- 1.54   0.001% *  0.0420% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.04 +/- 1.91   0.002% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.78 +/- 1.66   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.66 +/- 1.51   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.871, support = 3.07, residual support = 13.4:
          QD2   LEU   80 - HN    TRP   27   4.99 +/- 2.30  58.614% * 39.5484% (0.76   2.88   7.82) =  54.418%  kept
          QD1   LEU   73 - HN    TRP   27   5.24 +/- 0.82  32.862% * 59.0718% (1.00   3.29  20.11) =  45.571%  kept
          QG1   VAL   83 - HN    TRP   27   7.22 +/- 2.66   6.344% *  0.0555% (0.15   0.02   1.62) =   0.008%
          QG2   VAL   41 - HN    TRP   27   8.83 +/- 0.82   0.952% *  0.0487% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   91  10.80 +/- 1.42   0.692% *  0.0340% (0.09   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  15.29 +/- 1.77   0.041% *  0.3589% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.45 +/- 1.51   0.023% *  0.2181% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.93 +/- 1.78   0.027% *  0.1892% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  19.70 +/- 2.31   0.009% *  0.2880% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.84 +/- 0.82   0.280% *  0.0069% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  15.02 +/- 1.98   0.040% *  0.0443% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.20 +/- 1.09   0.033% *  0.0443% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  15.41 +/- 1.62   0.040% *  0.0356% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  17.14 +/- 1.70   0.017% *  0.0270% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  19.86 +/- 1.85   0.008% *  0.0234% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.50 +/- 1.54   0.019% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 1.13:
          QG2   VAL   75 - HN    TRP   27   6.13 +/- 1.26  84.283% * 43.3149% (0.95   0.02   1.18) =  95.857%  kept
          QG2   VAL   42 - HN    TRP   27  12.35 +/- 0.80   1.824% * 45.6877% (1.00   0.02   0.02) =   2.188%  kept
          QG2   VAL   75 - HN    ALA   91   9.92 +/- 1.40  13.538% *  5.3521% (0.12   0.02   0.02) =   1.902%  kept
          QG2   VAL   42 - HN    ALA   91  16.05 +/- 1.05   0.356% *  5.6453% (0.12   0.02   0.02) =   0.053%
    Distance limit 4.49 A violated in 14 structures by 1.40 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.0199, residual support = 101.3:
          HA    TRP   27 - HE1   TRP   27   6.16 +/- 0.31  99.272% * 30.5528% (1.00   0.02 101.93) =  99.357%  kept
          HA    ALA   91 - HE1   TRP   27  15.96 +/- 1.57   0.448% * 28.9660% (0.95   0.02   0.02) =   0.425%
          HA    VAL  107 - HE1   TRP   27  17.48 +/- 1.33   0.233% * 25.5766% (0.84   0.02   0.02) =   0.196%
          HA    PRO   52 - HE1   TRP   27  22.67 +/- 1.34   0.046% * 14.9047% (0.49   0.02   0.02) =   0.022%
    Distance limit 4.85 A violated in 17 structures by 1.30 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 1.54, residual support = 13.2:
          QD1   LEU   73 - HE1   TRP   27   5.70 +/- 1.05  30.076% * 46.1890% (0.87   1.84  20.11) =  55.089%  kept
          QD2   LEU   80 - HE1   TRP   27   6.28 +/- 2.46  13.914% * 42.2899% (0.99   1.48   7.82) =  23.334%  kept
          QG1   VAL   83 - HE1   TRP   27   5.68 +/- 3.72  55.606% *  9.7816% (0.41   0.82   1.62) =  21.569%  kept
          QD1   LEU  104 - HE1   TRP   27  13.75 +/- 2.08   0.163% *  0.5012% (0.87   0.02   0.02) =   0.003%
          QD1   LEU   63 - HE1   TRP   27  14.00 +/- 2.01   0.122% *  0.5012% (0.87   0.02   0.02) =   0.002%
          QD2   LEU  115 - HE1   TRP   27  18.01 +/- 2.26   0.051% *  0.5765% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  15.17 +/- 1.90   0.067% *  0.1606% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.685, support = 1.38, residual support = 10.9:
          QG2   VAL   43 - HE1   TRP   27   4.43 +/- 1.12  48.107% * 56.9569% (0.99   0.84   6.83) =  55.091%  kept
          QD2   LEU   31 - HE1   TRP   27   4.26 +/- 0.87  51.893% * 43.0431% (0.31   2.04  15.85) =  44.909%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.44, residual support = 28.5:
          HB2   GLU-  25 - HN    THR   26   2.63 +/- 0.16  98.486% * 98.9300% (0.90   5.44  28.55) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.38 +/- 0.53   1.507% *  0.0802% (0.20   0.02   1.51) =   0.001%
          QG    GLN   17 - HN    THR   26  15.25 +/- 1.33   0.003% *  0.3245% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.89 +/- 1.29   0.003% *  0.1251% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.59 +/- 0.90   0.001% *  0.2943% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.67 +/- 0.35   0.000% *  0.2458% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 28.5:
          HB3   GLU-  25 - HN    THR   26   3.21 +/- 0.13  98.079% * 95.5003% (0.57   5.26  28.55) =  99.991%  kept
          HG3   GLN   30 - HN    THR   26   7.02 +/- 0.69   1.089% *  0.5358% (0.84   0.02   4.76) =   0.006%
          HB2   GLN   30 - HN    THR   26   7.60 +/- 0.88   0.741% *  0.3375% (0.53   0.02   4.76) =   0.003%
          HB    ILE   19 - HN    THR   26  10.82 +/- 0.66   0.074% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.64 +/- 0.88   0.006% *  0.4902% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.73 +/- 0.56   0.005% *  0.4902% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  22.85 +/- 1.73   0.001% *  0.6400% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  22.13 +/- 2.02   0.001% *  0.3891% (0.61   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.41 +/- 2.36   0.001% *  0.1980% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.69 +/- 2.44   0.000% *  0.5358% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.91 +/- 2.31   0.000% *  0.3375% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.36 +/- 3.05   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.66 +/- 1.27   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.14 +/- 0.97   0.001% *  0.0990% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.2:
          QG2   THR   26 - HN    THR   26   3.64 +/- 0.04  99.841% * 98.0840% (0.95   4.46  35.16) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  11.18 +/- 0.99   0.147% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    THR   26  20.68 +/- 1.61   0.003% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.04 +/- 0.80   0.005% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.90 +/- 0.81   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.41 +/- 2.56   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.63 +/- 1.77   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  26.22 +/- 2.16   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.576, support = 0.0198, residual support = 0.0198:
          HB3   LEU   80 - HN    THR   26   9.11 +/- 2.17  56.073% *  8.4695% (0.53   0.02   0.02) =  52.158%  kept
          HB2   LEU   31 - HN    THR   26   9.81 +/- 0.17  27.627% * 11.0578% (0.69   0.02   0.02) =  33.551%  kept
          QG2   THR   77 - HN    THR   26  11.56 +/- 0.77  11.602% *  7.8357% (0.49   0.02   0.02) =   9.984%  kept
          QB    ALA   88 - HN    THR   26  17.30 +/- 1.48   0.931% * 13.9639% (0.87   0.02   0.02) =   1.427%  kept
          HB3   ASP-  44 - HN    THR   26  15.01 +/- 1.23   2.582% *  4.9686% (0.31   0.02   0.02) =   1.409%  kept
          HG2   LYS+  38 - HN    THR   26  20.22 +/- 0.51   0.354% * 16.0623% (1.00   0.02   0.02) =   0.624%  kept
          HG2   LYS+  99 - HN    THR   26  21.71 +/- 1.29   0.251% * 15.5357% (0.97   0.02   0.02) =   0.428%
          HB2   LEU   63 - HN    THR   26  20.14 +/- 1.27   0.433% *  6.6181% (0.41   0.02   0.02) =   0.314%
          HG2   LYS+ 111 - HN    THR   26  28.89 +/- 2.40   0.051% * 12.3026% (0.76   0.02   0.02) =   0.069%
          QB    ALA  124 - HN    THR   26  26.91 +/- 3.63   0.098% *  3.1858% (0.20   0.02   0.02) =   0.034%
    Distance limit 4.55 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 = 5.66, residual support = 35.2:
      O   HA    VAL   24 - HN    GLU-  25   3.58 +/- 0.02  99.993% * 99.8455% (0.92  10.0   5.66  35.16) = 100.000%  kept
          HA    ALA   61 - HN    GLU-  25  20.14 +/- 1.19   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  20.09 +/- 0.26   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.59 +/- 0.83   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 6.05, residual support = 127.2:
      O   HB2   GLU-  25 - HN    GLU-  25   2.82 +/- 0.43  99.279% * 99.5608% (0.61  10.0   6.05 127.25) = 100.000%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.13 +/- 0.70   0.484% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.33 +/- 0.64   0.232% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.44 +/- 1.29   0.002% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.39 +/- 0.25   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  19.02 +/- 1.36   0.001% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.36 +/- 0.99   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 127.2:
      O   HB3   GLU-  25 - HN    GLU-  25   2.63 +/- 0.72  99.743% * 98.7761% (0.57  10.0   5.88 127.25) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.53 +/- 0.61   0.113% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.60 +/- 0.91   0.120% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.08 +/- 0.68   0.017% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.98 +/- 0.92   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.06 +/- 0.49   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  23.17 +/- 2.07   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.12 +/- 1.65   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.07 +/- 2.52   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.63 +/- 2.75   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.72 +/- 1.63   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  27.78 +/- 2.49   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.40 +/- 3.20   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.33 +/- 0.86   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.28, residual support = 6.39:
          QG2   THR   23 - HN    GLU-  25   3.16 +/- 1.11  99.725% * 98.6221% (0.73   3.28   6.39) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  10.70 +/- 0.94   0.178% *  0.6009% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.44 +/- 0.25   0.069% *  0.3106% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.54 +/- 1.45   0.021% *  0.2823% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.98 +/- 2.46   0.007% *  0.1842% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.62, residual support = 35.2:
          QG2   VAL   24 - HN    GLU-  25   3.23 +/- 0.61  99.995% * 99.2470% (0.97   4.62  35.16) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  19.82 +/- 1.81   0.004% *  0.1671% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  23.15 +/- 1.95   0.001% *  0.3863% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  28.95 +/- 3.86   0.000% *  0.1996% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.3, residual support = 127.2:
          HG2   GLU-  25 - HN    GLU-  25   3.61 +/- 0.40  99.967% * 99.4337% (0.97   5.30 127.25) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.58 +/- 2.01   0.028% *  0.1200% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.71 +/- 1.34   0.005% *  0.1893% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.00 +/- 2.30   0.000% *  0.1599% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  30.88 +/- 2.26   0.000% *  0.0970% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 65.3:
      O   HA    VAL   24 - HN    VAL   24   2.81 +/- 0.02  99.998% * 99.8455% (0.92  10.0   4.34  65.32) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  18.83 +/- 1.26   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.99 +/- 0.38   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  25.14 +/- 0.93   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 65.3:
      O   HB    VAL   24 - HN    VAL   24   2.35 +/- 0.29  99.461% * 99.7135% (0.95  10.0   4.68  65.32) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.19 +/- 0.98   0.532% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.08 +/- 0.41   0.007% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.46 +/- 1.80   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  24.97 +/- 1.48   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.9:
          QG2   THR   23 - HN    VAL   24   3.32 +/- 0.78  99.224% * 99.1625% (0.73   5.43  25.90) =  99.997%  kept
          QG2   THR   77 - HN    VAL   24   8.66 +/- 0.91   0.678% *  0.3652% (0.73   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    VAL   24  13.06 +/- 0.31   0.047% *  0.1888% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.02 +/- 1.39   0.038% *  0.1716% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  17.24 +/- 2.58   0.013% *  0.1120% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.852, support = 4.16, residual support = 65.3:
          QG1   VAL   24 - HN    VAL   24   2.41 +/- 0.60  80.409% * 77.1705% (0.90   4.09  65.32) =  93.535%  kept
          QG2   VAL   24 - HN    VAL   24   3.51 +/- 0.26  19.586% * 21.8981% (0.20   5.26  65.32) =   6.465%  kept
          HB3   LEU   31 - HN    VAL   24  12.81 +/- 0.26   0.005% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.50 +/- 1.92   0.001% *  0.4173% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  27.72 +/- 3.50   0.000% *  0.3371% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  24.66 +/- 2.56   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.759, support = 2.94, residual support = 8.92:
          QD2   LEU   80 - HN    VAL   24   3.09 +/- 1.70  86.783% * 87.5596% (0.76   2.95   9.00) =  99.077%  kept
          QG1   VAL   83 - HN    VAL   24   5.20 +/- 2.09   7.155% *  9.2858% (0.15   1.55   1.12) =   0.866%  kept
          QD1   LEU   73 - HN    VAL   24   8.33 +/- 0.87   5.441% *  0.7744% (1.00   0.02   0.02) =   0.055%
          QD1   LEU   63 - HN    VAL   24  16.76 +/- 1.88   0.104% *  0.7744% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.66 +/- 0.80   0.433% *  0.1050% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    VAL   24  18.28 +/- 1.58   0.045% *  0.4708% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  20.46 +/- 2.56   0.023% *  0.6215% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.34 +/- 2.03   0.015% *  0.4084% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 2 structures by 0.38 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.17, residual support = 21.3:
          HB2   HIS   22 - HN    THR   23   4.51 +/- 0.05  99.976% * 99.6225% (0.99   5.17  21.33) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  19.88 +/- 0.96   0.014% *  0.3249% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  22.35 +/- 2.87   0.010% *  0.0526% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.77, residual support = 21.3:
          HB3   HIS   22 - HN    THR   23   4.44 +/- 0.05  99.948% * 99.7245% (0.76   5.77  21.33) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  20.92 +/- 3.64   0.027% *  0.1860% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  17.92 +/- 1.01   0.024% *  0.0895% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.09, residual support = 4.84:
          HB3   CYS   21 - HN    THR   23   4.16 +/- 0.31 100.000% *100.0000% (1.00   2.09   4.84) = 100.000%  kept
    Distance limit 4.47 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 = 0.725, support = 1.93, residual support = 13.6:
          QG2   THR   26 - HN    THR   23   4.62 +/- 0.14  92.867% * 94.5092% (0.73   1.93  13.66) =  99.897%  kept
          HB2   LYS+  74 - HN    THR   23   7.63 +/- 1.03   7.060% *  1.2727% (0.95   0.02   0.02) =   0.102%
          HG2   LYS+  65 - HN    THR   23  17.98 +/- 1.62   0.031% *  0.8703% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.31 +/- 0.89   0.018% *  0.9769% (0.73   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.24 +/- 2.04   0.007% *  0.6549% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.91 +/- 1.46   0.005% *  0.6549% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.87 +/- 2.27   0.004% *  0.7617% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  21.89 +/- 0.85   0.009% *  0.2995% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.75, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.09 +/- 0.59  99.659% * 97.7014% (0.41   4.75  19.06) =  99.997%  kept
          QG2   THR   77 - HN    THR   23   9.01 +/- 0.67   0.299% *  0.9655% (0.97   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    THR   23  16.25 +/- 1.32   0.008% *  0.6472% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.68 +/- 0.28   0.032% *  0.1544% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.44 +/- 0.41   0.001% *  0.3088% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.64 +/- 1.18   0.001% *  0.2227% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.336, support = 2.17, residual support = 7.35:
          QD1   LEU   80 - HN    THR   23   4.31 +/- 2.49  52.929% * 44.4912% (0.45   1.28   7.37) =  55.350%  kept
          QD2   LEU   80 - HN    THR   23   4.31 +/- 1.78  37.612% * 50.2987% (0.20   3.29   7.37) =  44.466%  kept
          QD1   LEU   73 - HN    THR   23   7.30 +/- 0.70   8.453% *  0.8139% (0.53   0.02   0.02) =   0.162%
          QG2   VAL   41 - HN    THR   23  11.55 +/- 0.79   0.482% *  1.0007% (0.65   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    THR   23  15.06 +/- 1.66   0.194% *  0.8139% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    THR   23  13.43 +/- 1.48   0.215% *  0.6936% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    THR   23  16.52 +/- 1.30   0.083% *  1.5435% (1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    THR   23  18.95 +/- 2.14   0.031% *  0.3444% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 2 structures by 0.51 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.3:
      O   HB3   HIS   22 - HN    HIS   22   3.02 +/- 0.40  99.998% * 99.9260% (0.98  10.0   3.46  34.25) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  22.35 +/- 3.77   0.002% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.263, support = 6.47, residual support = 158.7:
          HG3   ARG+  54 - HN    ARG+  54   3.53 +/- 0.47  81.876% * 94.9737% (0.26   6.48 159.00) =  99.841%  kept
          QB    ALA   57 - HN    ARG+  54   5.16 +/- 0.86  14.620% *  0.8054% (0.72   0.02   0.02) =   0.151%
          QB    ALA   57 - HN    ASP-  62   6.26 +/- 0.29   3.061% *  0.1507% (0.14   0.02   0.02) =   0.006%
          HD3   LYS+ 111 - HN    ARG+  54  13.59 +/- 2.41   0.088% *  0.8439% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ARG+  54  12.25 +/- 1.42   0.069% *  0.4725% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.11 +/- 1.10   0.213% *  0.0884% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.31 +/- 1.60   0.034% *  0.1933% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.50 +/- 1.44   0.001% *  1.0330% (0.93   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  14.14 +/- 1.48   0.026% *  0.0548% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.76 +/- 1.92   0.008% *  0.1579% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.55 +/- 1.22   0.003% *  0.1933% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.89 +/- 1.12   0.001% *  1.0330% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 3.34, residual support = 27.7:
      O   HB2   CYS   21 - HN    CYS   21   2.76 +/- 0.48  99.929% * 99.8975% (0.90  10.0   3.34  27.73) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.80 +/- 0.49   0.029% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.46 +/- 1.21   0.034% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.57 +/- 1.45   0.006% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.74 +/- 2.20   0.001% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.97 +/- 1.69   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.35, residual support = 27.7:
      O   HB3   CYS   21 - HN    CYS   21   3.31 +/- 0.47  99.956% * 99.8170% (0.53  10.0   3.35  27.73) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  15.18 +/- 1.09   0.015% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  14.07 +/- 2.37   0.027% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.58 +/- 1.78   0.001% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.0195, residual support = 0.0195:
          HG    LEU  123 - HN    ILE  119   7.15 +/- 0.98  45.187% *  3.5886% (0.32   0.02   0.02) =  58.949%  kept
          QB    LYS+  66 - HN    ILE  119   8.41 +/- 1.27  18.879% *  2.1815% (0.19   0.02   0.02) =  14.971%  kept
          HB3   ASP- 105 - HN    ILE  119   8.67 +/- 2.65  24.482% *  1.1101% (0.10   0.02   0.02) =   9.879%  kept
          HB    VAL   41 - HN    CYS   21  12.49 +/- 1.41   1.938% *  9.1141% (0.80   0.02   0.02) =   6.422%  kept
          QB    LYS+  33 - HN    CYS   21  10.72 +/- 0.62   3.459% *  2.5341% (0.22   0.02   0.02) =   3.187%  kept
          HB3   PRO   52 - HN    ILE  119  14.93 +/- 2.31   1.028% *  3.5886% (0.32   0.02   0.02) =   1.341%  kept
          QB    LYS+  66 - HN    CYS   21  16.17 +/- 0.65   0.287% *  6.9036% (0.61   0.02   0.02) =   0.720%  kept
          HG12  ILE  103 - HN    CYS   21  18.22 +/- 1.86   0.172% * 10.5070% (0.92   0.02   0.02) =   0.657%  kept
          HG2   PRO   93 - HN    CYS   21  16.38 +/- 1.83   0.464% *  3.8825% (0.34   0.02   0.02) =   0.656%  kept
          HG2   PRO   93 - HN    ILE  119  13.40 +/- 2.40   1.377% *  1.2268% (0.11   0.02   0.02) =   0.614%  kept
          HG12  ILE  103 - HN    ILE  119  16.76 +/- 2.86   0.316% *  3.3201% (0.29   0.02   0.02) =   0.381%
          HG2   ARG+  54 - HN    CYS   21  18.46 +/- 2.62   0.243% *  3.8825% (0.34   0.02   0.02) =   0.343%
          HB3   PRO   52 - HN    CYS   21  19.97 +/- 1.10   0.081% * 11.3569% (1.00   0.02   0.02) =   0.335%
          HG3   PRO   68 - HN    ILE  119  15.46 +/- 1.69   0.464% *  1.4786% (0.13   0.02   0.02) =   0.249%
          HB    VAL   41 - HN    ILE  119  17.47 +/- 2.31   0.231% *  2.8799% (0.25   0.02   0.02) =   0.242%
          HG3   PRO   68 - HN    CYS   21  18.85 +/- 0.94   0.122% *  4.6793% (0.41   0.02   0.02) =   0.207%
          HB    ILE  103 - HN    ILE  119  16.52 +/- 2.64   0.326% *  1.3499% (0.12   0.02   0.02) =   0.160%
          HB3   ASP- 105 - HN    CYS   21  19.70 +/- 1.45   0.103% *  3.5131% (0.31   0.02   0.02) =   0.131%
          HB    ILE  103 - HN    CYS   21  20.32 +/- 1.40   0.081% *  4.2718% (0.38   0.02   0.02) =   0.126%
          HG    LEU  123 - HN    CYS   21  24.23 +/- 2.58   0.030% * 11.3569% (1.00   0.02   0.02) =   0.126%
          HG2   ARG+  54 - HN    ILE  119  17.64 +/- 1.25   0.187% *  1.2268% (0.11   0.02   0.02) =   0.083%
          QB    LYS+ 102 - HN    CYS   21  19.57 +/- 1.04   0.096% *  1.9934% (0.18   0.02   0.02) =   0.070%
          HB3   GLN   90 - HN    CYS   21  19.70 +/- 0.94   0.093% *  1.9934% (0.18   0.02   0.02) =   0.067%
          QB    LYS+ 102 - HN    ILE  119  16.71 +/- 2.18   0.277% *  0.6299% (0.06   0.02   0.02) =   0.063%
          QB    LYS+  33 - HN    ILE  119  22.45 +/- 2.09   0.044% *  0.8007% (0.07   0.02   0.02) =   0.013%
          HB3   GLN   90 - HN    ILE  119  23.79 +/- 1.85   0.033% *  0.6299% (0.06   0.02   0.02) =   0.008%
    Distance limit 3.60 A violated in 20 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.637, support = 4.89, residual support = 95.4:
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.04  54.031% * 56.5574% (0.80   3.75  15.55) =  66.708%  kept
          HG13  ILE  119 - HN    ILE  119   3.87 +/- 0.81  36.453% * 41.8290% (0.31   7.17 255.48) =  33.285%  kept
          QG2   VAL  107 - HN    ILE  119   5.55 +/- 1.20   7.953% *  0.0265% (0.07   0.02   0.40) =   0.005%
          QG1   VAL   24 - HN    CYS   21   8.04 +/- 0.54   0.464% *  0.1162% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.28 +/- 0.46   0.811% *  0.0489% (0.13   0.02   1.84) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.23 +/- 0.45   0.036% *  0.3634% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.88 +/- 1.51   0.232% *  0.0489% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.88 +/- 2.08   0.004% *  0.3691% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.51 +/- 0.88   0.009% *  0.0838% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.37 +/- 1.08   0.003% *  0.0953% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.36 +/- 2.58   0.001% *  0.1548% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.80 +/- 2.20   0.001% *  0.1148% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.63 +/- 1.63   0.001% *  0.1548% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.42 +/- 2.38   0.002% *  0.0367% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.522, support = 1.89, residual support = 6.72:
          QD2   LEU   73 - HN    CYS   21   5.06 +/- 0.48  45.075% * 76.7422% (0.57   2.04   7.65) =  87.445%  kept
          QD1   ILE   19 - HN    CYS   21   5.35 +/- 0.73  35.956% * 13.1190% (0.22   0.89   0.29) =  11.925%  kept
          QG2   VAL   18 - HN    CYS   21   7.40 +/- 0.61   4.736% *  3.5885% (0.65   0.08   0.02) =   0.430%
          QG1   VAL   43 - HN    CYS   21   8.26 +/- 1.03   3.249% *  1.1504% (0.87   0.02   0.02) =   0.094%
          QG2   THR   46 - HN    CYS   21   8.55 +/- 1.38   2.550% *  0.6977% (0.53   0.02   0.02) =   0.045%
          QD1   ILE   56 - HN    ILE  119   7.41 +/- 1.20   6.415% *  0.1293% (0.10   0.02   0.02) =   0.021%
          QG1   VAL   41 - HN    CYS   21  10.72 +/- 1.12   0.574% *  1.2999% (0.98   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    CYS   21  10.16 +/- 0.67   0.661% *  0.9630% (0.73   0.02   0.02) =   0.016%
          QG1   VAL   43 - HN    ILE  119  13.54 +/- 1.71   0.136% *  0.3635% (0.27   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  12.53 +/- 0.80   0.180% *  0.2711% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  14.72 +/- 1.89   0.115% *  0.4093% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  13.57 +/- 1.82   0.177% *  0.2205% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.39 +/- 1.27   0.090% *  0.2372% (0.18   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  15.96 +/- 1.99   0.051% *  0.4108% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  119  17.77 +/- 1.71   0.026% *  0.0933% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  22.08 +/- 2.18   0.007% *  0.3043% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.396, support = 4.35, residual support = 7.82:
          QD1   LEU   73 - HN    CYS   21   4.92 +/- 0.61  15.024% * 81.4343% (0.53   4.71   7.65) =  70.845%  kept
          QD2   LEU  115 - HN    ILE  119   3.97 +/- 0.84  50.504% *  8.8703% (0.07   3.84   9.23) =  25.940%  kept
          QD2   LEU   80 - HN    CYS   21   6.42 +/- 2.09   6.055% *  4.5463% (0.20   0.70   0.02) =   1.594%  kept
          QD1   LEU   63 - HN    ILE  119   5.73 +/- 1.42  10.277% *  2.3095% (0.17   0.42   0.02) =   1.374%  kept
          QD2   LEU   63 - HN    ILE  119   5.53 +/- 1.44  12.791% *  0.2072% (0.32   0.02   0.02) =   0.153%
          QD1   LEU   80 - HN    CYS   21   6.94 +/- 2.63   4.854% *  0.2946% (0.45   0.02   0.02) =   0.083%
          QG2   VAL   41 - HN    CYS   21   9.41 +/- 0.88   0.242% *  0.4250% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    CYS   21  11.57 +/- 1.22   0.092% *  0.2946% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.06 +/- 1.52   0.055% *  0.3457% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    CYS   21  13.30 +/- 1.19   0.028% *  0.6556% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  14.19 +/- 2.66   0.033% *  0.0931% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  15.17 +/- 1.90   0.017% *  0.1343% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.42 +/- 1.96   0.011% *  0.1463% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.97 +/- 1.37   0.011% *  0.1092% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  20.67 +/- 1.36   0.002% *  0.0931% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.89 +/- 1.55   0.003% *  0.0411% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 5.29, residual support = 35.4:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.12  96.560% * 51.9752% (0.28   5.37  36.05) =  97.134%  kept
          HN    GLN  116 - HN    ILE  119   4.56 +/- 0.24   3.218% * 45.9911% (0.53   2.51  14.61) =   2.864%  kept
          HN    GLU- 114 - HN    ILE  119   7.57 +/- 0.41   0.159% *  0.6584% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.31 +/- 0.53   0.048% *  0.0942% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.32 +/- 2.06   0.003% *  0.6584% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.37 +/- 0.53   0.008% *  0.2080% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.36 +/- 1.26   0.004% *  0.0298% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.56 +/- 1.44   0.000% *  0.2080% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.30 +/- 1.36   0.000% *  0.1157% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.80 +/- 1.13   0.000% *  0.0611% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.404, support = 2.76, residual support = 19.3:
          QE    PHE   59 - HN    ILE  119   3.38 +/- 0.67  90.074% * 25.0369% (0.22   3.00  22.10) =  76.618%  kept
          HN    HIS  122 - HN    ILE  119   5.25 +/- 0.13   9.408% * 73.1310% (1.00   1.96  10.21) =  23.375%  kept
          HN    PHE   59 - HN    ILE  119   8.70 +/- 0.91   0.458% *  0.4245% (0.57   0.02  22.10) =   0.007%
          HH2   TRP   87 - HN    CYS   21  15.73 +/- 4.54   0.025% *  0.2364% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  23.66 +/- 4.60   0.002% *  0.7480% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  16.92 +/- 1.34   0.010% *  0.1341% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  15.17 +/- 1.96   0.022% *  0.0527% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.44 +/- 2.11   0.002% *  0.2364% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 15.6:
          HN    ALA   20 - HN    CYS   21   4.11 +/- 0.09  99.994% * 99.7871% (0.95   2.96  15.55) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.37 +/- 1.24   0.006% *  0.2129% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 54.0:
        T HN    ALA  120 - HN    ILE  119   2.76 +/- 0.10  96.596% * 95.2034% (1.00 10.00   5.51  54.08) =  99.845%  kept
          HE21  GLN  116 - HN    ILE  119   5.54 +/- 1.09   3.315% *  4.3027% (0.80  1.00   1.13  14.61) =   0.155%
          HN    ALA   57 - HN    ILE  119  11.44 +/- 0.96   0.022% *  0.0691% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.68 +/- 0.37   0.030% *  0.0237% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.77 +/- 1.95   0.032% *  0.0053% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.78 +/- 1.65   0.000% *  0.3008% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.47 +/- 1.39   0.002% *  0.0218% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.98 +/- 1.93   0.001% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.43 +/- 2.25   0.000% *  0.0241% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.95 +/- 1.90   0.001% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  26.24 +/- 1.74   0.000% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.89 +/- 3.53   0.000% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.27, residual support = 36.0:
          HB    THR  118 - HN    ILE  119   3.02 +/- 0.23  99.951% * 98.0382% (0.98   5.27  36.05) = 100.000%  kept
          HB    THR   39 - HN    CYS   21  13.78 +/- 0.62   0.012% *  0.0916% (0.24   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  14.99 +/- 1.95   0.010% *  0.0870% (0.23   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.48 +/- 0.67   0.006% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.55 +/- 2.41   0.012% *  0.0493% (0.13   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  20.13 +/- 2.33   0.001% *  0.2899% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  17.22 +/- 2.00   0.004% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  21.70 +/- 1.86   0.001% *  0.3401% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.89 +/- 1.18   0.001% *  0.1175% (0.31   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  24.05 +/- 2.41   0.000% *  0.3401% (0.90   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.08 +/- 1.51   0.000% *  0.2754% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  28.94 +/- 2.19   0.000% *  0.1559% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 7.5, residual support = 255.5:
          HG12  ILE  119 - HN    ILE  119   3.32 +/- 0.28  97.312% * 97.6279% (0.90   7.50 255.48) =  99.998%  kept
          HB2   ASP- 105 - HN    ILE  119   8.14 +/- 2.99   1.310% *  0.0393% (0.14   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   21   8.46 +/- 0.56   0.432% *  0.0823% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.70 +/- 0.74   0.399% *  0.0886% (0.30   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.03 +/- 1.72   0.154% *  0.0847% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.24 +/- 0.54   0.246% *  0.0483% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.08 +/- 1.39   0.035% *  0.2605% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  13.81 +/- 1.54   0.024% *  0.2803% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.06 +/- 1.07   0.050% *  0.0735% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.40 +/- 1.59   0.004% *  0.2326% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  17.28 +/- 1.65   0.007% *  0.1194% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  17.26 +/- 1.43   0.006% *  0.0910% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.57 +/- 1.88   0.002% *  0.2681% (0.92   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  22.15 +/- 1.33   0.001% *  0.2879% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.64 +/- 1.84   0.004% *  0.0823% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  18.38 +/- 3.04   0.008% *  0.0313% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.08 +/- 1.36   0.004% *  0.0377% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.35 +/- 1.79   0.000% *  0.1528% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.78 +/- 1.12   0.002% *  0.0124% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.01 +/- 1.98   0.000% *  0.0991% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.53, residual support = 255.5:
      O   HB    ILE  119 - HN    ILE  119   2.08 +/- 0.18  99.703% * 99.0354% (0.92  10.0   7.53 255.48) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.75 +/- 0.81   0.165% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.07 +/- 0.45   0.088% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.67 +/- 1.48   0.008% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  10.01 +/- 1.34   0.011% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.30 +/- 2.50   0.003% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.61 +/- 0.46   0.006% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.99 +/- 0.26   0.009% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.09 +/- 1.44   0.001% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.16 +/- 1.15   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.78 +/- 0.57   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  14.25 +/- 1.71   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  18.67 +/- 2.47   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.23 +/- 1.60   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.95 +/- 2.88   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.59 +/- 1.61   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.92 +/- 1.41   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.03 +/- 2.00   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.49 +/- 1.61   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  19.94 +/- 2.71   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.92 +/- 1.90   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.18 +/- 1.75   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.72 +/- 2.41   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.25 +/- 2.01   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.85, support = 6.49, residual support = 211.8:
          HG13  ILE  119 - HN    ILE  119   3.87 +/- 0.81  28.738% * 84.2110% (0.99   7.17 255.48) =  82.279%  kept
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.04  35.260% *  8.5165% (0.19   3.75  15.55) =  10.209%  kept
          QG1   VAL  107 - HN    ILE  119   4.36 +/- 1.70  35.002% *  6.3100% (0.20   2.69   0.40) =   7.509%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.28 +/- 0.46   0.531% *  0.0591% (0.25   0.02   1.84) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.88 +/- 1.51   0.140% *  0.1437% (0.61   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.04 +/- 0.54   0.292% *  0.0364% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.23 +/- 0.45   0.023% *  0.0747% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.37 +/- 1.08   0.002% *  0.1437% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.88 +/- 2.08   0.002% *  0.0742% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.80 +/- 2.20   0.001% *  0.2364% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.42 +/- 2.38   0.001% *  0.1153% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.29 +/- 1.33   0.006% *  0.0148% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.36 +/- 2.58   0.001% *  0.0454% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.63 +/- 1.63   0.001% *  0.0187% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.55, support = 0.0198, residual support = 3.34:
          QD1   LEU   67 - HN    ILE  119   8.17 +/- 2.39  14.949% * 15.1858% (0.92   0.02   0.02) =  39.809%  kept
          HG3   LYS+  74 - HN    CYS   21   6.14 +/- 0.66  43.208% *  3.7747% (0.23   0.02   9.76) =  28.600%  kept
          HB    VAL   75 - HN    CYS   21   6.66 +/- 1.16  31.497% *  3.9726% (0.24   0.02   2.45) =  21.942%  kept
          QD2   LEU   40 - HN    ILE  119  11.31 +/- 2.24   1.530% * 15.5616% (0.95   0.02   0.02) =   4.175%  kept
          QG2   ILE  103 - HN    ILE  119  11.95 +/- 2.14   0.985% * 13.7407% (0.84   0.02   0.02) =   2.373%  kept
          QD2   LEU   71 - HN    CYS   21   8.73 +/- 0.61   5.452% *  1.2962% (0.08   0.02   0.02) =   1.239%  kept
          QD1   LEU   67 - HN    CYS   21  13.32 +/- 1.35   0.650% *  4.7985% (0.29   0.02   0.02) =   0.547%  kept
          QD2   LEU   40 - HN    CYS   21  12.64 +/- 0.91   0.594% *  4.9173% (0.30   0.02   0.02) =   0.512%  kept
          QD1   ILE  103 - HN    ILE  119  13.91 +/- 2.29   0.537% *  2.8810% (0.18   0.02   0.02) =   0.271%
          HG3   LYS+  74 - HN    ILE  119  17.51 +/- 1.54   0.084% * 11.9456% (0.73   0.02   0.02) =   0.176%
          HB    VAL   75 - HN    ILE  119  18.57 +/- 1.52   0.060% * 12.5720% (0.76   0.02   0.02) =   0.131%
          QD2   LEU   71 - HN    ILE  119  15.72 +/- 1.50   0.147% *  4.1020% (0.25   0.02   0.02) =   0.106%
          QG2   ILE  103 - HN    CYS   21  16.45 +/- 1.00   0.116% *  4.3419% (0.26   0.02   0.02) =   0.088%
          QD1   ILE  103 - HN    CYS   21  15.63 +/- 1.74   0.191% *  0.9104% (0.06   0.02   0.02) =   0.031%
    Distance limit 3.54 A violated in 18 structures by 1.62 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.76, residual support = 36.0:
          QG2   THR  118 - HN    ILE  119   3.50 +/- 0.42  99.985% * 99.9065% (0.57   6.76  36.05) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.77 +/- 1.02   0.015% *  0.0935% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.798, support = 3.99, residual support = 49.2:
          QB    ALA  120 - HN    ILE  119   4.30 +/- 0.10  54.307% * 67.7183% (0.80   4.37  54.08) =  89.114%  kept
          HB3   LEU  115 - HN    ILE  119   5.31 +/- 0.57  16.444% * 12.2782% (0.95   0.67   9.23) =   4.893%  kept
          HG    LEU  115 - HN    ILE  119   5.58 +/- 0.98  15.038% * 12.2498% (0.80   0.79   9.23) =   4.464%  kept
          HG    LEU   73 - HN    CYS   21   6.01 +/- 1.05  11.562% *  5.4218% (0.15   1.82   7.65) =   1.519%  kept
          QG    LYS+  66 - HN    ILE  119   8.53 +/- 1.74   1.732% *  0.1195% (0.31   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE  119  11.16 +/- 2.81   0.371% *  0.3839% (0.99   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  14.27 +/- 2.74   0.077% *  0.3664% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  11.48 +/- 2.20   0.261% *  0.0678% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE  119  15.41 +/- 2.44   0.042% *  0.2193% (0.57   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.88 +/- 1.14   0.035% *  0.1158% (0.30   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.71 +/- 2.01   0.016% *  0.1885% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.83 +/- 1.56   0.020% *  0.1213% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.73 +/- 2.71   0.009% *  0.2349% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.56 +/- 0.86   0.026% *  0.0693% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.98 +/- 1.58   0.008% *  0.1158% (0.30   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  16.87 +/- 1.00   0.016% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  20.35 +/- 1.81   0.006% *  0.0980% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.87 +/- 1.06   0.023% *  0.0214% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.85 +/- 1.45   0.005% *  0.0980% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.41 +/- 1.48   0.003% *  0.0742% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.7, residual support = 2.45:
          QG2   VAL   75 - HN    CYS   21   5.25 +/- 0.95  91.324% * 98.1939% (1.00   1.70   2.45) =  99.945%  kept
          QG2   VAL   42 - HN    CYS   21  10.53 +/- 0.82   2.568% *  1.0951% (0.95   0.02   0.02) =   0.031%
          QG2   VAL   42 - HN    ILE  119   9.56 +/- 1.82   5.829% *  0.3460% (0.30   0.02   0.02) =   0.022%
          QG2   VAL   75 - HN    ILE  119  15.33 +/- 1.48   0.279% *  0.3650% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 11 structures by 0.94 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.74, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.26 +/- 0.08  99.997% * 99.6430% (0.84  10.0   3.74  15.24) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.79 +/- 0.82   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.43 +/- 0.51   0.002% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.85 +/- 1.96   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  20.13 +/- 1.17   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.08 +/- 1.61   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.80 +/- 0.39  99.995% * 99.7549% (0.99   3.68  25.47) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.38 +/- 1.09   0.005% *  0.2451% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 172.1:
      O   HB    ILE   19 - HN    ILE   19   2.34 +/- 0.25  99.499% * 99.4048% (0.97  10.0   5.85 172.08) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.02 +/- 0.38   0.432% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.61 +/- 0.61   0.047% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  12.92 +/- 1.02   0.005% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  11.51 +/- 1.65   0.013% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.25 +/- 0.30   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.43 +/- 1.14   0.001% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.56 +/- 1.22   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.59 +/- 1.14   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.03 +/- 2.16   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 6.0, residual support = 166.4:
          HG12  ILE   19 - HN    ILE   19   3.55 +/- 0.73  76.425% * 78.1323% (0.73   6.17 172.08) =  96.592%  kept
          HG    LEU   73 - HN    ILE   19   5.56 +/- 0.89  10.566% * 14.8378% (0.80   1.06   4.00) =   2.536%  kept
          HB3   LYS+  74 - HN    ILE   19   5.57 +/- 0.89  11.276% *  4.7362% (0.18   1.55   8.28) =   0.864%  kept
          QB    ALA   61 - HN    ILE   19   7.80 +/- 0.92   1.184% *  0.3364% (0.97   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ILE   19  10.58 +/- 1.15   0.156% *  0.3486% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE   19  12.18 +/- 0.93   0.059% *  0.3297% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.54 +/- 1.74   0.158% *  0.0776% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  14.02 +/- 2.83   0.038% *  0.2911% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.68 +/- 0.95   0.082% *  0.1076% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  16.65 +/- 2.70   0.017% *  0.2791% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.71 +/- 2.34   0.023% *  0.1076% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.32 +/- 1.28   0.010% *  0.1076% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.00 +/- 1.35   0.002% *  0.2394% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.05 +/- 2.12   0.005% *  0.0690% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 172.0:
          HG13  ILE   19 - HN    ILE   19   3.49 +/- 0.65  93.395% * 97.9799% (0.97   5.85 172.08) =  99.977%  kept
          HG2   LYS+  74 - HN    ILE   19   7.02 +/- 1.01   3.475% *  0.3439% (0.99   0.02   8.28) =   0.013%
          HG    LEU   71 - HN    ILE   19   7.27 +/- 1.26   2.311% *  0.3401% (0.98   0.02   0.02) =   0.009%
          QG2   THR   39 - HN    ILE   19   9.01 +/- 0.68   0.455% *  0.2383% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.76 +/- 0.51   0.276% *  0.0470% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.86 +/- 1.28   0.053% *  0.0865% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  17.29 +/- 1.35   0.008% *  0.3462% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.60 +/- 1.05   0.011% *  0.2383% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.66 +/- 0.94   0.006% *  0.1426% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  19.65 +/- 2.53   0.006% *  0.1302% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.66 +/- 2.21   0.003% *  0.1071% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.86, residual support = 22.7:
          QG1   VAL   18 - HN    ILE   19   2.68 +/- 0.34  95.831% * 96.4012% (0.34   4.86  22.71) =  99.964%  kept
          QD1   LEU   71 - HN    ILE   19   6.50 +/- 1.51   4.014% *  0.7985% (0.69   0.02   0.02) =   0.035%
          QG1   VAL   70 - HN    ILE   19   8.90 +/- 1.20   0.147% *  0.5212% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  15.28 +/- 2.36   0.004% *  0.7985% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.94 +/- 1.28   0.001% *  1.1218% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.58 +/- 2.85   0.003% *  0.3588% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.82, support = 4.83, residual support = 61.6:
          QG2   VAL   18 - HN    ILE   19   3.85 +/- 0.48  37.358% * 57.4010% (0.97   4.85  22.71) =  68.165%  kept
          QD1   ILE   19 - HN    ILE   19   4.21 +/- 0.46  22.289% * 37.6352% (0.57   5.42 172.08) =  26.666%  kept
          QD2   LEU   73 - HN    ILE   19   3.92 +/- 0.84  39.657% *  4.0961% (0.22   1.50   4.00) =   5.164%  kept
          QG1   VAL   43 - HN    ILE   19   8.57 +/- 0.98   0.356% *  0.2431% (0.99   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    ILE   19   9.51 +/- 1.49   0.164% *  0.2200% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19   9.87 +/- 1.15   0.129% *  0.2200% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.91 +/- 0.72   0.038% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.43 +/- 1.38   0.009% *  0.1009% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.703, support = 4.25, residual support = 24.5:
          HG12  ILE   19 - HN    ALA   20   4.77 +/- 0.79  57.847% * 83.1093% (0.73   4.41  25.47) =  94.924%  kept
          HB3   LYS+  74 - HN    ALA   20   5.40 +/- 0.58  34.343% *  6.2055% (0.18   1.37   8.19) =   4.208%  kept
          HG    LEU   73 - HN    ALA   20   7.64 +/- 0.95   5.939% *  7.2691% (0.80   0.35   0.02) =   0.852%  kept
          QB    ALA   61 - HN    ALA   20   9.86 +/- 1.20   1.136% *  0.5010% (0.97   0.02   0.02) =   0.011%
          HG    LEU   80 - HN    ALA   20  12.52 +/- 2.74   0.259% *  0.4336% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  14.81 +/- 1.28   0.087% *  0.5191% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  15.67 +/- 0.98   0.052% *  0.4911% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  13.50 +/- 2.10   0.139% *  0.1602% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  18.92 +/- 2.91   0.027% *  0.4157% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.77 +/- 1.98   0.096% *  0.1156% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.45 +/- 1.12   0.053% *  0.1602% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  19.85 +/- 1.48   0.013% *  0.1602% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.10 +/- 1.37   0.004% *  0.3566% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.28 +/- 2.13   0.005% *  0.1027% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.376, support = 2.47, residual support = 8.37:
          HB3   LYS+  74 - HN    CYS   21   3.94 +/- 0.56  63.982% * 12.8328% (0.18   2.83   9.76) =  64.086%  kept
          HG    LEU   73 - HN    CYS   21   6.01 +/- 1.05   8.526% * 37.7795% (0.80   1.82   7.65) =  25.140%  kept
          HG12  ILE   19 - HN    CYS   21   6.88 +/- 0.29   2.559% * 41.9419% (0.73   2.23   0.29) =   8.379%  kept
          HB3   LEU  115 - HN    ILE  119   5.31 +/- 0.57  13.534% *  1.6943% (0.10   0.67   9.23) =   1.790%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.34 +/- 0.96   5.902% *  1.0667% (0.06   0.66   1.84) =   0.491%
          HG    LEU   80 - HN    CYS   21   8.73 +/- 2.85   2.006% *  0.4330% (0.84   0.02   0.02) =   0.068%
          QG    LYS+  66 - HN    ILE  119   8.53 +/- 1.74   1.277% *  0.1549% (0.30   0.02   0.02) =   0.015%
          QB    ALA   61 - HN    CYS   21  10.88 +/- 1.20   0.231% *  0.5003% (0.97   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    CYS   21   9.68 +/- 2.22   0.620% *  0.1600% (0.31   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    ILE  119  10.00 +/- 1.64   0.507% *  0.1312% (0.25   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE  119  11.48 +/- 2.20   0.212% *  0.1638% (0.32   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ILE  119  11.03 +/- 0.53   0.148% *  0.1581% (0.30   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  11.16 +/- 2.81   0.289% *  0.0365% (0.07   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    CYS   21  17.49 +/- 2.68   0.025% *  0.4151% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.87 +/- 1.06   0.019% *  0.5184% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  16.87 +/- 1.00   0.012% *  0.4904% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.88 +/- 1.14   0.028% *  0.1600% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  14.27 +/- 2.74   0.060% *  0.0506% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.83 +/- 1.56   0.017% *  0.1154% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.71 +/- 2.01   0.013% *  0.1312% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.98 +/- 1.58   0.007% *  0.1600% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.41 +/- 1.48   0.002% *  0.3561% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.73 +/- 2.71   0.006% *  0.1125% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.80 +/- 2.04   0.005% *  0.1189% (0.23   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.44 +/- 1.45   0.009% *  0.0287% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.74 +/- 2.21   0.002% *  0.1026% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  24.67 +/- 1.99   0.001% *  0.1368% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  24.26 +/- 1.91   0.002% *  0.0506% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.6:
      O   QG    GLN   17 - HE21  GLN   17   2.17 +/- 0.08  99.996% * 99.5957% (0.48  10.0   3.17  84.58) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.13 +/- 1.17   0.002% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.43 +/- 2.40   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.39 +/- 3.30   0.001% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.05 +/- 2.02   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.78 +/- 1.68   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  29.12 +/- 1.77   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.43 +/- 0.03  99.081% * 99.9055% (0.73 10.00   5.47  50.08) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.01 +/- 0.94   0.919% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.43 +/- 0.03  99.830% * 99.7850% (0.89 10.00   5.47  50.08) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.27 +/- 1.27   0.165% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  23.88 +/- 2.79   0.005% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.28:
        T HN    LYS+  74 - HN    ILE   19   4.48 +/- 0.78  99.564% * 99.4791% (0.41 10.00   3.25   8.28) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  12.01 +/- 0.98   0.371% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  19.03 +/- 1.78   0.027% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  19.53 +/- 2.20   0.028% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.33 +/- 1.32   0.010% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 3 structures by 0.29 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 2.83, residual support = 2.97:
          HN    THR   26 - HN    VAL   24   4.47 +/- 0.14  78.376% * 88.5117% (0.87   2.88   2.77) =  96.658%  kept
          HN    LEU   80 - HN    VAL   24   5.89 +/- 1.16  21.556% * 11.1261% (0.20   1.59   9.00) =   3.342%  kept
          HN    ALA   34 - HN    VAL   24  15.00 +/- 0.32   0.057% *  0.0960% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  19.97 +/- 1.30   0.011% *  0.2662% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.37, residual support = 25.9:
          HN    THR   23 - HN    VAL   24   4.46 +/- 0.21  93.118% * 98.2401% (0.98   4.38  25.90) =  99.977%  kept
          HE3   TRP   27 - HN    VAL   24   7.97 +/- 1.04   5.564% *  0.3501% (0.76   0.02  23.20) =   0.021%
          HD2   HIS   22 - HN    VAL   24   9.24 +/- 0.17   1.207% *  0.1020% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  16.28 +/- 1.82   0.050% *  0.4541% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  16.86 +/- 2.36   0.050% *  0.1563% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  22.90 +/- 1.93   0.006% *  0.3827% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.88 +/- 0.93   0.005% *  0.3147% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27   7.79 +/- 4.70 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.04 A violated in 14 structures by 3.83 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.71 +/- 0.02  97.452% * 98.9220% (0.98 10.00   4.04  18.79) =  99.999%  kept
          HN    GLN   32 - HN    ASN   35   4.99 +/- 0.16   2.547% *  0.0531% (0.53  1.00   0.02   5.78) =   0.001%
        T HN    LEU   80 - HN    ASN   35  21.24 +/- 1.85   0.000% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  23.89 +/- 3.58   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.85 +/- 1.11   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.43 +/- 0.07  99.999% * 99.7690% (0.98 10.00   3.97  18.93) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.06 +/- 0.48   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  26.25 +/- 3.28   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  26.16 +/- 2.37   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.29, residual support = 27.9:
        T HN    LYS+  38 - HN    THR   39   2.65 +/- 0.12  99.957% * 99.8693% (1.00 10.00   5.29  27.89) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.76 +/- 0.37   0.042% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.85 +/- 0.91   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  29.17 +/- 0.87   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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   3.04 +/- 0.42  99.688% * 99.8546% (0.76   4.00  16.40) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.26 +/- 0.36   0.312% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 3.89, residual support = 6.37:
          HN    LEU   73 - HN    ASP-  44   3.74 +/- 0.51  95.893% * 68.2609% (0.38   3.93   6.49) =  98.159%  kept
          HN    VAL   42 - HN    ASP-  44   6.60 +/- 0.27   3.980% * 30.8145% (0.38   1.77   0.02) =   1.839%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.27 +/- 0.89   0.127% *  0.9246% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.78, residual support = 36.5:
          HN    VAL   42 - HN    VAL   43   4.38 +/- 0.13  70.938% * 74.8170% (0.38   6.27  40.21) =  88.522%  kept
          HN    LEU   73 - HN    VAL   43   5.20 +/- 0.51  28.006% * 24.5483% (0.38   2.06   7.84) =  11.467%  kept
          HN    LYS+ 106 - HN    VAL   43   9.33 +/- 0.86   1.057% *  0.6347% (1.00   0.02   0.02) =   0.011%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.808, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.82 +/- 0.85  52.406% * 15.3753% (0.65   0.02   0.02) =  43.647%  kept
          HN    ALA   84 - HN    ASP-  44  13.16 +/- 2.32  21.988% * 23.7147% (1.00   0.02   0.02) =  28.246%  kept
          HN    ILE   56 - HN    ASP-  44  13.61 +/- 1.13  14.212% * 18.1638% (0.76   0.02   0.02) =  13.983%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.19 +/- 2.26   9.373% * 23.7147% (1.00   0.02   0.02) =  12.041%  kept
          HE21  GLN   32 - HN    ASP-  44  18.70 +/- 0.98   2.021% * 19.0315% (0.80   0.02   0.02) =   2.083%  kept
    Distance limit 4.22 A violated in 20 structures by 5.38 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 0.0199, residual support = 0.464:
          QD    PHE   60 - HN    ASP-  44   6.21 +/- 1.03  84.836% * 13.9289% (0.41   0.02   0.62) =  73.600%  kept
          QE    PHE   59 - HN    ASP-  44   9.38 +/- 2.44  11.018% * 31.2761% (0.92   0.02   0.02) =  21.463%  kept
          HN    LYS+  66 - HN    ASP-  44  13.30 +/- 0.73   1.522% * 30.3855% (0.90   0.02   0.02) =   2.880%  kept
          HN    PHE   59 - HN    ASP-  44  12.55 +/- 1.39   1.384% * 19.1819% (0.57   0.02   0.02) =   1.654%  kept
          HN    LYS+  81 - HN    ASP-  44  14.43 +/- 1.29   1.240% *  5.2277% (0.15   0.02   0.02) =   0.404%
    Distance limit 4.51 A violated in 16 structures by 1.54 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.659, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.16 +/- 0.76  81.067% * 29.1578% (0.63   0.02   0.02) =  77.640%  kept
          HD21  ASN   69 - HN    ASP-  62  14.68 +/- 1.46  18.051% * 36.0114% (0.77   0.02   0.02) =  21.351%  kept
          HN    TRP   87 - HN    ASP-  62  24.20 +/- 1.86   0.882% * 34.8308% (0.75   0.02   0.02) =   1.009%  kept
    Distance limit 3.41 A violated in 20 structures by 7.35 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   2.64 +/- 0.10  99.946% * 98.0197% (0.32 10.00   5.86  42.50) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.75 +/- 0.62   0.044% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  14.03 +/- 2.67   0.010% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.92 +/- 1.00   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.12 +/- 1.26   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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   7.79 +/- 0.45  97.815% * 48.0011% (0.92   0.02   0.02) =  97.637%  kept
          HN    ALA  110 - HN    LEU   73  16.43 +/- 2.73   2.185% * 51.9989% (1.00   0.02   0.02) =   2.363%  kept
    Distance limit 3.99 A violated in 20 structures by 3.77 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.381, support = 4.0, residual support = 21.9:
          HN    VAL   75 - HN    ASP-  76   4.24 +/- 0.10  77.757% * 48.7270% (0.28   4.64  27.45) =  77.062%  kept
          HN    ASP-  78 - HN    ASP-  76   5.26 +/- 0.25  22.234% * 50.7243% (0.73   1.85   3.06) =  22.938%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.23 +/- 2.73   0.007% *  0.3386% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  27.30 +/- 3.79   0.002% *  0.2100% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 27.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.34 +/- 0.15  95.096% * 99.6886% (0.87 10.00   5.35  27.53) =  99.997%  kept
          HN    ILE   56 - HN    LYS+ 112   8.11 +/- 1.60   4.778% *  0.0559% (0.49  1.00   0.02   8.55) =   0.003%
          HN    LEU   63 - HN    LYS+ 112  13.62 +/- 1.56   0.120% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.58 +/- 3.00   0.006% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.09 +/- 1.50   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.394, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.90 +/- 1.52  77.795% * 11.5373% (0.28   0.02   0.02) =  64.137%  kept
          QD    PHE   60 - HN    GLN  116  10.95 +/- 1.23  16.947% * 26.8436% (0.65   0.02   0.02) =  32.508%  kept
          HN    LYS+  66 - HN    GLN  116  13.34 +/- 1.12   4.920% *  8.2119% (0.20   0.02   0.02) =   2.887%  kept
          HE3   TRP   27 - HN    GLN  116  22.14 +/- 1.64   0.266% * 14.1544% (0.34   0.02   0.02) =   0.269%
          HN    LYS+  81 - HN    GLN  116  26.98 +/- 1.99   0.071% * 39.2529% (0.95   0.02   0.02) =   0.198%
    Distance limit 4.30 A violated in 19 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.793, support = 5.75, residual support = 51.0:
      O   HA    ILE  119 - HN    ALA  120   3.61 +/- 0.02  73.178% * 85.5809% (0.80  10.0   5.86  54.08) =  94.306%  kept
          HA    THR  118 - HN    ALA  120   4.31 +/- 0.29  26.667% * 14.1796% (0.67   1.0   3.96   0.22) =   5.694%  kept
          HA2   GLY  109 - HN    ALA  120  14.71 +/- 2.12   0.096% *  0.0406% (0.38   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA  120  12.27 +/- 1.03   0.056% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.48 +/- 2.24   0.001% *  0.0790% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.26 +/- 1.36   0.001% *  0.0406% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  26.01 +/- 1.92   0.001% *  0.0598% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 5.76:
          HA    SER  117 - HN    ALA  120   3.77 +/- 0.22  99.806% * 95.2241% (0.92   0.75   5.76) =  99.997%  kept
          HA    ASP-  62 - HN    ALA  120  11.64 +/- 1.38   0.156% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  14.42 +/- 0.66   0.034% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  21.65 +/- 2.13   0.004% *  0.4457% (0.16   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  27.32 +/- 1.93   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.04, residual support = 123.1:
      O   HG3   GLN  116 - HE21  GLN  116   3.44 +/- 0.23  99.994% * 99.8198% (0.69  10.0   4.04 123.06) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.90 +/- 2.13   0.005% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  26.03 +/- 3.13   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.82 +/- 4.64   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.504, support = 2.78, residual support = 60.6:
          HG    LEU  115 - HE21  GLN  116   6.59 +/- 1.48  17.685% * 26.7105% (0.41   3.98 100.55) =  42.636%  kept
          QB    ALA  120 - HE21  GLN  116   4.33 +/- 1.18  76.365% *  5.7848% (0.41   0.86   0.43) =  39.871%  kept
          HB3   LEU  115 - HE21  GLN  116   7.65 +/- 0.94   2.944% * 65.6310% (0.95   4.25 100.55) =  17.439%  kept
          QG    LYS+  66 - HE21  GLN  116   9.50 +/- 2.93   2.143% *  0.2243% (0.69   0.02   0.02) =   0.043%
          HG    LEU   67 - HE21  GLN  116  13.95 +/- 4.04   0.161% *  0.2833% (0.87   0.02   0.02) =   0.004%
          HB3   LEU   67 - HE21  GLN  116  14.46 +/- 3.79   0.149% *  0.1590% (0.49   0.02   0.02) =   0.002%
          QB    ALA   61 - HE21  GLN  116  12.23 +/- 1.59   0.195% *  0.1114% (0.34   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  11.31 +/- 1.16   0.319% *  0.0572% (0.18   0.02   0.02) =   0.002%
          HG    LEU   40 - HE21  GLN  116  18.78 +/- 3.81   0.017% *  0.3089% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  21.86 +/- 3.01   0.005% *  0.2833% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  19.68 +/- 3.69   0.011% *  0.0727% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.32 +/- 3.10   0.003% *  0.3089% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  28.28 +/- 2.42   0.001% *  0.0646% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.325, support = 1.15, residual support = 0.778:
          HB    ILE  119 - HN    SER  117   4.68 +/- 0.40  53.297% * 49.6901% (0.20   1.55   1.13) =  68.318%  kept
          QB    GLU- 114 - HN    SER  117   4.86 +/- 0.25  41.979% * 28.8947% (0.61   0.29   0.02) =  31.290%  kept
          HB2   LYS+ 111 - HN    SER  117   7.48 +/- 1.17   4.670% *  3.2269% (1.00   0.02   0.02) =   0.389%
          HB3   PRO   68 - HN    SER  117  19.40 +/- 1.62   0.012% *  2.7013% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    SER  117  18.77 +/- 1.87   0.017% *  1.4499% (0.45   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  21.61 +/- 1.55   0.006% *  3.2269% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  21.97 +/- 1.36   0.005% *  3.2269% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  21.79 +/- 1.07   0.005% *  1.7015% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.39 +/- 1.16   0.002% *  1.4499% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  24.40 +/- 2.05   0.003% *  0.8064% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.56 +/- 1.83   0.001% *  2.9854% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.85 +/- 1.32   0.002% *  0.6400% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.865, support = 2.36, residual support = 2.97:
          HG    LEU  115 - HN    SER  117   5.31 +/- 0.87  37.718% * 33.0271% (0.84   2.38   2.05) =  40.826%  kept
          HB3   LEU  115 - HN    SER  117   5.62 +/- 0.44  22.758% * 46.1409% (0.92   3.01   2.05) =  34.414%  kept
          QB    ALA  120 - HN    SER  117   5.07 +/- 0.38  38.702% * 19.5182% (0.84   1.41   5.76) =  24.756%  kept
          QG    LYS+  66 - HN    SER  117  11.03 +/- 1.57   0.535% *  0.0923% (0.28   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    SER  117  14.45 +/- 2.76   0.124% *  0.3255% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  17.25 +/- 2.04   0.034% *  0.3065% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  14.81 +/- 2.08   0.090% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  18.48 +/- 1.89   0.021% *  0.2014% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.55 +/- 2.34   0.008% *  0.1880% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.53 +/- 1.61   0.010% *  0.1489% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 2.97, residual support = 16.6:
          HB2   PHE   97 - HN    LEU  104   3.63 +/- 0.87  83.610% * 81.7148% (1.00   3.05  17.28) =  96.327%  kept
          QE    LYS+ 106 - HN    LEU  104   5.60 +/- 0.99  15.174% * 17.1528% (0.76   0.84   0.02) =   3.670%  kept
          QE    LYS+  99 - HN    LEU  104   7.71 +/- 1.15   1.166% *  0.2016% (0.38   0.02  16.88) =   0.003%
          HB3   TRP   27 - HN    LEU  104  16.95 +/- 1.88   0.011% *  0.5325% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  16.19 +/- 1.98   0.013% *  0.3042% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.95 +/- 1.01   0.027% *  0.0941% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.939, support = 5.45, residual support = 35.0:
          HG12  ILE  103 - HN    LEU  104   4.46 +/- 0.35  73.923% * 83.2395% (0.97   5.64  37.00) =  94.572%  kept
          QB    LYS+ 102 - HN    LEU  104   5.61 +/- 0.56  23.093% * 15.2573% (0.49   2.05   0.11) =   5.415%  kept
          HB    VAL   41 - HN    LEU  104   8.46 +/- 1.52   2.571% *  0.3057% (1.00   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    LEU  104  14.68 +/- 1.92   0.097% *  0.2892% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.95 +/- 0.67   0.216% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  17.05 +/- 3.85   0.048% *  0.2336% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.67 +/- 0.52   0.020% *  0.2220% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.75 +/- 1.32   0.022% *  0.1147% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.13 +/- 2.09   0.010% *  0.2336% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.6, residual support = 27.4:
          QB    LEU   98 - HN    ILE  103   4.40 +/- 1.08  99.312% * 87.7858% (0.61   1.60  27.42) =  99.989%  kept
          HD3   LYS+ 121 - HN    ILE  103  14.42 +/- 4.11   0.366% *  1.6241% (0.90   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ILE  103  17.30 +/- 1.68   0.100% *  1.4501% (0.80   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  103  16.85 +/- 2.47   0.073% *  0.7445% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE  103  20.02 +/- 1.98   0.024% *  1.5709% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  21.82 +/- 3.06   0.019% *  1.7751% (0.98   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.53 +/- 1.07   0.029% *  1.0253% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.84 +/- 1.06   0.017% *  1.5709% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  22.09 +/- 3.34   0.017% *  1.3840% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.95 +/- 2.15   0.033% *  0.4516% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.75 +/- 2.67   0.011% *  0.6177% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 5 structures by 0.45 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.802, support = 5.26, residual support = 34.3:
          QD2   LEU  104 - HN    ILE  103   4.21 +/- 0.74  37.275% * 79.8210% (1.00   5.60  37.00) =  71.350%  kept
          QD1   LEU   98 - HN    ILE  103   3.73 +/- 0.64  61.600% * 19.3936% (0.31   4.41  27.42) =  28.648%  kept
          QG1   VAL   43 - HN    ILE  103   9.03 +/- 1.72   0.534% *  0.0972% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  103   8.50 +/- 1.33   0.566% *  0.0564% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  16.90 +/- 1.45   0.009% *  0.2749% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.39 +/- 1.59   0.009% *  0.1957% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.59 +/- 1.05   0.007% *  0.1613% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.88, residual support = 219.1:
          QD1   LEU  104 - HN    LEU  104   3.76 +/- 0.84  96.409% * 97.1242% (0.41   6.88 219.12) =  99.988%  kept
          QD2   LEU   63 - HN    LEU  104  10.11 +/- 2.16   0.758% *  0.4986% (0.73   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU  104  10.39 +/- 1.56   0.483% *  0.6627% (0.97   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    LEU  104   8.14 +/- 1.30   2.011% *  0.1359% (0.20   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  104  11.63 +/- 0.91   0.183% *  0.6627% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU  104  13.25 +/- 1.96   0.132% *  0.4717% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  16.77 +/- 2.33   0.023% *  0.4442% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.397, support = 5.13, residual support = 29.2:
          QD2   LEU  104 - HN    ASP- 105   4.18 +/- 0.48  81.295% * 36.1570% (0.18   6.37  40.75) =  71.279%  kept
          QD1   LEU   98 - HN    ASP- 105   5.71 +/- 1.09  18.659% * 63.4758% (0.95   2.07   0.62) =  28.721%  kept
          QG2   ILE   19 - HN    ASP- 105  14.87 +/- 0.80   0.046% *  0.3672% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.8:
          HG3   LYS+ 106 - HN    LYS+ 106   2.85 +/- 0.47  98.766% * 95.5311% (0.90   4.02 135.76) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   8.32 +/- 3.15   0.834% *  0.0929% (0.18   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 106  11.39 +/- 1.04   0.082% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 106   9.34 +/- 0.55   0.149% *  0.2180% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.76 +/- 1.18   0.100% *  0.1181% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.13 +/- 1.41   0.016% *  0.5256% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.51 +/- 0.64   0.021% *  0.1809% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.77 +/- 0.80   0.007% *  0.5117% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  16.19 +/- 1.25   0.006% *  0.5291% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.42 +/- 1.23   0.002% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  17.43 +/- 2.01   0.004% *  0.1637% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.55 +/- 2.37   0.007% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.94 +/- 1.05   0.001% *  0.5198% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.33 +/- 1.16   0.003% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.40 +/- 2.18   0.000% *  0.3642% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 26.8:
          QG1   VAL  107 - HN    LYS+ 106   4.63 +/- 0.70  98.825% * 97.0533% (0.53   2.85  26.84) =  99.990%  kept
          HG    LEU   63 - HN    LYS+ 106  11.35 +/- 1.82   0.793% *  0.9388% (0.73   0.02   0.02) =   0.008%
          QG2   VAL   24 - HN    LYS+ 106  17.66 +/- 1.96   0.062% *  1.1215% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    LYS+ 106  14.87 +/- 1.01   0.152% *  0.3990% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    LYS+ 106  15.70 +/- 1.52   0.100% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  17.94 +/- 2.37   0.069% *  0.2878% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 2 structures by 0.23 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 64.7:
          QG1   VAL  108 - HN    VAL  108   3.67 +/- 0.10  98.910% * 99.4338% (0.98   4.52  64.74) =  99.997%  kept
          HB3   LEU   63 - HN    VAL  108  12.26 +/- 2.42   0.940% *  0.2360% (0.53   0.02   0.02) =   0.002%
          QD1   LEU   40 - HN    VAL  108  12.62 +/- 1.38   0.101% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  13.84 +/- 1.52   0.049% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 2.85, residual support = 7.7:
          QG2   ILE   89 - HN    ALA   91   3.02 +/- 0.71  97.189% * 99.3815% (1.00   2.85   7.70) =  99.998%  kept
          QG1   VAL   83 - HN    TRP   27   7.22 +/- 2.66   2.678% *  0.0453% (0.07   0.02   1.62) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.84 +/- 0.82   0.089% *  0.3665% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  12.68 +/- 1.08   0.030% *  0.0861% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  19.86 +/- 1.85   0.003% *  0.1075% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.93 +/- 1.78   0.012% *  0.0133% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.32, residual support = 39.9:
          HG3   LYS+  99 - HN    GLU- 100   3.59 +/- 0.46  79.119% * 94.9758% (0.45   5.33  39.97) =  99.820%  kept
          QB    ALA   34 - HN    GLU- 100   5.64 +/- 1.76  12.352% *  0.5778% (0.73   0.02   0.02) =   0.095%
          HG3   LYS+  38 - HN    GLU- 100   7.26 +/- 1.94   4.474% *  0.7886% (0.99   0.02   0.02) =   0.047%
          QG2   THR   39 - HN    GLU- 100   6.81 +/- 1.53   3.634% *  0.7526% (0.95   0.02   0.02) =   0.036%
          HG    LEU   71 - HN    GLU- 100  10.17 +/- 2.30   0.393% *  0.2986% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  16.28 +/- 2.10   0.014% *  0.5147% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.61 +/- 1.57   0.004% *  0.7136% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.19 +/- 1.72   0.003% *  0.7526% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.15 +/- 1.97   0.005% *  0.2986% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.57 +/- 1.46   0.004% *  0.3271% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 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   4.35 +/- 0.16  99.721% * 76.1172% (0.57   0.99   5.56) =  99.994%  kept
          HB3   LEU   73 - HN    LYS+  81  14.65 +/- 1.48   0.082% *  2.5148% (0.92   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  81  15.85 +/- 1.87   0.069% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  15.51 +/- 1.20   0.058% *  0.6065% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  20.25 +/- 1.20   0.011% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.86 +/- 2.39   0.008% *  2.1814% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  23.20 +/- 2.13   0.006% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  21.07 +/- 2.65   0.011% *  1.2214% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.51 +/- 3.54   0.004% *  2.6703% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  19.71 +/- 2.28   0.015% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  24.93 +/- 1.36   0.003% *  2.3631% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.10 +/- 3.73   0.006% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  28.55 +/- 2.38   0.001% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.25 +/- 0.98   0.006% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  30.20 +/- 2.27   0.001% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.9, residual support = 217.2:
          QD1   ILE   89 - HN    ILE   89   2.76 +/- 0.73  95.945% * 99.3855% (0.92   5.90 217.21) =  99.985%  kept
          QG2   VAL   83 - HN    ILE   89   5.59 +/- 0.54   4.038% *  0.3640% (1.00   0.02   0.02) =   0.015%
          QD2   LEU   31 - HN    ILE   89  14.30 +/- 2.99   0.017% *  0.2506% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.369, support = 3.94, residual support = 9.43:
          QB    ALA   88 - HN    ILE   89   3.47 +/- 0.25  64.534% * 57.6829% (0.34   4.55   8.07) =  74.420%  kept
          QB    ALA   84 - HN    ILE   89   4.01 +/- 0.59  35.082% * 36.4659% (0.45   2.19  13.39) =  25.576%  kept
          HB3   LEU   80 - HN    ILE   89   9.01 +/- 0.92   0.253% *  0.7289% (0.98   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    ILE   89  12.62 +/- 1.85   0.102% *  0.3057% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ILE   89  14.53 +/- 2.38   0.015% *  0.6211% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  18.70 +/- 3.09   0.004% *  0.7420% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  18.98 +/- 2.40   0.003% *  0.7289% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  17.88 +/- 3.47   0.005% *  0.4210% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  21.18 +/- 2.27   0.001% *  0.6865% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  25.46 +/- 3.21   0.000% *  0.5955% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  28.44 +/- 3.50   0.000% *  0.5108% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  28.28 +/- 2.58   0.000% *  0.5108% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.606, support = 4.2, residual support = 35.5:
          QB    ALA   91 - HN    GLN   90   4.52 +/- 0.48  47.756% * 61.1332% (0.84   3.04  31.96) =  60.927%  kept
          HG12  ILE   89 - HN    GLN   90   4.48 +/- 0.57  52.009% * 35.9987% (0.25   6.00  41.02) =  39.072%  kept
          QG2   ILE   56 - HN    GLN   90  12.81 +/- 2.22   0.136% *  0.1805% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  14.68 +/- 2.07   0.050% *  0.4440% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  17.17 +/- 2.59   0.032% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  23.26 +/- 1.89   0.003% *  0.4810% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  22.68 +/- 1.66   0.003% *  0.4017% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  23.89 +/- 2.11   0.002% *  0.4313% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  19.98 +/- 1.69   0.007% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  27.44 +/- 1.78   0.001% *  0.4550% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  31.33 +/- 2.54   0.000% *  0.2723% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.04, residual support = 95.6:
      O   QG    GLN   90 - HE21  GLN   90   2.17 +/- 0.10  99.968% * 98.4545% (0.34  10.0   3.04  95.61) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  10.78 +/- 2.72   0.030% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  14.58 +/- 1.90   0.002% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.68 +/- 1.34   0.000% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  25.32 +/- 2.32   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  24.59 +/- 2.07   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.52 +/- 1.64   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.40 +/- 1.82   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  32.59 +/- 2.53   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  29.20 +/- 2.56   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  29.22 +/- 1.73   0.000% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 95.6:
      O   HB2   GLN   90 - HN    GLN   90   3.61 +/- 0.46  99.908% * 99.4917% (0.73  10.0   5.59  95.61) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.60 +/- 1.05   0.086% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  23.73 +/- 1.58   0.002% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  23.06 +/- 1.60   0.002% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  27.01 +/- 2.01   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.35 +/- 1.97   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  31.34 +/- 1.90   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.86, support = 5.47, residual support = 39.4:
          QD2   LEU   73 - HN    PHE   72   3.56 +/- 0.85  84.043% * 90.3255% (0.87   5.53  39.85) =  98.562%  kept
          QG2   VAL   18 - HN    PHE   72   5.55 +/- 0.56  12.963% *  8.4873% (0.34   1.32   6.27) =   1.428%  kept
          QG1   VAL   41 - HN    PHE   72   7.66 +/- 0.95   1.318% *  0.2879% (0.76   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    PHE   72   7.66 +/- 0.72   1.332% *  0.2133% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  11.13 +/- 1.27   0.144% *  0.3636% (0.97   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  13.32 +/- 0.99   0.059% *  0.2285% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.30 +/- 1.34   0.141% *  0.0939% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.56, residual support = 39.5:
          QB    ALA   64 - HN    PHE   72   4.18 +/- 0.29  99.966% * 99.8631% (1.00   2.56  39.53) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.08 +/- 0.57   0.034% *  0.1369% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.27:
          HB    ILE   19 - HN    LYS+  74   4.78 +/- 0.65  96.927% * 95.9634% (0.71   2.61   8.28) =  99.985%  kept
          HB2   GLN   17 - HN    LYS+  74   9.80 +/- 0.78   1.701% *  0.4465% (0.43   0.02   0.02) =   0.008%
          HB3   GLU-  25 - HN    LYS+  74  12.24 +/- 0.84   0.540% *  0.5894% (0.57   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    LYS+  74  12.31 +/- 0.79   0.442% *  0.4465% (0.43   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LYS+  74  16.89 +/- 0.85   0.064% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  17.98 +/- 1.25   0.046% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.08 +/- 1.53   0.080% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  15.68 +/- 1.27   0.114% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.39 +/- 1.38   0.064% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.23 +/- 2.43   0.024% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 4 structures by 0.38 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.42, residual support = 40.9:
          QD1   LEU   73 - HN    LYS+  74   4.59 +/- 0.30  85.975% * 97.1225% (0.37   5.42  40.97) =  99.906%  kept
          QD2   LEU   80 - HN    LYS+  74   7.29 +/- 1.98  10.712% *  0.6104% (0.64   0.02   0.02) =   0.078%
          QG1   VAL   83 - HN    LYS+  74  10.37 +/- 2.28   1.151% *  0.5202% (0.54   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    LYS+  74   9.79 +/- 1.40   1.478% *  0.3581% (0.37   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    LYS+  74  14.22 +/- 1.88   0.161% *  0.5904% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.67 +/- 1.48   0.110% *  0.6791% (0.71   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LYS+  74  11.68 +/- 1.43   0.413% *  0.1192% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.57, residual support = 28.0:
          QG2   THR   77 - HN    ASP-  78   4.00 +/- 0.16  83.489% * 77.7877% (0.34   4.59  28.13) =  99.328%  kept
          HB3   LEU   80 - HN    ASP-  78   7.25 +/- 0.40   2.583% * 16.1186% (0.69   0.47   3.66) =   0.637%  kept
          QB    ALA   84 - HN    ASP-  78   5.53 +/- 0.50  13.573% *  0.1532% (0.15   0.02   0.02) =   0.032%
          QB    ALA   88 - HN    ASP-  78  11.50 +/- 0.62   0.153% *  0.7209% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ASP-  78  11.68 +/- 1.01   0.165% *  0.4451% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  78  21.03 +/- 3.20   0.008% *  0.8903% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  18.88 +/- 0.66   0.008% *  0.8292% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.06 +/- 1.00   0.011% *  0.5620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.91 +/- 2.23   0.007% *  0.2210% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.75 +/- 1.15   0.001% *  0.9927% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.79 +/- 0.59   0.001% *  0.9731% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.07 +/- 1.84   0.001% *  0.3064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.922, support = 0.749, residual support = 0.749:
          QB    ALA   47 - HN    ASP-  78   5.68 +/- 1.90  97.278% * 94.7883% (0.92   0.75   0.75) =  99.921%  kept
          QG1   VAL   42 - HN    ASP-  78  13.70 +/- 0.93   2.643% *  2.6840% (0.98   0.02   0.02) =   0.077%
          HG2   LYS+ 112 - HN    ASP-  78  20.47 +/- 3.57   0.079% *  2.5277% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 10 structures by 1.40 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.609, support = 4.27, residual support = 24.1:
          HB    THR   77 - HN    ASP-  78   4.06 +/- 0.16  75.879% * 37.3164% (0.45   4.59  28.13) =  66.215%  kept
          HA    GLU-  79 - HN    ASP-  78   4.95 +/- 0.13  23.699% * 60.9569% (0.92   3.64  16.14) =  33.783%  kept
          HA    SER   85 - HN    ASP-  78  11.38 +/- 0.61   0.170% *  0.1624% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  13.91 +/- 1.65   0.058% *  0.3615% (1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  13.86 +/- 1.33   0.061% *  0.3249% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  78  11.93 +/- 0.69   0.127% *  0.1360% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  22.54 +/- 1.63   0.003% *  0.2051% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.66 +/- 0.48   0.001% *  0.3497% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  31.10 +/- 3.94   0.001% *  0.1236% (0.34   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.25 +/- 1.84   0.001% *  0.0635% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 38.6:
      O   HA    ASP-  78 - HN    ASP-  78   2.83 +/- 0.03  99.325% * 99.8154% (1.00  10.0   4.57  38.58) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   6.94 +/- 0.23   0.464% *  0.0486% (0.49   1.0   0.02   3.66) =   0.000%
          HA    THR   23 - HN    ASP-  78   8.49 +/- 0.55   0.148% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  10.00 +/- 1.05   0.063% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.96 +/- 1.40   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 8.1, residual support = 216.0:
      O   HA    ILE  119 - HN    ILE  119   2.77 +/- 0.04  78.666% * 50.7779% (1.00  10.0   8.70 255.48) =  82.013%  kept
      O   HA    THR  118 - HN    ILE  119   3.55 +/- 0.04  17.877% * 49.0042% (0.97  10.0   5.34  36.05) =  17.987%  kept
          HA    VAL   75 - HN    CYS   21   5.09 +/- 0.74   3.212% *  0.0028% (0.06   1.0   0.02   2.45) =   0.000%
          HA2   GLY  109 - HN    ILE  119  12.31 +/- 2.06   0.235% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  14.43 +/- 2.05   0.005% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.07 +/- 2.16   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.49 +/- 1.94   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  23.52 +/- 1.95   0.000% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  19.84 +/- 1.36   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.19 +/- 2.54   0.001% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.71 +/- 1.13   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.02 +/- 1.26   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.718, support = 5.48, residual support = 31.6:
          HB2   CYS   53 - HN    ARG+  54   3.12 +/- 0.30  92.765% * 83.7281% (0.72   5.51  31.88) =  98.964%  kept
          HD3   PRO   52 - HN    ARG+  54   5.09 +/- 0.14   5.475% * 14.7929% (0.26   2.67   1.75) =   1.032%  kept
          HD2   PRO   58 - HN    ARG+  54   7.41 +/- 0.92   0.697% *  0.3673% (0.87   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  62   6.78 +/- 0.30   1.027% *  0.0687% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.59 +/- 1.27   0.027% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  20.78 +/- 1.75   0.001% *  0.3451% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.81 +/- 0.96   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.86 +/- 1.69   0.000% *  0.3323% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  23.05 +/- 1.71   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.93 +/- 1.06   0.000% *  0.1357% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.33 +/- 0.95   0.001% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  24.30 +/- 1.54   0.001% *  0.0646% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 1.45, residual support = 3.39:
          QG2   VAL   18 - HN    ALA   61   4.85 +/- 0.71  87.601% * 94.0823% (0.95   1.45   3.40) =  99.835%  kept
          QG2   THR   46 - HN    ALA   61   7.85 +/- 1.49  10.221% *  1.1898% (0.87   0.02   0.02) =   0.147%
          QG1   VAL   43 - HN    ALA   61  12.18 +/- 0.77   0.412% *  1.3686% (1.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HN    ALA   61  10.30 +/- 0.93   1.146% *  0.3420% (0.25   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ALA   61  12.14 +/- 1.05   0.410% *  0.7216% (0.53   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    ALA   61  15.26 +/- 1.15   0.109% *  1.2662% (0.92   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   61  16.70 +/- 1.47   0.074% *  0.5148% (0.38   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ALA   61  19.20 +/- 1.33   0.026% *  0.5148% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 4 structures by 0.42 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 +/- 0.08  95.545% * 98.3834% (0.92   4.96  52.06) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.10 +/- 0.31   3.593% *  0.1196% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    ASN   35   9.59 +/- 0.42   0.581% *  0.4262% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.07 +/- 0.75   0.276% *  0.3122% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.64 +/- 1.17   0.004% *  0.3730% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  29.07 +/- 1.81   0.001% *  0.3856% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 44.0:
      O   QB    MET   11 - HN    MET   11   2.97 +/- 0.41  99.846% * 99.3665% (0.69  10.0   3.00  43.97) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.57 +/- 1.30   0.106% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  17.94 +/- 4.79   0.015% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.77 +/- 1.82   0.031% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  25.60 +/- 5.62   0.001% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  28.94 +/- 4.76   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.19 +/- 1.92   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.53 +/- 2.65   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  38.99 +/- 3.25   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  38.50 +/- 3.33   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.0:
          HG2   MET   11 - HN    MET   11   3.79 +/- 0.83  99.398% * 97.3781% (0.92   3.31  43.97) =  99.997%  kept
          HB2   GLU-  14 - HN    MET   11  10.99 +/- 1.59   0.521% *  0.6025% (0.95   0.02   0.02) =   0.003%
          QB    GLN   32 - HN    MET   11  18.85 +/- 4.17   0.057% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  18.73 +/- 3.43   0.021% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.52 +/- 1.66   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  28.10 +/- 4.59   0.002% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  38.45 +/- 3.96   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  33.27 +/- 2.94   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 44.0:
          HG3   MET   11 - HN    MET   11   3.16 +/- 0.49  99.901% * 98.0255% (0.92   3.31  43.97) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.56 +/- 1.43   0.091% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  20.43 +/- 3.63   0.005% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  22.78 +/- 4.01   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.10 +/- 2.87   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.75 +/- 1.83   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  30.24 +/- 3.62   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  38.27 +/- 3.21   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.953, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  16.83 +/- 3.96  81.252% * 22.9200% (1.00   0.02   0.02) =  88.526%  kept
          HD3   LYS+  74 - HN    MET   11  26.16 +/- 2.99   7.667% * 12.0587% (0.53   0.02   0.02) =   4.395%  kept
          QG    LYS+  81 - HN    MET   11  30.32 +/- 3.98   3.446% * 19.1444% (0.84   0.02   0.02) =   3.136%  kept
          HG2   LYS+ 106 - HN    MET   11  34.31 +/- 3.19   1.689% * 17.5161% (0.76   0.02   0.02) =   1.406%  kept
          HG    LEU  104 - HN    MET   11  30.21 +/- 3.69   2.964% *  8.6021% (0.38   0.02   0.02) =   1.212%  kept
          HB3   LYS+ 121 - HN    MET   11  32.86 +/- 3.32   2.119% *  8.6021% (0.38   0.02   0.02) =   0.867%  kept
          HB3   LYS+ 111 - HN    MET   11  39.16 +/- 2.80   0.862% * 11.1564% (0.49   0.02   0.02) =   0.457%
    Distance limit 4.31 A violated in 20 structures by 11.84 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.6, residual support = 12.1:
          HG2   MET   11 - HN    ALA   12   4.16 +/- 0.28  93.874% * 97.8484% (0.72   3.60  12.08) =  99.964%  kept
          HB2   GLU-  14 - HN    ALA   12   8.02 +/- 1.66   6.021% *  0.5424% (0.72   0.02   0.02) =   0.036%
          HB2   PRO   68 - HN    ALA   12  15.89 +/- 3.21   0.103% *  0.1512% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.64 +/- 1.58   0.001% *  0.5329% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  30.61 +/- 2.62   0.001% *  0.2235% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  35.86 +/- 3.15   0.000% *  0.5329% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  34.13 +/- 2.68   0.000% *  0.0952% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  33.47 +/- 3.04   0.000% *  0.0736% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.77 +/- 0.19  99.981% * 99.1918% (0.68  10.0   2.30  12.40) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  15.66 +/- 3.46   0.013% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  19.66 +/- 2.85   0.002% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.16 +/- 2.11   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.87 +/- 2.01   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.71 +/- 2.72   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.95 +/- 2.37   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.71 +/- 3.67   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.11 +/- 4.60   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.33 +/- 2.36   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.74 +/- 3.31   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.76 +/- 2.33   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  30.60 +/- 2.50   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.19:
          QB    ALA   12 - HN    SER   13   2.60 +/- 0.52  99.964% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.24 +/- 2.64   0.013% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  15.83 +/- 2.09   0.009% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  16.96 +/- 2.13   0.004% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  17.79 +/- 1.84   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  17.95 +/- 2.44   0.004% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.66 +/- 1.99   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.38 +/- 3.23   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  27.58 +/- 3.18   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  26.02 +/- 3.95   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.37 +/- 2.26   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  32.48 +/- 2.05   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  27.49 +/- 2.41   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.47, residual support = 6.68:
          QB    SER   13 - HN    GLU-  14   3.16 +/- 0.64  99.796% * 95.5806% (0.45   2.47   6.68) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  12.24 +/- 2.07   0.120% *  0.9987% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.50 +/- 1.83   0.083% *  0.8213% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  24.98 +/- 1.61   0.001% *  1.1930% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  30.71 +/- 3.51   0.000% *  0.9987% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  28.20 +/- 3.81   0.000% *  0.4078% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.522, support = 3.77, residual support = 43.6:
          QG    GLU-  14 - HN    GLU-  14   3.63 +/- 0.80  76.066% * 71.7980% (0.53   3.98  48.11) =  90.249%  kept
          QG    GLU-  15 - HN    GLU-  14   5.10 +/- 0.84  22.924% * 25.7356% (0.42   1.80   1.43) =   9.749%  kept
          QB    MET   11 - HN    GLU-  14   8.28 +/- 0.58   0.923% *  0.0933% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  12.88 +/- 1.68   0.060% *  0.3940% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  16.26 +/- 2.51   0.016% *  0.3425% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  18.21 +/- 1.72   0.007% *  0.3425% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.50 +/- 1.89   0.002% *  0.4675% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  29.69 +/- 2.58   0.000% *  0.4230% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  24.76 +/- 1.36   0.001% *  0.1176% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.01 +/- 2.54   0.000% *  0.2861% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.75, residual support = 48.1:
      O   HB2   GLU-  14 - HN    GLU-  14   3.16 +/- 0.45  99.501% * 99.6047% (0.70  10.0   3.75  48.11) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.76 +/- 1.30   0.286% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  10.71 +/- 2.59   0.211% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.18 +/- 1.14   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.04 +/- 2.28   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.56 +/- 2.69   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  27.96 +/- 2.93   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  28.95 +/- 2.31   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 3.76, residual support = 48.1:
      O   HB3   GLU-  14 - HN    GLU-  14   3.26 +/- 0.32  99.702% * 99.6986% (0.62  10.0   3.76  48.11) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.41 +/- 1.06   0.289% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.83 +/- 1.67   0.007% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.46 +/- 2.31   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  28.96 +/- 2.10   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.6:
          QG    GLN   17 - HN    GLN   17   2.73 +/- 0.61  99.705% * 98.8145% (1.00   5.50  84.58) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.74 +/- 1.13   0.283% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.67 +/- 1.12   0.004% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.37 +/- 0.62   0.002% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.54 +/- 1.29   0.003% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  19.17 +/- 2.05   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.26 +/- 0.68   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.07, residual support = 82.0:
      O   HB2   GLN   17 - HN    GLN   17   3.65 +/- 0.41  66.477% * 91.6393% (0.92  10.0   5.17  84.58) =  96.996%  kept
          QB    GLU-  15 - HN    GLN   17   4.41 +/- 0.26  23.930% *  7.8595% (0.92   1.0   1.72   0.02) =   2.995%  kept
          HB3   PRO   68 - HN    GLN   17   6.94 +/- 2.31   5.855% *  0.0562% (0.57   1.0   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLN   17   6.65 +/- 0.87   2.913% *  0.0795% (0.80   1.0   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    GLN   17   8.76 +/- 1.70   0.753% *  0.0721% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  11.92 +/- 1.04   0.066% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.00 +/- 0.64   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.44 +/- 1.26   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.50 +/- 2.17   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.6:
      O   HB3   GLN   17 - HN    GLN   17   3.19 +/- 0.36  98.583% * 99.6298% (0.98  10.0   5.17  84.58) =  99.999%  kept
          QB    LYS+  65 - HN    GLN   17   7.46 +/- 0.97   0.958% *  0.0738% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    GLN   17   9.19 +/- 1.29   0.274% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.77 +/- 0.84   0.164% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.54 +/- 0.89   0.009% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.70 +/- 2.20   0.004% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.64 +/- 1.43   0.005% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.46 +/- 1.76   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.96 +/- 0.74   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 1.98, residual support = 6.41:
          QB    GLU-  15 - HN    GLY   16   2.72 +/- 0.50  86.017% * 39.2217% (0.98   1.94   5.99) =  95.889%  kept
          HB2   GLN   17 - HN    GLY   16   5.97 +/- 0.44   2.407% * 58.5886% (0.98   2.90  16.63) =   4.008%  kept
          HB3   PRO   68 - HN    GLY   16   5.71 +/- 2.36  10.645% *  0.3234% (0.78   0.02   0.02) =   0.098%
          HG2   PRO   68 - HN    GLY   16   7.45 +/- 1.78   0.605% *  0.1966% (0.47   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    GLY   16   7.73 +/- 0.97   0.274% *  0.2287% (0.55   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLY   16  12.31 +/- 1.40   0.023% *  0.1660% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.58 +/- 1.63   0.024% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.96 +/- 1.04   0.001% *  0.3821% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  20.80 +/- 1.30   0.001% *  0.2613% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.82 +/- 2.13   0.002% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.91 +/- 2.20   0.002% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.15 +/- 2.12   0.000% *  0.4003% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.24 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   3.60 +/- 0.22  99.722% * 98.7514% (0.70   5.81  50.08) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.36 +/- 1.23   0.245% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  18.41 +/- 0.48   0.006% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.85 +/- 1.02   0.016% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.57 +/- 0.92   0.003% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.95 +/- 1.45   0.008% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.2:
      O   HB    VAL   18 - HN    VAL   18   2.48 +/- 0.46  99.224% * 99.4605% (0.70  10.0   4.99  77.21) = 100.000%  kept
          HB    ILE   19 - HN    VAL   18   6.44 +/- 0.43   0.604% *  0.0305% (0.21   1.0   0.02  22.71) =   0.000%
          HB2   LEU   67 - HN    VAL   18   9.46 +/- 1.09   0.134% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  11.41 +/- 1.66   0.029% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.46 +/- 1.00   0.005% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.39 +/- 1.27   0.002% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.60 +/- 1.89   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.86 +/- 1.39   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.332, support = 5.45, residual support = 49.8:
          HB3   GLN   17 - HN    VAL   18   3.49 +/- 0.56  96.354% * 82.1140% (0.33   5.47  50.08) =  99.467%  kept
          QB    LYS+  65 - HN    VAL   18   6.70 +/- 1.03   3.181% * 13.2312% (0.87   0.34   0.16) =   0.529%  kept
          QB    LYS+  66 - HN    VAL   18   9.76 +/- 0.97   0.268% *  0.7348% (0.81   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    VAL   18  10.77 +/- 0.89   0.149% *  0.7631% (0.84   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    VAL   18  15.38 +/- 1.37   0.019% *  0.5691% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.26 +/- 1.92   0.011% *  0.8719% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.81 +/- 1.59   0.003% *  0.8490% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  18.36 +/- 2.44   0.009% *  0.2194% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  20.86 +/- 1.28   0.003% *  0.4282% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.08 +/- 1.33   0.003% *  0.2194% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.28, residual support = 77.2:
          QG2   VAL   18 - HN    VAL   18   2.41 +/- 0.62  99.071% * 98.3024% (0.91   5.28  77.21) =  99.998%  kept
          QD1   ILE   19 - HN    VAL   18   6.75 +/- 0.87   0.600% *  0.2070% (0.51   0.02  22.71) =   0.001%
          QD2   LEU   73 - HN    VAL   18   7.54 +/- 0.80   0.248% *  0.0981% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  10.49 +/- 1.82   0.051% *  0.3413% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.82 +/- 0.86   0.017% *  0.3926% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.04 +/- 1.21   0.009% *  0.3632% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.33 +/- 0.86   0.002% *  0.1477% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.47 +/- 1.68   0.002% *  0.1477% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 8.75:
          QB    ALA   64 - HN    VAL   18   3.62 +/- 0.73  99.934% * 99.8615% (0.84   2.25   8.75) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.64 +/- 1.35   0.066% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.433, support = 3.63, residual support = 19.1:
          HN    PHE   59 - HN    PHE   60   2.74 +/- 0.10  87.420% * 61.1639% (0.44   3.68  19.26) =  96.332%  kept
          QE    PHE   59 - HN    THR  118   4.39 +/- 0.68   8.176% * 15.5860% (0.16   2.59  10.81) =   2.296%  kept
          QE    PHE   59 - HN    PHE   60   5.55 +/- 1.02   3.868% * 19.6731% (0.28   1.84  19.26) =   1.371%  kept
          HN    HIS  122 - HN    THR  118   6.82 +/- 0.15   0.369% *  0.1591% (0.21   0.02   4.11) =   0.001%
          HN    PHE   59 - HN    THR  118  10.14 +/- 0.79   0.037% *  0.1880% (0.25   0.02  10.81) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.65 +/- 0.33   0.090% *  0.0616% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.07 +/- 0.67   0.013% *  0.2816% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.24 +/- 0.95   0.013% *  0.1320% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.49 +/- 1.11   0.001% *  0.4570% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.38 +/- 0.71   0.001% *  0.7128% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.11 +/- 2.26   0.001% *  0.6034% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  12.96 +/- 1.16   0.010% *  0.0348% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  21.50 +/- 3.69   0.001% *  0.2554% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  26.07 +/- 5.53   0.000% *  0.5472% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  23.08 +/- 4.40   0.000% *  0.1443% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 4.73, residual support = 40.7:
          HN    ALA   61 - HN    PHE   60   2.70 +/- 0.19  99.968% * 94.4832% (0.47   4.73  40.67) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.29 +/- 0.68   0.003% *  0.8556% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.79 +/- 0.66   0.010% *  0.2256% (0.26   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  13.73 +/- 1.86   0.008% *  0.1693% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.71 +/- 1.00   0.002% *  0.6539% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.90 +/- 1.69   0.002% *  0.3958% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.06 +/- 1.60   0.001% *  0.3052% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  21.51 +/- 3.23   0.001% *  0.3464% (0.40   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  20.37 +/- 1.36   0.001% *  0.2237% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  22.41 +/- 3.70   0.000% *  0.1957% (0.23   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  28.54 +/- 4.59   0.000% *  0.7422% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  18.99 +/- 2.35   0.001% *  0.0699% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.51 +/- 1.62   0.000% *  0.8480% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.44 +/- 1.41   0.000% *  0.0790% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.90 +/- 1.59   0.000% *  0.1724% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  26.51 +/- 3.52   0.000% *  0.1498% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  21.96 +/- 2.83   0.000% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.53 +/- 1.74   0.000% *  0.0447% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 72.0:
      O   HB3   PHE   60 - HN    PHE   60   2.90 +/- 0.34  99.515% * 98.9222% (0.47  10.0   4.94  72.02) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.29 +/- 2.10   0.299% *  0.0529% (0.25   1.0   0.02   2.99) =   0.000%
          HB2   PHE   97 - HN    THR  118  10.10 +/- 1.92   0.106% *  0.0294% (0.14   1.0   0.02   1.67) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.94 +/- 1.45   0.035% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.37 +/- 1.31   0.005% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.26 +/- 1.36   0.011% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.60 +/- 1.43   0.015% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.29 +/- 1.01   0.004% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.67 +/- 1.82   0.005% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  19.79 +/- 1.34   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  22.38 +/- 1.85   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.61 +/- 1.63   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  22.23 +/- 1.81   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.23 +/- 1.76   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.45 +/- 2.02   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 19.3:
          HB3   PHE   59 - HN    PHE   60   3.48 +/- 0.49  98.778% * 96.9702% (0.39   4.01  19.26) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   8.13 +/- 0.82   1.205% *  0.2734% (0.22   0.02  10.81) =   0.003%
          HB3   TRP   49 - HN    PHE   60  17.19 +/- 0.83   0.010% *  0.4638% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  19.93 +/- 0.75   0.004% *  1.0367% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.51 +/- 2.35   0.003% *  0.2621% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  29.23 +/- 1.38   0.000% *  0.9938% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.92, residual support = 5.46:
        T HN    SER  117 - HN    THR  118   2.78 +/- 0.15  99.969% * 97.7507% (0.17 10.00   2.92   5.46) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.28 +/- 0.58   0.024% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.59 +/- 1.00   0.005% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  19.88 +/- 1.50   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.36 +/- 0.82   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  28.04 +/- 1.90   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.29, residual support = 37.3:
          QG2   THR  118 - HN    THR  118   3.60 +/- 0.13  99.086% * 99.1637% (0.13   4.29  37.31) =  99.992%  kept
          QG2   THR  118 - HN    PHE   60   8.24 +/- 1.16   0.914% *  0.8363% (0.23   0.02   0.02) =   0.008%
    Distance limit 4.06 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 = 0.135, support = 4.26, residual support = 53.9:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.05  13.885% * 79.4105% (0.22  10.0   4.94  72.02) =  49.744%  kept
      O   HB    THR  118 - HN    THR  118   2.23 +/- 0.16  56.524% * 18.8475% (0.05  10.0   3.61  37.31) =  48.061%  kept
          QB    SER  117 - HN    THR  118   2.50 +/- 0.20  29.571% *  1.6450% (0.03   1.0   3.15   5.46) =   2.195%  kept
          HB    THR  118 - HN    PHE   60   9.56 +/- 0.81   0.011% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.47 +/- 0.95   0.007% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.52   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.75, residual support = 37.3:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.03  86.082% * 76.2546% (0.14  10.0   3.74  37.31) =  99.083%  kept
          HA    ILE  119 - HN    THR  118   5.09 +/- 0.11   2.654% * 22.7495% (0.17   1.0   5.08  36.05) =   0.911%  kept
          HD3   PRO   58 - HN    PHE   60   4.11 +/- 0.37  10.515% *  0.0316% (0.06   1.0   0.02   0.02) =   0.005%
          HA2   GLY  109 - HN    THR  118  11.05 +/- 1.99   0.530% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    PHE   60   8.60 +/- 0.76   0.126% *  0.1620% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.62 +/- 2.74   0.043% *  0.0810% (0.15   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.89 +/- 0.76   0.017% *  0.1381% (0.26   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.64 +/- 1.07   0.008% *  0.0678% (0.13   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.60 +/- 0.82   0.020% *  0.0175% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.91 +/- 1.09   0.002% *  0.1509% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  19.08 +/- 1.20   0.001% *  0.1169% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.93 +/- 2.50   0.001% *  0.0833% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.48 +/- 1.20   0.001% *  0.0374% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  23.08 +/- 2.02   0.000% *  0.0645% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.01, residual support = 19.3:
      O   HA    PHE   59 - HN    PHE   60   3.57 +/- 0.04  84.076% * 99.4803% (0.99  10.0   4.01  19.26) =  99.996%  kept
          HA    ILE   56 - HN    PHE   60   5.24 +/- 0.85  13.267% *  0.0154% (0.15   1.0   0.02   3.89) =   0.002%
          HA    ASP- 113 - HN    THR  118   6.83 +/- 0.61   2.040% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.89 +/- 0.86   0.411% *  0.0802% (0.80   1.0   0.02  10.81) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.48 +/- 0.80   0.050% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.94 +/- 1.15   0.118% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.12 +/- 0.70   0.005% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  17.24 +/- 2.21   0.009% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  19.04 +/- 1.97   0.004% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  22.21 +/- 2.43   0.002% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.00 +/- 1.98   0.006% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  23.57 +/- 2.89   0.001% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  17.72 +/- 1.72   0.007% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  24.29 +/- 1.51   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.94 +/- 1.88   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.88 +/- 1.32   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.43 +/- 1.11   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  30.18 +/- 3.62   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.49 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.893, support = 4.75, residual support = 65.0:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.05  33.216% * 94.1660% (0.96  10.0   4.94  72.02) =  89.441%  kept
          QB    SER  117 - HN    THR  118   2.50 +/- 0.20  66.595% *  5.5449% (0.36   1.0   3.15   5.46) =  10.559%  kept
          HA    LYS+ 121 - HN    THR  118   6.97 +/- 0.38   0.150% *  0.0138% (0.14   1.0   0.02   8.47) =   0.000%
          HA    PHE   60 - HN    THR  118  10.47 +/- 0.95   0.017% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.52   0.007% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.94 +/- 1.44   0.007% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.38 +/- 0.97   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.76 +/- 1.03   0.001% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.64 +/- 1.12   0.003% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.85 +/- 0.64   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.37 +/- 1.75   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.41 +/- 1.34   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  22.91 +/- 2.19   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.15 +/- 1.48   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.24 +/- 1.28   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.398, support = 2.5, residual support = 9.13:
          QG    GLU-  14 - HN    GLU-  15   3.27 +/- 0.71  55.133% * 13.8475% (0.36   2.13   1.43) =  52.895%  kept
          QG    GLU-  15 - HN    GLU-  15   3.59 +/- 0.65  38.299% * 12.5485% (0.32   2.22  11.02) =  33.297%  kept
          HG12  ILE  119 - HN    THR  118   5.52 +/- 0.39   3.061% * 61.5117% (0.72   4.80  36.05) =  13.046%  kept
          HG12  ILE  119 - HN    PHE   60   6.56 +/- 0.69   1.420% *  7.5319% (0.89   0.47   0.02) =   0.741%  kept
          HB2   ASP-  44 - HN    PHE   60   7.56 +/- 1.22   0.563% *  0.3177% (0.89   0.02   0.62) =   0.012%
          HB3   PHE   72 - HN    PHE   60   9.13 +/- 1.25   0.143% *  0.3419% (0.96   0.02   9.07) =   0.003%
          HB2   ASP- 105 - HN    THR  118   7.18 +/- 2.60   1.110% *  0.0386% (0.11   0.02   5.05) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  10.14 +/- 1.39   0.100% *  0.1360% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    THR  118  13.74 +/- 1.19   0.015% *  0.2561% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.82 +/- 1.12   0.077% *  0.0481% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  14.20 +/- 2.30   0.021% *  0.1457% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.16 +/- 1.15   0.007% *  0.2756% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.58 +/- 0.89   0.006% *  0.2837% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  16.99 +/- 1.57   0.003% *  0.3271% (0.91   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  18.51 +/- 1.35   0.002% *  0.3512% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.58 +/- 1.41   0.016% *  0.0479% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.63 +/- 1.25   0.006% *  0.1264% (0.35   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.46 +/- 1.70   0.005% *  0.1174% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  19.82 +/- 1.48   0.002% *  0.2286% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.18 +/- 1.46   0.005% *  0.0741% (0.21   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  21.50 +/- 1.46   0.001% *  0.2830% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  19.57 +/- 1.60   0.001% *  0.1264% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.05 +/- 1.78   0.001% *  0.2636% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  22.66 +/- 1.46   0.001% *  0.1864% (0.52   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.14 +/- 1.49   0.000% *  0.1209% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  27.86 +/- 1.70   0.000% *  0.1397% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.98 +/- 1.34   0.000% *  0.1502% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.33 +/- 1.14   0.001% *  0.0191% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.37 +/- 1.96   0.000% *  0.0579% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.51 +/- 1.79   0.000% *  0.0974% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.0772, support = 2.07, residual support = 10.7:
      O   QB    GLU-  15 - HN    GLU-  15   3.06 +/- 0.24  85.157% * 49.3141% (0.06  10.0   2.11  11.02) =  97.082%  kept
          QB    GLU- 114 - HN    THR  118   4.85 +/- 0.73   7.832% * 10.1148% (0.48   1.0   0.51   0.02) =   1.831%  kept
          HG3   PRO   58 - HN    PHE   60   6.20 +/- 0.32   1.384% * 32.6232% (0.89   1.0   0.91   0.02) =   1.044%  kept
          HB2   LEU  115 - HN    THR  118   5.79 +/- 0.23   2.075% *  0.5618% (0.69   1.0   0.02   0.02) =   0.027%
          HB2   LEU  115 - HN    PHE   60   7.65 +/- 0.91   0.475% *  0.6971% (0.86   1.0   0.02   0.02) =   0.008%
          HB2   GLN   17 - HN    GLU-  15   6.07 +/- 0.76   2.063% *  0.0493% (0.06   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLU-  15   8.46 +/- 1.12   0.324% *  0.2195% (0.27   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    PHE   60   9.02 +/- 0.95   0.196% *  0.2004% (0.25   1.0   0.02   1.01) =   0.001%
          HG2   PRO   68 - HN    GLU-  15  10.43 +/- 2.09   0.132% *  0.2443% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.60 +/- 1.15   0.069% *  0.3912% (0.48   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  10.85 +/- 1.16   0.055% *  0.4874% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    THR  118  13.03 +/- 1.33   0.018% *  0.5808% (0.72   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  13.44 +/- 1.09   0.016% *  0.5520% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  12.74 +/- 1.98   0.025% *  0.3153% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  11.57 +/- 1.57   0.048% *  0.1556% (0.19   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15   9.94 +/- 0.57   0.085% *  0.0797% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.16 +/- 1.04   0.007% *  0.6142% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.64 +/- 1.01   0.021% *  0.1240% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  17.35 +/- 1.98   0.003% *  0.4950% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.74 +/- 1.06   0.006% *  0.1240% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  19.99 +/- 1.11   0.001% *  0.4449% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.62 +/- 1.50   0.003% *  0.1615% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.49 +/- 0.82   0.001% *  0.2866% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  20.11 +/- 1.44   0.001% *  0.0999% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  23.68 +/- 1.11   0.000% *  0.2772% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.58 +/- 1.75   0.001% *  0.2234% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.28 +/- 1.20   0.001% *  0.0889% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.71 +/- 1.29   0.001% *  0.0999% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  23.94 +/- 1.39   0.000% *  0.1939% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.70 +/- 1.82   0.000% *  0.1801% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0922, support = 2.17, residual support = 3.88:
          QG1   ILE   56 - HN    PHE   60   3.67 +/- 0.88  94.304% * 44.9878% (0.09   2.17   3.89) =  99.851%  kept
          HG3   PRO   93 - HN    PHE   60   9.42 +/- 1.93   1.047% *  1.6016% (0.36   0.02   0.02) =   0.039%
          QD    LYS+ 106 - HN    THR  118   9.17 +/- 1.51   1.002% *  0.9892% (0.22   0.02   2.99) =   0.023%
          HD2   LYS+ 111 - HN    THR  118  10.17 +/- 1.45   0.690% *  1.1609% (0.26   0.02   0.02) =   0.019%
          HB2   LEU  123 - HN    THR  118   9.19 +/- 0.62   0.690% *  0.9483% (0.21   0.02   0.02) =   0.015%
          HB2   LEU   73 - HN    GLU-  15  13.17 +/- 1.52   0.093% *  4.3337% (0.97   0.02   0.02) =   0.009%
          HB2   LEU   73 - HN    PHE   60  12.88 +/- 1.17   0.171% *  2.0226% (0.45   0.02   2.05) =   0.008%
          HB3   MET   92 - HN    PHE   60  12.74 +/- 1.87   0.147% *  2.0958% (0.47   0.02   0.02) =   0.007%
          QG1   ILE   56 - HN    THR  118   8.54 +/- 0.81   1.308% *  0.2344% (0.05   0.02   0.02) =   0.007%
          HD2   LYS+ 111 - HN    PHE   60  14.11 +/- 2.16   0.070% *  2.0543% (0.46   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    PHE   60  13.62 +/- 1.04   0.079% *  1.7505% (0.39   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   60  14.03 +/- 1.03   0.072% *  1.6782% (0.37   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    GLU-  15  17.15 +/- 1.66   0.020% *  3.5957% (0.80   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    THR  118  14.88 +/- 1.92   0.071% *  0.9483% (0.21   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    THR  118  13.49 +/- 2.57   0.061% *  0.9051% (0.20   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    THR  118  14.75 +/- 1.58   0.040% *  1.1843% (0.26   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.58 +/- 3.58   0.012% *  3.5957% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.82 +/- 1.40   0.018% *  1.6782% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  17.06 +/- 1.99   0.026% *  0.9997% (0.22   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    THR  118  18.40 +/- 1.50   0.017% *  1.1429% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  17.31 +/- 2.04   0.027% *  0.6705% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  22.41 +/- 2.29   0.004% *  3.7508% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.02 +/- 2.50   0.005% *  2.5423% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.28 +/- 1.82   0.007% *  1.1865% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  24.16 +/- 1.84   0.002% *  3.4318% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  18.95 +/- 1.10   0.008% *  0.8887% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  26.93 +/- 1.59   0.001% *  4.4905% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.15 +/- 2.28   0.001% *  4.4016% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.80 +/- 1.16   0.004% *  0.4666% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.70 +/- 1.48   0.006% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 1 structures by 0.12 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 40.4:
          QB    ALA   61 - HN    PHE   60   4.30 +/- 0.21  62.761% * 72.6156% (0.25   2.67  40.67) =  99.370%  kept
          HG12  ILE   19 - HN    GLU-  15   6.99 +/- 1.14   5.753% *  1.8510% (0.84   0.02   0.02) =   0.232%
          HD3   LYS+ 121 - HN    THR  118   6.05 +/- 1.53  17.800% *  0.5395% (0.24   0.02   8.47) =   0.209%
          QB    ALA   12 - HN    GLU-  15   7.41 +/- 0.97   3.833% *  0.8317% (0.38   0.02   0.02) =   0.070%
          QB    ALA  110 - HN    PHE   60   9.34 +/- 2.64   3.570% *  0.7904% (0.36   0.02   0.02) =   0.062%
          QB    ALA  110 - HN    THR  118   9.23 +/- 1.80   1.839% *  0.4467% (0.20   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    PHE   60   8.68 +/- 1.24   1.424% *  0.2303% (0.10   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    PHE   60  11.04 +/- 1.42   0.340% *  0.9275% (0.42   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    GLU-  15  11.72 +/- 1.69   0.277% *  0.8317% (0.38   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    GLU-  15  11.55 +/- 0.64   0.186% *  1.1659% (0.53   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    THR  118  10.40 +/- 1.76   1.365% *  0.1301% (0.06   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  13.58 +/- 1.12   0.075% *  1.9874% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  11.60 +/- 1.13   0.199% *  0.3882% (0.18   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    PHE   60  14.07 +/- 1.37   0.066% *  0.9547% (0.43   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.60 +/- 1.38   0.050% *  0.8639% (0.39   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.35 +/- 1.04   0.080% *  0.4934% (0.22   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.53 +/- 0.55   0.112% *  0.3075% (0.14   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  17.12 +/- 1.55   0.020% *  1.4336% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    THR  118  13.11 +/- 1.88   0.111% *  0.2193% (0.10   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.92 +/- 1.34   0.027% *  0.6691% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.74 +/- 1.62   0.047% *  0.3781% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.37 +/- 1.43   0.012% *  1.0251% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  22.67 +/- 3.09   0.006% *  2.0457% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  21.57 +/- 3.23   0.005% *  1.6092% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  22.50 +/- 2.66   0.004% *  2.1964% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.64 +/- 1.50   0.010% *  0.7510% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.60 +/- 2.71   0.004% *  1.6936% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.42 +/- 1.32   0.008% *  0.5242% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.11 +/- 1.84   0.005% *  0.4882% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  20.58 +/- 1.69   0.006% *  0.3882% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.36 +/- 1.85   0.002% *  0.5793% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.89 +/- 2.03   0.002% *  0.4244% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  25.58 +/- 2.20   0.002% *  0.2193% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.7, residual support = 25.4:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  99.324% * 99.2769% (0.89  10.0   3.70  25.44) = 100.000%  kept
          QG2   THR   23 - HN    LEU   80   6.34 +/- 0.89   0.160% *  0.0983% (0.89   1.0   0.02   7.37) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.52 +/- 0.62   0.300% *  0.0221% (0.20   1.0   0.02   0.60) =   0.000%
          QG2   THR   39 - HN    ALA   34   6.27 +/- 0.75   0.185% *  0.0308% (0.28   1.0   0.02   8.62) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.20 +/- 0.42   0.012% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  10.20 +/- 1.85   0.015% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.16 +/- 0.86   0.002% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.58 +/- 2.08   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.14 +/- 1.50   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.20 +/- 1.38   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.66 +/- 0.81   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.92 +/- 1.46   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.71 +/- 1.26   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  27.55 +/- 2.13   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.51, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.016% * 82.6944% (0.56  10.0   3.51  25.44) =  99.342%  kept
          HA    LYS+  81 - HN    LEU   80   4.85 +/- 0.13   3.299% * 15.9282% (0.47   1.0   4.63  30.55) =   0.657%  kept
          HA    GLU-  36 - HN    ALA   34   6.88 +/- 0.06   0.400% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.66 +/- 0.24   0.213% *  0.1116% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  11.10 +/- 2.82   0.056% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.09 +/- 1.51   0.010% *  0.1000% (0.68   1.0   0.02   1.54) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.17 +/- 2.42   0.003% *  0.1282% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.45 +/- 5.80   0.001% *  0.1348% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.05 +/- 1.82   0.001% *  0.0741% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.01 +/- 1.43   0.000% *  0.0950% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.41 +/- 2.23   0.000% *  0.0768% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.29 +/- 1.30   0.000% *  0.1061% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.48 +/- 3.52   0.000% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.20 +/- 1.84   0.000% *  0.1432% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.69 +/- 1.92   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.32 +/- 1.91   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.44 +/- 2.65   0.000% *  0.1208% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.47 +/- 1.06   0.000% *  0.0364% (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 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.974, support = 6.85, residual support = 41.8:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  72.907% * 91.1461% (0.99  10.0   6.89  42.81) =  97.676%  kept
          HA    GLN   32 - HN    ALA   34   4.45 +/- 0.19  20.434% *  7.7202% (0.34   1.0   4.92   0.11) =   2.319%  kept
          HB2   SER   82 - HN    LEU   80   6.84 +/- 0.45   1.669% *  0.0779% (0.85   1.0   0.02   0.15) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.01 +/- 0.40   1.427% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.28 +/- 0.57   3.018% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.66 +/- 2.38   0.286% *  0.0500% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.78 +/- 1.06   0.122% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.63 +/- 0.71   0.026% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.63 +/- 0.43   0.065% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.95 +/- 1.37   0.011% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.15 +/- 1.66   0.010% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.98 +/- 3.81   0.003% *  0.0870% (0.94   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.55 +/- 1.50   0.013% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.31 +/- 1.88   0.002% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.26 +/- 1.56   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.69 +/- 1.64   0.003% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.55 +/- 2.50   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.30 +/- 1.50   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.49 +/- 0.97   0.001% *  0.0558% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.98 +/- 3.28   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.33 +/- 1.68   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.93 +/- 1.54   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.759, support = 5.5, residual support = 42.2:
          HG3   LYS+  33 - HN    ALA   34   3.54 +/- 0.41  87.696% * 83.1372% (0.76   5.57  42.81) =  98.469%  kept
          QB    ALA   84 - HN    LEU   80   5.21 +/- 0.32  10.787% * 10.4784% (0.54   0.99   0.02) =   1.527%  kept
          HB3   LEU   73 - HN    ALA   34   9.85 +/- 0.65   0.238% *  0.3505% (0.89   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  10.32 +/- 0.65   0.188% *  0.3264% (0.83   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ALA   34  14.70 +/- 2.80   0.243% *  0.1467% (0.37   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   34   9.13 +/- 1.12   0.434% *  0.0684% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  11.68 +/- 1.80   0.094% *  0.3139% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.99 +/- 1.20   0.120% *  0.1902% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  13.74 +/- 1.72   0.048% *  0.2264% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  15.57 +/- 1.40   0.017% *  0.3607% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.66 +/- 1.38   0.053% *  0.0873% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  18.17 +/- 1.12   0.006% *  0.3899% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  17.38 +/- 1.42   0.007% *  0.2924% (0.75   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  18.63 +/- 2.14   0.005% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.02 +/- 0.90   0.012% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.00 +/- 1.43   0.004% *  0.3264% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.54 +/- 2.31   0.004% *  0.2675% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.12 +/- 5.14   0.007% *  0.1467% (0.37   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  18.87 +/- 2.39   0.005% *  0.1704% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  21.16 +/- 1.82   0.003% *  0.3492% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  21.83 +/- 1.56   0.002% *  0.2924% (0.75   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.70 +/- 1.61   0.002% *  0.2528% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  22.82 +/- 3.95   0.004% *  0.1314% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  18.02 +/- 1.23   0.007% *  0.0684% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  17.76 +/- 2.00   0.007% *  0.0613% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  24.48 +/- 3.09   0.001% *  0.3378% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.27 +/- 1.07   0.004% *  0.0613% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  26.72 +/- 1.91   0.001% *  0.3231% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.43 +/- 1.30   0.000% *  0.3771% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.76 +/- 2.44   0.001% *  0.1314% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.85, residual support = 42.2:
          QB    LYS+  33 - HN    ALA   34   2.96 +/- 0.25  93.573% * 47.7658% (0.72   5.92  42.81) =  97.159%  kept
          QB    LYS+  81 - HN    LEU   80   5.54 +/- 0.19   2.346% * 38.6863% (0.78   4.48  30.55) =   1.973%  kept
          HB3   GLN   30 - HN    ALA   34   5.50 +/- 0.72   3.876% * 10.3024% (0.69   1.35   0.48) =   0.868%  kept
          HB3   LYS+  38 - HN    ALA   34   9.00 +/- 0.22   0.130% *  0.1927% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  12.48 +/- 1.19   0.023% *  0.1593% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  14.02 +/- 1.94   0.011% *  0.1367% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.54 +/- 2.16   0.011% *  0.1047% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.29 +/- 1.00   0.004% *  0.1992% (0.89   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.26 +/- 2.62   0.006% *  0.1126% (0.51   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.07 +/- 1.60   0.003% *  0.1784% (0.80   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  16.21 +/- 1.14   0.004% *  0.1169% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.58 +/- 1.82   0.003% *  0.1445% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.93 +/- 1.76   0.002% *  0.1920% (0.86   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.30 +/- 1.56   0.002% *  0.1347% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.99 +/- 1.29   0.002% *  0.1081% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  21.29 +/- 1.94   0.001% *  0.1927% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.68 +/- 2.48   0.001% *  0.1047% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.42 +/- 2.12   0.001% *  0.1207% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.08 +/- 1.19   0.000% *  0.2144% (0.96   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.08 +/- 1.29   0.001% *  0.0679% (0.30   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.94 +/- 1.31   0.000% *  0.1169% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.10 +/- 1.54   0.000% *  0.1779% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.02 +/- 1.65   0.000% *  0.1726% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.41 +/- 1.91   0.000% *  0.1258% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.24 +/- 1.72   0.000% *  0.0968% (0.44   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.91 +/- 1.50   0.000% *  0.0758% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.501, support = 7.09, residual support = 76.3:
      O   HA    LEU   80 - HN    LEU   80   2.86 +/- 0.03  90.442% * 70.8861% (0.50  10.0   7.17  77.48) =  98.369%  kept
          HA    ASP-  78 - HN    LEU   80   5.21 +/- 0.47   3.399% * 22.3092% (0.94   1.0   3.32   3.66) =   1.163%  kept
          HA    THR   23 - HN    LEU   80   5.13 +/- 1.35   4.752% *  6.3996% (0.85   1.0   1.06   7.37) =   0.467%
          HB    THR   23 - HN    LEU   80   6.52 +/- 1.60   1.397% *  0.0506% (0.36   1.0   0.02   7.37) =   0.001%
          HA    THR   23 - HN    ALA   34  15.50 +/- 0.51   0.004% *  0.0999% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.26 +/- 0.50   0.003% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  19.21 +/- 2.54   0.001% *  0.0586% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.68 +/- 0.78   0.000% *  0.1112% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.90 +/- 0.95   0.001% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.34 +/- 1.88   0.000% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.52, residual support = 49.0:
      O   HA    GLU-  79 - HN    LEU   80   3.64 +/- 0.01  94.417% * 98.8868% (0.76  10.0   5.52  48.96) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.25 +/- 0.57   4.120% *  0.0381% (0.29   1.0   0.02   0.60) =   0.002%
          HA    THR   39 - HN    ALA   34   7.70 +/- 0.49   1.148% *  0.0886% (0.68   1.0   0.02   8.62) =   0.001%
          HA    SER   85 - HN    LEU   80  10.57 +/- 0.26   0.159% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.60 +/- 1.25   0.065% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.52 +/- 1.11   0.012% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  14.11 +/- 0.88   0.029% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.76 +/- 1.78   0.009% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.46 +/- 0.35   0.016% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.32 +/- 3.59   0.011% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.60 +/- 0.92   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.88 +/- 1.39   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  24.16 +/- 1.75   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.84 +/- 2.08   0.002% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.73 +/- 0.94   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  24.42 +/- 3.43   0.001% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.62 +/- 1.13   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.43 +/- 4.90   0.001% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  26.54 +/- 1.91   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  28.05 +/- 1.45   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.789, support = 5.51, residual support = 48.4:
          HB3   GLU-  79 - HN    LEU   80   2.70 +/- 0.63  95.211% * 76.8253% (0.79   5.56  48.96) =  98.849%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.21   4.079% * 20.8395% (0.70   1.70   0.02) =   1.149%  kept
          HB3   GLU-  29 - HN    ALA   34   8.06 +/- 0.65   0.369% *  0.2730% (0.78   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34   9.60 +/- 0.94   0.107% *  0.2091% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.60 +/- 0.23   0.177% *  0.0845% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.11 +/- 1.49   0.043% *  0.3055% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.68 +/- 1.46   0.008% *  0.2529% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.60 +/- 1.43   0.005% *  0.3302% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.44 +/- 1.13   0.001% *  0.2285% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.48 +/- 1.81   0.001% *  0.2968% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.47 +/- 1.68   0.000% *  0.2526% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  27.23 +/- 1.66   0.000% *  0.1021% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.71 +/- 0.02  99.991% * 98.7794% (0.80 10.00   4.04  18.79) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.24 +/- 1.85   0.000% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.10 +/- 3.24   0.003% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.67   0.004% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.13 +/- 1.64   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.12 +/- 4.27   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.01 +/- 1.86   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.60 +/- 0.90   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.17, residual support = 30.5:
          HN    LYS+  81 - HN    LEU   80   3.52 +/- 0.17  98.938% * 98.3576% (0.89   5.17  30.55) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.75 +/- 1.53   0.630% *  0.0949% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    LEU   80  10.84 +/- 2.57   0.371% *  0.0850% (0.20   0.02   7.82) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.39 +/- 0.83   0.036% *  0.3056% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.16 +/- 1.46   0.013% *  0.3412% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.49 +/- 2.07   0.002% *  0.4251% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  19.01 +/- 1.00   0.004% *  0.1315% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.49 +/- 1.45   0.004% *  0.0668% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.06 +/- 1.18   0.001% *  0.1178% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.40 +/- 1.39   0.001% *  0.0746% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.711, support = 1.06, residual support = 3.11:
          HA    GLN   30 - HN    ALA   34   4.50 +/- 0.50  52.643% * 30.8313% (0.80   0.90   0.48) =  58.748%  kept
          HB    THR   39 - HN    ALA   34   5.38 +/- 0.71  23.238% * 39.0214% (0.61   1.50   8.62) =  32.822%  kept
          HB3   SER   37 - HN    ALA   34   5.32 +/- 0.53  21.134% *  9.3134% (0.45   0.48   0.02) =   7.125%  kept
          HB3   SER   82 - HN    LEU   80   7.47 +/- 0.38   2.461% * 14.5637% (0.82   0.41   0.15) =   1.297%  kept
          HA    ILE   89 - HN    LEU   80  10.97 +/- 0.93   0.277% *  0.3445% (0.40   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   34  14.46 +/- 2.41   0.082% *  0.5549% (0.65   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    LEU   80  14.05 +/- 1.47   0.081% *  0.2884% (0.34   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  16.07 +/- 1.71   0.028% *  0.6152% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.89 +/- 1.65   0.022% *  0.6665% (0.78   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  20.18 +/- 4.17   0.010% *  0.7919% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.82 +/- 1.88   0.004% *  0.4660% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  23.32 +/- 2.78   0.003% *  0.4970% (0.58   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  23.36 +/- 2.65   0.003% *  0.3846% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  23.63 +/- 1.69   0.003% *  0.3445% (0.40   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.36 +/- 1.79   0.001% *  0.7441% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  22.03 +/- 1.56   0.004% *  0.1324% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  25.46 +/- 0.75   0.002% *  0.3219% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.98 +/- 1.47   0.003% *  0.1185% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.747, support = 1.76, residual support = 4.62:
          HA    LEU   31 - HN    ALA   34   3.04 +/- 0.21  79.462% * 86.0510% (0.76   1.81   4.77) =  96.346%  kept
          HA    THR   77 - HN    LEU   80   4.04 +/- 0.78  20.533% * 12.6290% (0.34   0.60   0.60) =   3.654%  kept
          HA    LEU   31 - HN    LEU   80  16.93 +/- 1.85   0.004% *  0.8525% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.80 +/- 0.86   0.001% *  0.4674% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.357, support = 2.87, residual support = 4.41:
          HA    ASP-  78 - HN    LEU   80   5.21 +/- 0.47  35.115% * 78.6769% (0.40   3.32   3.66) =  80.563%  kept
          HA    THR   23 - HN    LEU   80   5.13 +/- 1.35  54.422% * 11.0837% (0.18   1.06   7.37) =  17.589%  kept
          HA    VAL   41 - HN    ALA   34   6.63 +/- 0.44   7.940% *  7.7539% (0.17   0.75   9.31) =   1.795%  kept
          HA    PHE   45 - HN    LEU   80   8.62 +/- 1.15   2.425% *  0.7264% (0.61   0.02   0.02) =   0.051%
          HA    PHE   45 - HN    ALA   34  16.99 +/- 0.41   0.026% *  0.8110% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.50 +/- 0.51   0.046% *  0.2337% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.90 +/- 1.67   0.022% *  0.1852% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.68 +/- 0.78   0.004% *  0.5293% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 3.44, residual support = 12.0:
          HB2   ASP-  76 - HN    LEU   80   4.03 +/- 0.66  68.535% * 26.9766% (0.75   2.87   3.47) =  63.148%  kept
          QE    LYS+  33 - HN    ALA   34   5.12 +/- 0.57  18.539% * 34.0316% (0.52   5.15  42.81) =  21.549%  kept
          HB2   ASP-  78 - HN    LEU   80   5.70 +/- 0.46  11.889% * 37.6779% (0.88   3.41   3.66) =  15.300%  kept
          HB2   ASN   28 - HN    ALA   34   9.39 +/- 0.37   0.465% *  0.1034% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  13.89 +/- 1.30   0.066% *  0.1826% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    LEU   80   9.91 +/- 0.54   0.394% *  0.0305% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  13.11 +/- 1.15   0.066% *  0.0926% (0.37   0.02   1.54) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.41 +/- 2.06   0.013% *  0.1185% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.85 +/- 1.08   0.007% *  0.2100% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.27 +/- 1.37   0.008% *  0.0699% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.54 +/- 1.07   0.002% *  0.2464% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  19.66 +/- 1.64   0.006% *  0.0626% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.58 +/- 4.46   0.008% *  0.0340% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.75 +/- 1.53   0.001% *  0.1635% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.42, residual support = 49.0:
          HB2   GLU-  79 - HN    LEU   80   2.96 +/- 0.66  98.537% * 94.5792% (0.44   5.42  48.96) =  99.995%  kept
          HG3   GLU-  36 - HN    ALA   34   7.09 +/- 0.56   1.378% *  0.2730% (0.34   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU   80  11.81 +/- 0.87   0.043% *  0.7026% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.03 +/- 0.42   0.010% *  0.7845% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.39 +/- 1.62   0.008% *  0.6218% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.58 +/- 2.12   0.017% *  0.2445% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.68 +/- 1.13   0.002% *  0.3896% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.29 +/- 2.24   0.002% *  0.2947% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.28 +/- 1.24   0.001% *  0.3290% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.11 +/- 1.51   0.001% *  0.2690% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.86 +/- 1.96   0.000% *  0.6942% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.34 +/- 1.44   0.000% *  0.3004% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.99 +/- 1.77   0.000% *  0.2445% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.31 +/- 1.01   0.000% *  0.2730% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.772, support = 5.49, residual support = 48.1:
          HB3   GLU-  79 - HN    LEU   80   2.70 +/- 0.63  89.902% * 68.8284% (0.78   5.56  48.96) =  98.151%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.21   3.579% * 21.6754% (0.80   1.70   0.02) =   1.230%  kept
          QB    GLN   32 - HN    ALA   34   4.83 +/- 0.14   4.906% *  7.9260% (0.17   2.84   0.11) =   0.617%  kept
          HB    VAL   24 - HN    LEU   80   6.61 +/- 1.20   1.074% *  0.0636% (0.20   0.02   9.00) =   0.001%
          HB3   GLU-  29 - HN    ALA   34   8.06 +/- 0.65   0.324% *  0.1552% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34  10.88 +/- 1.97   0.062% *  0.1552% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.60 +/- 0.94   0.095% *  0.0558% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.11 +/- 1.49   0.036% *  0.0881% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.60 +/- 1.43   0.004% *  0.1390% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.84 +/- 0.38   0.006% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.68 +/- 1.46   0.007% *  0.0500% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.44 +/- 1.13   0.001% *  0.2765% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.48 +/- 1.81   0.001% *  0.2286% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.69 +/- 1.40   0.003% *  0.0500% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  26.36 +/- 1.94   0.000% *  0.1390% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.47 +/- 1.68   0.000% *  0.0984% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.261, residual support = 0.521:
          QG1   VAL   75 - HN    LEU   80   4.64 +/- 1.15  99.422% * 78.0333% (0.68   0.26   0.52) =  99.949%  kept
          QG1   VAL   75 - HN    ALA   34  13.25 +/- 0.84   0.437% *  6.6772% (0.76   0.02   0.02) =   0.038%
          QD1   LEU  115 - HN    LEU   80  17.72 +/- 1.52   0.109% *  7.2240% (0.82   0.02   0.02) =   0.010%
          QD1   LEU  115 - HN    ALA   34  20.95 +/- 1.49   0.032% *  8.0655% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 2 structures by 0.43 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 = 0.249, support = 6.94, residual support = 77.0:
          QD1   LEU   80 - HN    LEU   80   2.27 +/- 0.72  80.389% * 26.4508% (0.18   7.12  77.48) =  67.699%  kept
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.62  17.715% * 56.0788% (0.40   6.67  77.48) =  31.629%  kept
          QG2   VAL   41 - HN    ALA   34   5.20 +/- 0.58   1.467% * 14.2908% (0.34   2.00   9.31) =   0.668%  kept
          QD1   LEU   73 - HN    ALA   34   6.08 +/- 0.73   0.316% *  0.3499% (0.83   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ALA   34   8.25 +/- 0.98   0.071% *  0.0829% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.64 +/- 1.19   0.015% *  0.3134% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  15.15 +/- 1.61   0.002% *  0.3757% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.19 +/- 1.54   0.002% *  0.3499% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.99 +/- 2.68   0.004% *  0.1878% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.22 +/- 1.01   0.008% *  0.1045% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.96 +/- 1.56   0.002% *  0.3134% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.96 +/- 1.52   0.002% *  0.1280% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.83 +/- 1.34   0.001% *  0.3365% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  14.67 +/- 2.76   0.002% *  0.0829% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  14.77 +/- 1.76   0.002% *  0.0743% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.65 +/- 1.99   0.001% *  0.1827% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.37 +/- 2.06   0.000% *  0.2039% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.49 +/- 2.22   0.000% *  0.0936% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.667, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.44 +/- 4.38  19.803% * 31.5414% (1.00   0.02   0.02) =  44.842%  kept
          HB3   LEU  104 - HN    ALA   34  16.79 +/- 1.62  54.140% *  7.0378% (0.22   0.02   0.02) =  27.355%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.75 +/- 2.31  12.483% * 14.1725% (0.45   0.02   0.02) =  12.701%  kept
          QD2   LEU  123 - HN    LEU   80  25.39 +/- 1.91   4.726% * 28.2508% (0.89   0.02   0.02) =   9.585%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.11 +/- 1.68   3.298% * 12.6939% (0.40   0.02   0.02) =   3.005%  kept
          HB3   LEU  104 - HN    LEU   80  24.97 +/- 2.12   5.551% *  6.3036% (0.20   0.02   0.02) =   2.512%  kept
    Distance limit 4.40 A violated in 20 structures by 10.64 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.742, support = 5.87, residual support = 42.4:
          QB    LYS+  33 - HN    ALA   34   2.96 +/- 0.25  93.573% * 46.9524% (0.74   5.92  42.81) =  97.246%  kept
          QB    LYS+  81 - HN    LEU   80   5.54 +/- 0.19   2.346% * 45.3417% (0.94   4.48  30.55) =   2.354%  kept
          HB3   GLN   30 - HN    ALA   34   5.50 +/- 0.72   3.876% *  4.6526% (0.32   1.35   0.48) =   0.399%
          HB3   LYS+  38 - HN    ALA   34   9.00 +/- 0.22   0.130% *  0.1017% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.48 +/- 1.19   0.023% *  0.1987% (0.93   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.26 +/- 2.62   0.006% *  0.1693% (0.79   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  14.02 +/- 1.94   0.011% *  0.0833% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.29 +/- 1.00   0.004% *  0.1676% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.54 +/- 2.16   0.011% *  0.0564% (0.26   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.07 +/- 1.60   0.003% *  0.2027% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  16.21 +/- 1.14   0.004% *  0.1342% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.58 +/- 1.82   0.003% *  0.1918% (0.89   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.93 +/- 1.76   0.002% *  0.1549% (0.72   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.30 +/- 1.56   0.002% *  0.1454% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.99 +/- 1.29   0.002% *  0.1281% (0.60   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  21.29 +/- 1.94   0.001% *  0.1672% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.68 +/- 2.48   0.001% *  0.1623% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.42 +/- 2.12   0.001% *  0.1758% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.08 +/- 1.19   0.000% *  0.1281% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.10 +/- 1.54   0.000% *  0.1643% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.24 +/- 1.72   0.000% *  0.1549% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.02 +/- 1.65   0.000% *  0.1229% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.41 +/- 1.91   0.000% *  0.1400% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.08 +/- 1.29   0.001% *  0.0313% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.94 +/- 1.31   0.000% *  0.0466% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.91 +/- 1.50   0.000% *  0.0259% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 3.7, residual support = 25.4:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  99.510% * 98.3406% (0.24  10.0   3.70  25.44) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   5.52 +/- 0.62   0.301% *  0.3086% (0.76   1.0   0.02   0.60) =   0.001%
          QG2   THR   23 - HN    LEU   80   6.34 +/- 0.89   0.160% *  0.2493% (0.61   1.0   0.02   7.37) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.35 +/- 0.35   0.022% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  11.55 +/- 0.41   0.003% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.16 +/- 0.86   0.002% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.66 +/- 0.81   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.58 +/- 2.08   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.14 +/- 1.50   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  21.66 +/- 2.77   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.20 +/- 1.38   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.70 +/- 1.81   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.407, support = 6.28, residual support = 77.5:
      O   HB2   LEU   80 - HN    LEU   80   2.58 +/- 0.44  70.450% * 49.0839% (0.26  10.0   6.04  77.48) =  70.809%  kept
          HG    LEU   80 - HN    LEU   80   3.23 +/- 0.73  29.427% * 48.4423% (0.76   1.0   6.85  77.48) =  29.190%  kept
          HG    LEU   73 - HN    ALA   34   8.38 +/- 0.68   0.056% *  0.1219% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  10.32 +/- 0.88   0.015% *  0.1003% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.19 +/- 0.87   0.015% *  0.0498% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.86 +/- 1.34   0.020% *  0.0272% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.42 +/- 1.74   0.003% *  0.1475% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.83 +/- 2.73   0.002% *  0.1349% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  15.37 +/- 1.33   0.001% *  0.1670% (0.89   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  15.58 +/- 1.28   0.001% *  0.1456% (0.78   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  15.06 +/- 1.77   0.002% *  0.1060% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  16.33 +/- 1.77   0.001% *  0.1213% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  17.11 +/- 3.11   0.001% *  0.1169% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  17.30 +/- 1.10   0.001% *  0.1381% (0.74   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  19.04 +/- 1.04   0.000% *  0.1409% (0.75   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  16.48 +/- 1.56   0.001% *  0.0364% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.97 +/- 0.70   0.002% *  0.0225% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  17.93 +/- 2.61   0.001% *  0.0406% (0.22   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.68 +/- 1.14   0.000% *  0.1704% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  23.44 +/- 1.65   0.000% *  0.1761% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.32 +/- 1.80   0.000% *  0.1115% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.24 +/- 1.65   0.000% *  0.0602% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.44 +/- 1.90   0.000% *  0.0602% (0.32   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  26.35 +/- 2.34   0.000% *  0.1282% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  22.21 +/- 2.84   0.000% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.64 +/- 1.56   0.000% *  0.0498% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  24.22 +/- 1.95   0.000% *  0.0440% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  27.05 +/- 2.25   0.000% *  0.0309% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.747, support = 0.768, residual support = 8.76:
          QG1   VAL   41 - HN    ALA   34   4.35 +/- 0.47  74.054% * 48.6736% (0.78   0.75   9.31) =  88.142%  kept
          HG    LEU   31 - HN    ALA   34   6.04 +/- 0.35  12.223% * 38.8369% (0.51   0.92   4.77) =  11.608%  kept
          QD2   LEU   73 - HN    ALA   34   7.09 +/- 1.09   5.463% *  0.6332% (0.38   0.02   0.02) =   0.085%
          QG2   THR   46 - HN    LEU   80   8.27 +/- 1.27   2.690% *  0.9543% (0.57   0.02   0.02) =   0.063%
          QG1   VAL   43 - HN    ALA   34   8.56 +/- 0.76   1.652% *  1.2008% (0.72   0.02   0.02) =   0.049%
          QD1   ILE   19 - HN    ALA   34   7.77 +/- 0.73   2.594% *  0.3617% (0.22   0.02   0.02) =   0.023%
          QG1   VAL   43 - HN    LEU   80  11.29 +/- 1.65   0.382% *  1.4524% (0.87   0.02   0.02) =   0.014%
          QD2   LEU   73 - HN    LEU   80  11.63 +/- 1.17   0.271% *  0.7658% (0.46   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LEU   80  13.36 +/- 1.61   0.113% *  1.1425% (0.69   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ALA   34  13.47 +/- 0.63   0.094% *  0.9446% (0.57   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LEU   80  14.58 +/- 1.90   0.075% *  1.0178% (0.61   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.30 +/- 1.69   0.136% *  0.4374% (0.26   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   80  15.79 +/- 1.56   0.037% *  1.5698% (0.94   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.95 +/- 1.05   0.129% *  0.2278% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.58 +/- 0.60   0.027% *  0.7890% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  15.97 +/- 1.90   0.045% *  0.3923% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  20.27 +/- 0.90   0.008% *  0.3244% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.90 +/- 1.83   0.008% *  0.2755% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.67, residual support = 77.5:
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.62  86.293% * 97.2231% (0.85   6.67  77.48) =  99.974%  kept
          QD1   LEU   73 - HN    ALA   34   6.08 +/- 0.73   5.448% *  0.2636% (0.77   0.02   0.02) =   0.017%
          QG1   VAL   83 - HN    LEU   80   5.58 +/- 0.51   7.766% *  0.0811% (0.24   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    LEU   80  10.64 +/- 1.19   0.197% *  0.3188% (0.93   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  12.99 +/- 2.68   0.084% *  0.2412% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.22 +/- 1.01   0.068% *  0.1847% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.96 +/- 1.56   0.017% *  0.3188% (0.93   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.19 +/- 1.54   0.019% *  0.2636% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  13.96 +/- 3.48   0.067% *  0.0670% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  15.15 +/- 1.61   0.019% *  0.1206% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.65 +/- 1.99   0.007% *  0.3002% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.83 +/- 1.34   0.008% *  0.1458% (0.42   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.37 +/- 2.06   0.003% *  0.2482% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.49 +/- 2.22   0.004% *  0.2234% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.261, residual support = 0.522:
          QG1   VAL   75 - HN    LEU   80   4.64 +/- 1.15  99.422% * 86.7944% (0.46   0.26   0.52) =  99.966%  kept
          QG1   VAL   75 - HN    ALA   34  13.25 +/- 0.84   0.437% *  5.5000% (0.38   0.02   0.02) =   0.028%
          QD1   LEU  115 - HN    LEU   80  17.72 +/- 1.52   0.109% *  4.2181% (0.29   0.02   0.02) =   0.005%
          QD1   LEU  115 - HN    ALA   34  20.95 +/- 1.49   0.032% *  3.4875% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 4 structures by 0.52 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 = 3.49, residual support = 25.3:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  95.959% * 89.0509% (0.63  10.0   3.51  25.44) =  99.630%  kept
          HA    LYS+  81 - HN    LEU   80   4.85 +/- 0.13   3.297% *  9.6072% (0.29   1.0   4.63  30.55) =   0.369%
          HA    ASN   28 - HN    ALA   34   7.66 +/- 0.24   0.213% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.88 +/- 0.06   0.400% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  11.10 +/- 2.82   0.056% *  0.0675% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.09 +/- 1.51   0.010% *  0.1272% (0.89   1.0   0.02   1.54) =   0.000%
          HA    THR   26 - HN    ALA   34   9.97 +/- 0.46   0.045% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.17 +/- 2.42   0.003% *  0.1123% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  12.27 +/- 1.21   0.014% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.05 +/- 1.82   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.01 +/- 1.43   0.000% *  0.1242% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.45 +/- 5.80   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.48 +/- 3.52   0.000% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.29 +/- 1.30   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.41 +/- 2.23   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.32 +/- 1.91   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.20 +/- 1.84   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.47 +/- 1.06   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.69 +/- 1.92   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.44 +/- 2.65   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.586, support = 1.75, residual support = 4.57:
          HA    LEU   31 - HN    ALA   34   3.04 +/- 0.21  79.462% * 82.1700% (0.60   1.81   4.77) =  95.128%  kept
          HA    THR   77 - HN    LEU   80   4.04 +/- 0.78  20.533% * 16.2844% (0.36   0.60   0.60) =   4.871%  kept
          HA    LEU   31 - HN    LEU   80  16.93 +/- 1.85   0.004% *  1.0992% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.80 +/- 0.86   0.001% *  0.4463% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.644, support = 3.59, residual support = 14.3:
          HB2   ASP-  76 - HN    LEU   80   4.03 +/- 0.66  68.535% * 20.5933% (0.57   2.87   3.47) =  54.370%  kept
          QE    LYS+  33 - HN    ALA   34   5.12 +/- 0.57  18.539% * 38.4848% (0.60   5.15  42.81) =  27.484%  kept
          HB2   ASP-  78 - HN    LEU   80   5.70 +/- 0.46  11.889% * 39.6095% (0.93   3.41   3.66) =  18.142%  kept
          HB2   ASN   28 - HN    ALA   34   9.39 +/- 0.37   0.465% *  0.1266% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.91 +/- 0.54   0.394% *  0.0658% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  13.11 +/- 1.15   0.066% *  0.1531% (0.61   0.02   1.54) =   0.000%
          HB2   ASN   69 - HN    ALA   34  13.89 +/- 1.30   0.066% *  0.0953% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.41 +/- 2.06   0.013% *  0.1809% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.85 +/- 1.08   0.007% *  0.1187% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.27 +/- 1.37   0.008% *  0.0953% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  19.66 +/- 1.64   0.006% *  0.1152% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.58 +/- 4.46   0.008% *  0.0544% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.54 +/- 1.07   0.002% *  0.1918% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.75 +/- 1.53   0.001% *  0.1152% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.42, residual support = 49.0:
          HB2   GLU-  79 - HN    LEU   80   2.96 +/- 0.66  98.537% * 95.3320% (0.46   5.42  48.96) =  99.997%  kept
          HG3   GLU-  36 - HN    ALA   34   7.09 +/- 0.56   1.378% *  0.2038% (0.27   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    LEU   80  11.81 +/- 0.87   0.043% *  0.7082% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.03 +/- 0.42   0.010% *  0.5856% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.39 +/- 1.62   0.008% *  0.6267% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.58 +/- 2.12   0.017% *  0.2465% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.29 +/- 2.24   0.002% *  0.2970% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.68 +/- 1.13   0.002% *  0.2908% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.11 +/- 1.51   0.001% *  0.2712% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.28 +/- 1.24   0.001% *  0.2456% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.86 +/- 1.96   0.000% *  0.5182% (0.68   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.99 +/- 1.77   0.000% *  0.2465% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.34 +/- 1.44   0.000% *  0.2242% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.31 +/- 1.01   0.000% *  0.2038% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.771, support = 6.86, residual support = 42.0:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  72.907% * 92.3626% (0.78  10.0   6.89  42.81) =  98.113%  kept
          HA    GLN   32 - HN    ALA   34   4.45 +/- 0.19  20.434% *  6.3203% (0.22   1.0   4.92   0.11) =   1.882%  kept
          HB2   SER   82 - HN    LEU   80   6.84 +/- 0.45   1.669% *  0.1002% (0.85   1.0   0.02   0.15) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.01 +/- 0.40   1.427% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.28 +/- 0.57   3.018% *  0.0206% (0.17   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.66 +/- 2.38   0.286% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.78 +/- 1.06   0.122% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.63 +/- 0.71   0.026% *  0.0874% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.63 +/- 0.43   0.065% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.95 +/- 1.37   0.011% *  0.1078% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.15 +/- 1.66   0.010% *  0.1057% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.98 +/- 3.81   0.003% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.55 +/- 1.50   0.013% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.31 +/- 1.88   0.002% *  0.1117% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.26 +/- 1.56   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.69 +/- 1.64   0.003% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.30 +/- 1.50   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.55 +/- 2.50   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.49 +/- 0.97   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.98 +/- 3.28   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.33 +/- 1.68   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.93 +/- 1.54   0.000% *  0.0143% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.323, support = 0.0198, residual support = 0.286:
          HN    GLN   30 - HN    ALA   34   6.14 +/- 0.37  78.639% *  3.3143% (0.17  1.00   0.02   0.48) =  58.129%  kept
          HN    GLU-  29 - HN    ALA   34   8.36 +/- 0.36  12.331% * 11.4785% (0.61  1.00   0.02   0.02) =  31.568%  kept
          HN    ASP-  86 - HN    LEU   80   9.32 +/- 0.30   6.888% *  3.7738% (0.20  1.00   0.02   0.02) =   5.797%  kept
          HN    GLU-  29 - HN    LEU   80  13.28 +/- 1.37   0.903% * 10.2810% (0.54  1.00   0.02   0.02) =   2.071%  kept
          HN    VAL   18 - HN    ALA   34  15.92 +/- 0.81   0.291% * 13.7422% (0.72  1.00   0.02   0.02) =   0.891%  kept
        T HN    ASP-  86 - HN    ALA   34  21.34 +/- 3.92   0.065% * 42.1332% (0.22 10.00   0.02   0.02) =   0.610%  kept
          HN    GLN   30 - HN    LEU   80  13.89 +/- 1.62   0.715% *  2.9685% (0.16  1.00   0.02   0.02) =   0.474%
          HN    VAL   18 - HN    LEU   80  17.58 +/- 1.81   0.167% * 12.3085% (0.65  1.00   0.02   0.02) =   0.459%
    Distance limit 3.76 A violated in 20 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.234, support = 0.02, residual support = 0.266:
          HN    GLN   30 - HN    ALA   34   6.14 +/- 0.37  78.639% *  2.6057% (0.11  1.00   0.02   0.48) =  53.779%  kept
          HN    GLU-  29 - HN    ALA   34   8.36 +/- 0.36  12.331% * 10.1298% (0.41  1.00   0.02   0.02) =  32.783%  kept
          HN    ASP-  86 - HN    LEU   80   9.32 +/- 0.30   6.888% *  4.0782% (0.17  1.00   0.02   0.02) =   7.372%  kept
          HN    GLU-  29 - HN    LEU   80  13.28 +/- 1.37   0.903% * 12.2517% (0.50  1.00   0.02   0.02) =   2.904%  kept
          HN    VAL   18 - HN    ALA   34  15.92 +/- 0.81   0.291% * 15.4172% (0.63  1.00   0.02   0.02) =   1.176%  kept
          HN    VAL   18 - HN    LEU   80  17.58 +/- 1.81   0.167% * 18.6466% (0.76  1.00   0.02   0.02) =   0.819%  kept
          HN    GLN   30 - HN    LEU   80  13.89 +/- 1.62   0.715% *  3.1515% (0.13  1.00   0.02   0.02) =   0.592%  kept
        T HN    ASP-  86 - HN    ALA   34  21.34 +/- 3.92   0.065% * 33.7193% (0.14 10.00   0.02   0.02) =   0.575%  kept
    Distance limit 3.73 A violated in 20 structures by 2.17 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  18.79) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.24 +/- 1.85   0.000% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.10 +/- 3.24   0.003% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.67   0.004% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.13 +/- 1.64   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.12 +/- 4.27   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.01 +/- 1.86   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.60 +/- 0.90   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.17, residual support = 30.5:
          HN    LYS+  81 - HN    LEU   80   3.52 +/- 0.17  98.942% * 98.6549% (0.94   5.17  30.55) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.75 +/- 1.53   0.630% *  0.0492% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80  10.84 +/- 2.57   0.371% *  0.0595% (0.15   0.02   7.82) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.39 +/- 0.83   0.036% *  0.3456% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.16 +/- 1.46   0.013% *  0.2857% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.49 +/- 2.07   0.002% *  0.3158% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  19.01 +/- 1.00   0.004% *  0.1310% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.06 +/- 1.18   0.001% *  0.1584% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    664
      with multiple volume contributions     :    308
      eliminated by violation filter         :     45
 
    Peaks:
      selected                               :   1103
      without assignment                     :     64
      with assignment                        :   1039
      with unique assignment                 :    757
      with multiple assignment               :    282
      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             :    910
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  44       3.0
    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 = 0.568, support = 3.26, residual support = 46.9:
      O T HB2   GLU-  14 - HA    GLU-  14   2.75 +/- 0.18  86.038% * 27.7351% (0.39  10.0 10.00   2.96  48.11) =  71.049%  kept
    * O T HG2   MET   11 - HA    MET   11   3.85 +/- 0.35  13.726% * 70.8328% (1.00  10.0 10.00   4.00  43.97) =  28.949%  kept
        T HB2   GLU-  14 - HA    MET   11   9.90 +/- 1.62   0.084% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HA    GLU-  14  10.85 +/- 1.37   0.058% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.44 +/- 2.66   0.091% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.83 +/- 3.20   0.002% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.75 +/- 1.16   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.36 +/- 2.30   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.88 +/- 2.07   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.61 +/- 1.74   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.95 +/- 2.81   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.23 +/- 2.64   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.61 +/- 3.56   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.43 +/- 2.96   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  27.14 +/- 2.92   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.23 +/- 3.42   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 3.54, residual support = 45.8:
    * O T HG3   MET   11 - HA    MET   11   3.36 +/- 0.66  31.862% * 72.0852% (1.00  10.0 10.00   4.00  43.97) =  55.781%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.83 +/- 0.22  68.037% * 26.7596% (0.37  10.0 10.00   2.96  48.11) =  44.218%  kept
        T HB3   GLU-  14 - HA    MET   11  10.49 +/- 1.21   0.038% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.54 +/- 1.13   0.052% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  19.67 +/- 3.60   0.003% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.09 +/- 1.08   0.005% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.03 +/- 1.72   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.91 +/- 2.04   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.42 +/- 2.22   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.03 +/- 1.29   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.49 +/- 3.44   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.83 +/- 1.83   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.13 +/- 2.01   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.42 +/- 3.07   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.583, support = 3.48, residual support = 45.5:
    * O T HA    MET   11 - HG2   MET   11   3.85 +/- 0.35  12.773% * 80.1739% (1.00  10.0 10.00   4.00  43.97) =  50.155%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.75 +/- 0.18  80.218% * 12.3430% (0.15  10.0 10.00   2.96  48.11) =  48.495%  kept
          HA    ALA   12 - HG2   MET   11   4.95 +/- 0.90   4.567% *  6.0222% (0.53   1.0  1.00   2.86  12.08) =   1.347%  kept
        T HA    MET   11 - HB2   GLU-  14   9.90 +/- 1.62   0.078% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.85 +/- 1.37   0.054% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   7.12 +/- 1.51   0.750% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.88 +/- 0.74   1.318% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.88 +/- 1.14   0.221% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.41 +/- 1.96   0.005% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.11 +/- 3.57   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.43 +/- 2.34   0.006% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.26 +/- 2.36   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.34 +/- 1.47   0.003% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.22 +/- 3.49   0.002% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.01 +/- 3.06   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.37 +/- 2.56   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.48 +/- 2.22   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.38 +/- 2.35   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  30.36 +/- 4.45   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.57 +/- 3.44   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.35 +/- 2.56   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.36 +/- 2.30   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  33.53 +/- 3.73   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  20.97 +/- 2.04   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.12 +/- 3.43   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.95 +/- 2.81   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.64 +/- 4.86   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.92 +/- 1.90   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  30.22 +/- 4.03   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.35 +/- 5.24   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  29.60 +/- 2.30   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.20 +/- 2.37   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.52 +/- 2.23   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.85 +/- 3.01   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.83 +/- 1.52   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.85 +/- 2.68   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.896, support = 3.3, residual support = 44.5:
    * O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.15  58.058% * 80.4450% (1.00  10.0 10.00   3.31  43.97) =  86.861%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.41 +/- 0.14  41.414% * 17.0553% (0.21  10.0 10.00   3.23  48.11) =  13.136%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.55 +/- 0.65   0.401% *  0.2188% (0.27   1.0 10.00   0.02   1.43) =   0.002%
        T QB    MET   11 - HB2   GLU-  14   9.04 +/- 1.76   0.063% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.16 +/- 1.72   0.027% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.11 +/- 1.86   0.005% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  17.74 +/- 5.31   0.002% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.99 +/- 2.29   0.018% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  15.38 +/- 1.84   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.83 +/- 2.52   0.007% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.01 +/- 2.25   0.001% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.42 +/- 1.33   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.98 +/- 2.50   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.82 +/- 1.73   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.79 +/- 1.29   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.99 +/- 1.71   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.18 +/- 2.50   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.25 +/- 2.11   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.90 +/- 3.06   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.56 +/- 1.86   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.42 +/- 2.98   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.17 +/- 2.79   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.50 +/- 4.51   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.17 +/- 2.63   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.15 +/- 2.63   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.19 +/- 1.98   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.32 +/- 2.80   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.52 +/- 3.99   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  32.63 +/- 1.60   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.72 +/- 2.79   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.31 +/- 2.15   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.91 +/- 2.29   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  38.39 +/- 3.51   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.1:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.990% * 72.5786% (1.00  10.0 10.00   4.00  43.97) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.991% * 25.7103% (0.35  10.0 10.00   3.00  48.11) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.14 +/- 2.14   0.007% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.25 +/- 2.01   0.009% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.64 +/- 1.14   0.001% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  12.97 +/- 1.53   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  21.96 +/- 2.05   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.71 +/- 1.91   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.81 +/- 2.15   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.88 +/- 4.05   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  30.11 +/- 1.77   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.48 +/- 2.74   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.59 +/- 2.98   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.46 +/- 2.69   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.69 +/- 3.79   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.79 +/- 1.98   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.34 +/- 2.14   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  36.14 +/- 2.73   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.96 +/- 2.69   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.70 +/- 3.43   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.81 +/- 1.32   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.8, support = 3.75, residual support = 44.4:
    * O T HA    MET   11 - HG3   MET   11   3.36 +/- 0.66  30.127% * 80.7795% (1.00  10.0 10.00   4.00  43.97) =  75.925%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.83 +/- 0.22  61.099% * 11.7903% (0.15  10.0 10.00   2.96  48.11) =  22.475%  kept
          HA    ALA   12 - HG3   MET   11   4.55 +/- 1.01   8.343% *  6.1449% (0.53   1.0  1.00   2.89  12.08) =   1.599%  kept
        T HA    GLU-  14 - HG3   MET   11  10.54 +/- 1.13   0.044% *  0.3321% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  10.49 +/- 1.21   0.033% *  0.2868% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.61 +/- 1.20   0.344% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.00 +/- 1.93   0.006% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  19.79 +/- 3.50   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.80 +/- 2.33   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.87 +/- 2.74   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.92 +/- 2.46   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.33 +/- 3.29   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.20 +/- 2.43   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.27 +/- 2.56   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  30.40 +/- 3.81   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  33.51 +/- 3.18   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  20.50 +/- 1.99   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.88 +/- 3.62   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.61 +/- 4.39   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  30.00 +/- 4.22   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  29.47 +/- 1.94   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  37.30 +/- 4.85   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.13 +/- 2.28   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  38.81 +/- 2.62   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.827, support = 3.29, residual support = 44.6:
    * O T QB    MET   11 - HG3   MET   11   2.47 +/- 0.13  42.133% * 67.3911% (1.00  10.0 10.00   3.31  43.97) =  78.288%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.35 +/- 0.13  56.606% * 13.5457% (0.20  10.0 10.00   3.23  48.11) =  21.142%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.18 +/- 0.98   1.189% * 17.3737% (0.26   1.0 10.00   2.09   1.43) =   0.570%  kept
        T QG    GLU-  14 - HG3   MET   11   9.88 +/- 1.48   0.019% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.58 +/- 1.45   0.028% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.82 +/- 1.90   0.006% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  17.50 +/- 5.09   0.003% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.49 +/- 2.20   0.012% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  15.39 +/- 1.99   0.001% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.56 +/- 2.32   0.001% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.77 +/- 2.28   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.76 +/- 2.74   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.02 +/- 2.99   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  28.52 +/- 3.90   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  21.56 +/- 2.60   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  24.73 +/- 1.91   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  28.05 +/- 2.86   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  32.48 +/- 1.71   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.32 +/- 2.90   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  35.49 +/- 3.62   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  30.07 +/- 2.19   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  38.32 +/- 3.21   0.000% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.1:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.991% * 71.8618% (1.00  10.0 10.00   4.00  43.97) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.991% * 25.4564% (0.35  10.0 10.00   3.00  48.11) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.25 +/- 2.01   0.009% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.14 +/- 2.14   0.007% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  10.97 +/- 2.66   0.002% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  17.80 +/- 3.20   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  31.70 +/- 1.62   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  37.82 +/- 3.61   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.03 +/- 1.89   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.46 +/- 2.69   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  23.44 +/- 2.95   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  36.14 +/- 2.73   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.94 +/- 3.20   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  32.57 +/- 2.92   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  26.56 +/- 3.13   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  35.24 +/- 2.74   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.897, support = 3.39, residual support = 44.5:
    * O T HA    MET   11 - QB    MET   11   2.31 +/- 0.14  48.495% * 85.1002% (1.00  10.0 10.00   3.37  43.97) =  88.094%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.35 +/- 0.44  49.113% * 11.3536% (0.13  10.0 10.00   3.57  48.11) =  11.903%  kept
          HA    ALA   12 - QB    MET   11   4.13 +/- 0.17   1.626% *  0.0448% (0.53   1.0  1.00   0.02  12.08) =   0.002%
        T HA    GLU-  14 - QG    GLU-  15   5.08 +/- 0.73   0.597% *  0.0843% (0.10   1.0 10.00   0.02   1.43) =   0.001%
        T HA    GLU-  14 - QB    MET   11   9.36 +/- 0.83   0.015% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.62 +/- 1.23   0.013% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.86 +/- 1.69   0.010% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   7.20 +/- 0.82   0.063% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.17 +/- 1.68   0.030% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.10 +/- 1.44   0.023% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.82 +/- 1.80   0.001% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.31 +/- 1.20   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.19 +/- 2.03   0.003% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.65 +/- 1.31   0.007% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.85 +/- 2.38   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  26.74 +/- 3.85   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.96 +/- 2.59   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.35 +/- 1.69   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.67 +/- 4.24   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.93 +/- 2.19   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.74 +/- 3.98   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.17 +/- 1.76   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.27 +/- 1.94   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.64 +/- 1.92   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.28 +/- 2.66   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.66 +/- 1.07   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.01 +/- 1.08   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.48 +/- 1.24   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.66 +/- 3.11   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.12 +/- 1.56   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.45 +/- 1.02   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.99 +/- 1.13   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.33 +/- 0.66   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.38 +/- 2.69   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.15 +/- 4.30   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.69 +/- 3.20   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.45 +/- 2.42   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.30 +/- 1.76   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.02 +/- 4.73   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  26.43 +/- 3.21   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.58 +/- 1.73   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.46 +/- 1.30   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.18 +/- 1.08   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  34.51 +/- 2.20   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  27.42 +/- 4.49   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  30.38 +/- 3.42   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.16 +/- 1.83   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  37.24 +/- 1.15   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.872, support = 3.3, residual support = 44.8:
    * O T HG2   MET   11 - QB    MET   11   2.27 +/- 0.15  56.970% * 73.8446% (1.00  10.0 10.00   3.31  43.97) =  81.123%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.41 +/- 0.14  40.936% * 23.9110% (0.32  10.0 10.00   3.23  48.11) =  18.875%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.55 +/- 0.65   0.398% *  0.1776% (0.24   1.0 10.00   0.02   1.43) =   0.001%
        T HB2   GLU-  14 - QB    MET   11   9.04 +/- 1.76   0.062% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLU-  15   6.32 +/- 2.04   1.578% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.16 +/- 1.72   0.026% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.11 +/- 1.86   0.004% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  17.74 +/- 5.31   0.002% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  10.30 +/- 2.45   0.020% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  15.38 +/- 1.84   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.20 +/- 2.83   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.47 +/- 1.52   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.15 +/- 0.84   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.18 +/- 2.50   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.99 +/- 1.71   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  20.80 +/- 2.16   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.81 +/- 1.38   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.39 +/- 1.39   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  32.17 +/- 2.63   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.63 +/- 2.44   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.00 +/- 2.60   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  32.23 +/- 2.01   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.36 +/- 2.92   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.65 +/- 2.84   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.01 +/- 2.39   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  21.52 +/- 2.89   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.81 +/- 2.43   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  23.84 +/- 2.78   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.52 +/- 2.78   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.91 +/- 2.29   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.51 +/- 1.55   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.46 +/- 1.80   0.000% *  0.0012% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.798, support = 3.29, residual support = 45.2:
    * O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.13  42.122% * 75.1074% (1.00  10.0 10.00   3.31  43.97) =  70.795%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.35 +/- 0.13  56.595% * 23.0568% (0.31  10.0 10.00   3.23  48.11) =  29.200%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.18 +/- 0.98   1.189% *  0.1713% (0.23   1.0 10.00   0.02   1.43) =   0.005%
        T HB3   GLU-  14 - QB    MET   11   9.58 +/- 1.45   0.028% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.88 +/- 1.48   0.019% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.82 +/- 1.90   0.006% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  17.50 +/- 5.09   0.003% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  15.39 +/- 1.99   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.00 +/- 1.72   0.011% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.97 +/- 1.92   0.010% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.49 +/- 1.53   0.006% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  17.49 +/- 3.34   0.001% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.16 +/- 2.06   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.58 +/- 0.73   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.66 +/- 1.42   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  18.98 +/- 2.39   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.06 +/- 2.09   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.85 +/- 1.15   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.36 +/- 2.18   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.03 +/- 1.63   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.34 +/- 1.54   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.97 +/- 0.94   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.41 +/- 3.10   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.79 +/- 1.51   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.98 +/- 0.99   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.45 +/- 2.80   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.67 +/- 2.16   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.81 +/- 1.15   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.994% * 99.1918% (0.82  10.0 10.00   2.00  12.40) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  15.02 +/- 3.46   0.005% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  17.82 +/- 2.16   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  18.56 +/- 2.56   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  19.57 +/- 2.23   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.61 +/- 2.84   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  21.95 +/- 2.58   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.64 +/- 3.77   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.29 +/- 4.52   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.02 +/- 2.57   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.34 +/- 3.31   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.34 +/- 2.20   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  29.30 +/- 2.65   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.986% * 99.5569% (0.82  10.0 10.00   2.00  12.40) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.88 +/- 0.22   2.773% *  0.0286% (0.24   1.0  1.00   0.02  12.08) =   0.001%
          HA    GLU-  14 - QB    ALA   12   6.09 +/- 0.79   0.241% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.54 +/- 2.42   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.72 +/- 2.30   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  29.36 +/- 4.43   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  25.74 +/- 2.89   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  29.85 +/- 4.70   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  30.27 +/- 3.98   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.916, support = 2.04, residual support = 10.6:
    * O T QB    SER   13 - HA    SER   13   2.44 +/- 0.14  70.747% * 64.9056% (1.00  10.0 10.00   1.93   7.21) =  82.961%  kept
      O T HB3   SER   37 - HA    SER   37   2.86 +/- 0.21  28.746% * 32.8086% (0.51  10.0 10.00   2.57  26.90) =  17.039%  kept
          HB    THR   39 - HA    SER   37   5.98 +/- 0.51   0.390% *  0.0346% (0.53   1.0  1.00   0.02   3.17) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.23 +/- 2.33   0.007% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  13.33 +/- 2.90   0.007% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.78 +/- 1.81   0.038% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.83 +/- 1.09   0.044% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.97 +/- 1.90   0.003% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.75 +/- 0.48   0.010% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.52 +/- 2.67   0.004% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.44 +/- 1.24   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.74 +/- 1.80   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.08 +/- 1.17   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.51 +/- 0.64   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.36 +/- 0.63   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.37 +/- 0.53   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.65 +/- 4.24   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.95 +/- 1.50   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.90 +/- 1.62   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.44 +/- 3.98   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.59 +/- 3.81   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.09 +/- 2.64   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.27 +/- 2.00   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.99 +/- 1.88   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 2.05, residual support = 10.7:
    * O T HA    SER   13 - QB    SER   13   2.44 +/- 0.14  70.665% * 63.8850% (1.00  10.0 10.00   1.93   7.21) =  82.297%  kept
      O T HA    SER   37 - HB3   SER   37   2.86 +/- 0.21  28.724% * 33.8056% (0.53  10.0 10.00   2.57  26.90) =  17.702%  kept
          HA    GLU-  15 - QB    SER   13   6.91 +/- 0.90   0.205% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.18 +/- 0.45   0.309% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.23 +/- 2.33   0.007% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.33 +/- 2.90   0.007% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.64 +/- 0.49   0.040% *  0.0565% (0.88   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.21 +/- 1.52   0.012% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.58 +/- 1.05   0.014% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.80 +/- 1.54   0.012% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.80 +/- 2.00   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.74 +/- 1.80   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.93 +/- 1.43   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.51 +/- 0.64   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.43 +/- 1.00   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  17.30 +/- 2.61   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  22.31 +/- 5.69   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.49 +/- 3.22   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.82 +/- 1.36   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.15 +/- 1.97   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.73 +/- 1.26   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.60 +/- 1.38   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.964, support = 3.02, residual support = 47.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.75 +/- 0.18  86.033% * 70.8449% (1.00  10.0 10.00   2.96  48.11) =  94.120%  kept
      O T HG2   MET   11 - HA    MET   11   3.85 +/- 0.35  13.725% * 27.7398% (0.39  10.0 10.00   4.00  43.97) =   5.879%  kept
        T HG2   MET   11 - HA    GLU-  14  10.85 +/- 1.37   0.058% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11   9.90 +/- 1.62   0.084% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.44 +/- 2.66   0.091% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.97 +/- 1.20   0.003% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.75 +/- 1.16   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.83 +/- 3.20   0.002% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  18.46 +/- 3.99   0.004% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.36 +/- 2.30   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.88 +/- 2.07   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.23 +/- 2.64   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.61 +/- 1.74   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.95 +/- 2.81   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.61 +/- 3.56   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.43 +/- 2.96   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.86, support = 3.52, residual support = 46.9:
    * O T QG    GLU-  14 - HA    GLU-  14   2.35 +/- 0.44  49.830% * 45.0668% (1.00  10.0 10.00   3.57  48.11) =  81.134%  kept
      O T QB    MET   11 - HA    MET   11   2.31 +/- 0.14  49.512% * 10.0127% (0.22  10.0 10.00   3.37  43.97) =  17.911%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.08 +/- 0.73   0.608% * 43.4925% (0.97   1.0 10.00   2.40   1.43) =   0.955%  kept
        T QB    MET   11 - HA    GLU-  14   9.36 +/- 0.83   0.016% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.62 +/- 1.23   0.014% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.86 +/- 1.69   0.010% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.86 +/- 1.43   0.007% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.12 +/- 1.56   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  19.78 +/- 4.79   0.002% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.29 +/- 1.55   0.001% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.65 +/- 2.59   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  21.48 +/- 1.90   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.72 +/- 2.04   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.76 +/- 2.22   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.08 +/- 2.54   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.78 +/- 2.35   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  35.26 +/- 4.08   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  38.18 +/- 3.26   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.977, support = 2.97, residual support = 47.9:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.75 +/- 0.18  81.479% * 81.8200% (1.00  10.0 10.00   2.96  48.11) =  97.321%  kept
      O T HA    MET   11 - HG2   MET   11   3.85 +/- 0.35  12.988% * 12.5964% (0.15  10.0 10.00   4.00  43.97) =   2.388%  kept
          HA    ALA   12 - HG2   MET   11   4.95 +/- 0.90   4.627% *  4.2878% (0.37   1.0  1.00   2.86  12.08) =   0.290%
          HA    ALA   12 - HB2   GLU-  14   7.12 +/- 1.51   0.759% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14   9.90 +/- 1.62   0.079% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.85 +/- 1.37   0.055% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.26 +/- 2.36   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.43 +/- 2.34   0.006% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.34 +/- 1.47   0.003% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.05 +/- 2.53   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.36 +/- 2.30   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  30.22 +/- 4.03   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.37 +/- 2.56   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.48 +/- 2.22   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.20 +/- 2.37   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.35 +/- 2.56   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.12 +/- 3.43   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.01 +/- 3.06   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.44 +/- 1.30   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.19 +/- 3.35   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.95 +/- 2.81   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  30.57 +/- 4.57   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.35 +/- 5.24   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.10 +/- 1.93   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.57 +/- 3.44   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.92 +/- 1.90   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.85 +/- 2.68   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  33.53 +/- 3.73   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.64 +/- 4.86   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  38.28 +/- 5.31   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.819, support = 3.25, residual support = 47.2:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.41 +/- 0.14  41.415% * 80.2785% (1.00  10.0 10.00   3.23  48.11) =  77.082%  kept
      O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.15  58.059% * 17.0200% (0.21  10.0 10.00   3.31  43.97) =  22.910%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.55 +/- 0.65   0.401% *  0.7747% (0.97   1.0 10.00   0.02   1.43) =   0.007%
        T QB    MET   11 - HB2   GLU-  14   9.04 +/- 1.76   0.063% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  14 - HG2   MET   11  10.16 +/- 1.72   0.027% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.99 +/- 2.29   0.018% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.11 +/- 1.86   0.005% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.42 +/- 1.33   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.01 +/- 2.25   0.001% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  14.91 +/- 1.96   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.96 +/- 2.67   0.008% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.82 +/- 1.73   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.25 +/- 2.11   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.96 +/- 4.85   0.001% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.18 +/- 2.50   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.15 +/- 2.63   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.99 +/- 1.71   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.98 +/- 2.50   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.56 +/- 1.86   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.32 +/- 2.80   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.90 +/- 3.06   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.17 +/- 2.63   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.70 +/- 3.09   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.31 +/- 2.15   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.52 +/- 3.99   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.68 +/- 2.69   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  38.40 +/- 3.41   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.899, support = 3.55, residual support = 47.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.35 +/- 0.44  49.126% * 85.4905% (1.00  10.0 10.00   3.57  48.11) =  88.347%  kept
      O T HA    MET   11 - QB    MET   11   2.31 +/- 0.14  48.524% * 11.4057% (0.13  10.0 10.00   3.37  43.97) =  11.642%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.08 +/- 0.73   0.597% *  0.7522% (0.88   1.0 10.00   0.02   1.43) =   0.009%
          HA    ALA   12 - QB    MET   11   4.13 +/- 0.17   1.627% *  0.0272% (0.32   1.0  1.00   0.02  12.08) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.20 +/- 0.82   0.063% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.62 +/- 1.23   0.013% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.36 +/- 0.83   0.015% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.86 +/- 1.69   0.010% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.10 +/- 1.44   0.023% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.82 +/- 1.80   0.001% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.31 +/- 1.20   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.43 +/- 1.51   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.35 +/- 1.69   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.46 +/- 1.99   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.85 +/- 2.38   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.93 +/- 2.19   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.69 +/- 3.20   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  26.43 +/- 3.21   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.17 +/- 1.76   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.48 +/- 1.24   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.38 +/- 2.69   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.45 +/- 2.42   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  26.97 +/- 3.58   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.76 +/- 2.60   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  26.18 +/- 3.45   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.02 +/- 4.73   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.28 +/- 2.66   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.66 +/- 3.11   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.15 +/- 4.30   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  33.90 +/- 4.78   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.871, support = 3.24, residual support = 47.3:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.35 +/- 0.13  56.611% * 74.4402% (1.00  10.0 10.00   3.23  48.11) =  81.389%  kept
      O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.13  42.133% * 22.8520% (0.31  10.0 10.00   3.31  43.97) =  18.595%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.18 +/- 0.98   1.189% *  0.6550% (0.88   1.0 10.00   0.02   1.43) =   0.015%
        T HG3   MET   11 - QG    GLU-  14   9.88 +/- 1.48   0.019% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.58 +/- 1.45   0.028% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.82 +/- 1.90   0.006% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.00 +/- 1.72   0.011% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.16 +/- 2.06   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.66 +/- 1.42   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  18.98 +/- 2.39   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.97 +/- 0.94   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.34 +/- 1.54   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.03 +/- 1.63   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.36 +/- 2.18   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.06 +/- 2.09   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.41 +/- 3.10   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.79 +/- 1.51   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.45 +/- 2.80   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 2.04, residual support = 10.5:
    * O T QG    GLU-  15 - HA    GLU-  15   2.38 +/- 0.50  94.209% * 49.8424% (1.00  10.0 10.00   1.99  11.02) =  94.638%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.60 +/- 0.71   5.531% * 48.1014% (0.97   1.0 10.00   2.88   1.43) =   5.362%  kept
          HB3   PHE   72 - HA    GLU-  15   8.40 +/- 1.11   0.168% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.20 +/- 1.70   0.014% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.12 +/- 1.16   0.011% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.01 +/- 1.99   0.004% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.13 +/- 0.52   0.019% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.45 +/- 1.99   0.007% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.04 +/- 0.96   0.005% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.54 +/- 0.66   0.006% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  16.14 +/- 1.82   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.76 +/- 2.46   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.70 +/- 2.93   0.004% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  19.83 +/- 3.43   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.42 +/- 1.12   0.005% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  17.96 +/- 1.71   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.77 +/- 0.71   0.002% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.30 +/- 0.61   0.002% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.96 +/- 0.43   0.007% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.56 +/- 0.79   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.89 +/- 1.62   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  26.66 +/- 1.50   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  24.05 +/- 3.00   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.08 +/- 0.90   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  26.26 +/- 2.01   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.89 +/- 1.70   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.89 +/- 1.07   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 11.0:
    * O T QB    GLU-  15 - HA    GLU-  15   2.47 +/- 0.14  97.407% * 95.2027% (1.00  10.0 10.00   3.00  11.02) =  99.989%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.02 +/- 0.51   0.616% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PRO   68 - HA    GLU-  15   7.66 +/- 2.32   0.558% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   19 - HA    GLU-  15   7.11 +/- 1.07   0.270% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.98 +/- 1.61   0.462% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  12.12 +/- 1.55   0.010% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15   9.42 +/- 1.71   0.061% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   7.39 +/- 1.99   0.508% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.97 +/- 0.74   0.003% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.76 +/- 1.24   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.99 +/- 1.07   0.016% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.09 +/- 0.80   0.008% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.66 +/- 1.37   0.013% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.52 +/- 0.96   0.007% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.76 +/- 0.94   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.82 +/- 1.49   0.004% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.66 +/- 0.63   0.010% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  14.48 +/- 1.75   0.004% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.39 +/- 0.56   0.019% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.99 +/- 1.11   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.64 +/- 0.81   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.25 +/- 0.68   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.75 +/- 0.51   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.11 +/- 2.46   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  18.05 +/- 3.06   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.34 +/- 1.35   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.24 +/- 2.31   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.21 +/- 0.69   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.86 +/- 2.07   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.84 +/- 2.11   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  19.25 +/- 1.20   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  20.49 +/- 1.18   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  19.46 +/- 1.50   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.17 +/- 1.10   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.85 +/- 2.37   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.56 +/- 3.09   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.994, support = 2.03, residual support = 10.6:
    * O T HA    GLU-  15 - QG    GLU-  15   2.38 +/- 0.50  90.644% * 52.1759% (1.00  10.0 10.00   1.99  11.02) =  95.243%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.60 +/- 0.71   5.141% * 45.9069% (0.88   1.0 10.00   2.88   1.43) =   4.753%  kept
          HA    SER   13 - QG    GLU-  14   4.96 +/- 0.83   1.932% *  0.0459% (0.88   1.0  1.00   0.02   6.68) =   0.002%
          HA    SER   13 - QG    GLU-  15   6.74 +/- 1.01   1.327% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG    GLU-  15   7.00 +/- 0.40   0.230% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   7.72 +/- 1.01   0.239% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.20 +/- 1.70   0.012% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.55 +/- 0.64   0.362% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.44 +/- 2.14   0.058% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.01 +/- 1.99   0.004% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.12 +/- 1.16   0.010% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.45 +/- 1.99   0.006% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  13.29 +/- 2.18   0.008% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  16.14 +/- 1.82   0.002% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.31 +/- 0.92   0.002% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.76 +/- 2.46   0.001% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.32 +/- 1.52   0.001% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.14 +/- 3.85   0.002% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.69 +/- 3.33   0.006% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.83 +/- 3.43   0.001% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.46 +/- 1.97   0.004% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.84 +/- 2.12   0.001% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.49 +/- 0.99   0.000% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.75 +/- 1.15   0.002% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.38 +/- 1.96   0.002% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.00 +/- 3.48   0.001% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.15 +/- 0.94   0.000% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.38 +/- 1.82   0.000% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.24 +/- 1.43   0.000% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.96 +/- 2.77   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.03 +/- 2.77   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.25 +/- 4.15   0.000% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.48 +/- 1.75   0.000% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HB2   GLN   17 - HA    GLN   17   2.59 +/- 0.18  98.850% * 97.7872% (1.00  10.0 10.00   4.00  84.58) =  99.992%  kept
        T HB3   PRO   68 - HA    GLN   17   7.57 +/- 2.29   0.510% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T QB    GLU-  15 - HA    GLN   17   6.78 +/- 0.21   0.345% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    GLN   17   7.67 +/- 0.66   0.178% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17   9.24 +/- 1.84   0.101% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.57 +/- 0.89   0.007% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.87 +/- 1.06   0.006% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.26 +/- 1.40   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.10 +/- 1.80   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.88 +/- 0.46   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.90 +/- 2.25   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  22.05 +/- 1.86   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HA    GLN   17   2.87 +/- 0.57  99.748% * 98.5118% (0.76  10.0 10.00   4.31  84.58) =  99.997%  kept
        T HB    VAL   70 - HA    GLN   17   9.39 +/- 1.47   0.239% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HA    GLN   17  16.79 +/- 1.16   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.48 +/- 0.80   0.003% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.97 +/- 1.85   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.27 +/- 0.46   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.71 +/- 0.78   0.002% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.202, support = 3.55, residual support = 51.4:
    * O T HA    GLN   17 - HB2   GLN   17   2.59 +/- 0.18  42.881% * 57.9333% (0.24  10.0 10.00   4.00  84.58) =  54.850%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.47 +/- 0.14  55.525% * 36.8149% (0.15  10.0 10.00   3.00  11.02) =  45.133%  kept
        T HA    GLU-  15 - HB3   PRO   68   7.66 +/- 2.32   0.327% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLN   17 - HB3   PRO   68   7.57 +/- 2.29   0.183% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU-  15 - HB2   GLN   17   6.02 +/- 0.51   0.361% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   17 - QB    GLU-  15   6.78 +/- 0.21   0.130% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.84 +/- 0.80   0.531% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  12.12 +/- 1.55   0.005% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.97 +/- 0.74   0.002% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  11.24 +/- 1.85   0.013% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.66 +/- 1.26   0.020% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  12.57 +/- 2.82   0.007% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.76 +/- 1.24   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.40 +/- 0.48   0.001% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.56 +/- 1.10   0.004% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.46 +/- 1.49   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.19 +/- 1.12   0.003% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.01 +/- 1.04   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.61 +/- 0.67   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  17.12 +/- 1.46   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.26 +/- 0.99   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.60 +/- 1.66   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  21.77 +/- 1.06   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  20.04 +/- 1.00   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HB2   GLN   17   2.46 +/- 0.11  98.085% * 84.9728% (0.18  10.0 10.00   4.31  84.58) =  99.970%  kept
        T QG    GLN   17 - QB    GLU-  15   5.29 +/- 0.57   1.236% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLN   17 - HB3   PRO   68   7.74 +/- 2.28   0.418% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.011%
        T HB    VAL   70 - HB3   PRO   68   7.42 +/- 0.81   0.160% *  2.3301% (0.51   1.0 10.00   0.02   1.07) =   0.004%
        T HB    VAL   70 - QB    GLU-  15   8.73 +/- 1.18   0.077% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  11.43 +/- 1.33   0.013% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  15.81 +/- 2.60   0.003% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  18.19 +/- 1.89   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.50 +/- 0.98   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.02 +/- 0.73   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.23 +/- 1.78   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.37 +/- 1.36   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  22.20 +/- 1.78   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.90 +/- 1.03   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  17.65 +/- 1.69   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.85 +/- 0.89   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.59 +/- 1.06   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.59 +/- 0.82   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.61 +/- 1.16   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  23.77 +/- 1.42   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.66 +/- 0.71   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T HA    GLN   17 - QG    GLN   17   2.87 +/- 0.57  72.538% * 99.2429% (0.76  10.0 10.00   4.31  84.58) =  99.979%  kept
          HA    GLU-  15 - QG    GLN   17   4.27 +/- 1.02  26.388% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.021%
        T HA    GLN   17 - HB    VAL   70   9.39 +/- 1.47   0.119% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.31 +/- 1.05   0.270% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.72 +/- 0.54   0.270% *  0.0123% (0.09   1.0  1.00   0.02   1.30) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.92 +/- 0.87   0.271% *  0.0076% (0.06   1.0  1.00   0.02  35.45) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.52 +/- 1.03   0.084% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.23 +/- 1.05   0.012% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.34 +/- 1.14   0.012% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.65 +/- 1.61   0.005% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  16.46 +/- 1.28   0.003% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.57 +/- 1.37   0.007% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  14.04 +/- 0.95   0.007% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.43 +/- 1.10   0.006% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  15.78 +/- 1.25   0.004% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.68 +/- 0.92   0.002% *  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 = 84.6:
    * O T HB2   GLN   17 - QG    GLN   17   2.46 +/- 0.11  96.457% * 95.9708% (0.76  10.0 10.00   4.31  84.58) =  99.983%  kept
        T QB    GLU-  15 - QG    GLN   17   5.29 +/- 0.57   1.207% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - QG    GLN   17   7.74 +/- 2.28   0.410% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG    GLN   17   6.59 +/- 1.49   1.191% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB    VAL   70   7.42 +/- 0.81   0.156% *  0.1574% (0.13   1.0 10.00   0.02   1.07) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   8.73 +/- 1.18   0.076% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17   9.37 +/- 1.96   0.081% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.33 +/- 1.43   0.328% *  0.0096% (0.08   1.0  1.00   0.02   1.07) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.43 +/- 1.33   0.013% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.84 +/- 1.46   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.30 +/- 1.49   0.015% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.02 +/- 0.70   0.023% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  14.20 +/- 1.68   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.98 +/- 1.60   0.011% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.23 +/- 2.04   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.69 +/- 2.60   0.013% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.45 +/- 0.90   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.23 +/- 1.30   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  14.11 +/- 1.00   0.003% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.53 +/- 1.47   0.002% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  13.03 +/- 1.40   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.78 +/- 1.69   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.76 +/- 2.08   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  19.95 +/- 2.45   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HB    VAL   18 - HA    VAL   18   2.71 +/- 0.33  99.841% * 99.6862% (1.00  10.0 10.00   3.44  77.21) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   8.49 +/- 0.77   0.141% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  13.17 +/- 1.07   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  14.95 +/- 1.09   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.57 +/- 1.90   0.002% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.47 +/- 1.12   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T QG1   VAL   18 - HA    VAL   18   2.67 +/- 0.25  97.974% * 98.7319% (1.00  10.0 10.00   4.00  77.21) =  99.996%  kept
        T QG1   VAL   70 - HA    VAL   18   8.22 +/- 1.23   0.231% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    VAL   18   7.33 +/- 1.55   1.386% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   8.17 +/- 1.11   0.188% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  15.90 +/- 2.99   0.211% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.93 +/- 2.25   0.008% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.75 +/- 1.37   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T QG2   VAL   18 - HA    VAL   18   2.50 +/- 0.44  97.438% * 98.4101% (1.00  10.0 10.00   4.00  77.21) =  99.998%  kept
          QD1   ILE   19 - HA    VAL   18   5.58 +/- 0.73   2.379% *  0.0715% (0.73   1.0  1.00   0.02  22.71) =   0.002%
        T QG1   VAL   41 - HA    VAL   18  10.86 +/- 1.11   0.035% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.60 +/- 1.58   0.071% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.53 +/- 0.87   0.067% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.51 +/- 1.52   0.004% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.73 +/- 0.87   0.007% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HA    VAL   18 - HB    VAL   18   2.71 +/- 0.33  99.971% * 99.3791% (1.00  10.0 10.00   3.44  77.21) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.71 +/- 1.17   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.64 +/- 2.13   0.005% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.68 +/- 2.00   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.87 +/- 0.61   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  18.07 +/- 0.79   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.47 +/- 2.04   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.75 +/- 1.46   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.53 +/- 0.86   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.90 +/- 2.22   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.834% * 99.5994% (1.00  10.0 10.00   3.44  77.21) = 100.000%  kept
          HB3   LEU   63 - HB    VAL   18   8.64 +/- 1.52   0.050% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.38 +/- 1.64   0.033% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.72 +/- 1.44   0.020% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  15.85 +/- 3.40   0.060% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  14.25 +/- 1.99   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.25 +/- 1.74   0.000% *  0.0485% (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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 77.2:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.819% * 98.4101% (1.00  10.0 10.00   3.26  77.21) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   7.14 +/- 0.71   0.129% *  0.0715% (0.73   1.0  1.00   0.02  22.71) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.65 +/- 1.85   0.039% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.68 +/- 1.32   0.003% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.67 +/- 1.23   0.009% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.93 +/- 1.70   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.53 +/- 1.07   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.67 +/- 0.25  99.917% * 97.2871% (1.00  10.0 10.00   4.00  77.21) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18  10.20 +/- 0.84   0.035% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.99 +/- 1.81   0.020% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.23 +/- 1.50   0.003% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.70 +/- 0.46   0.006% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  14.44 +/- 0.61   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.47 +/- 1.74   0.005% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.11 +/- 1.05   0.006% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  15.39 +/- 0.66   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.50 +/- 1.70   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.969% * 99.6862% (1.00  10.0 10.00   3.44  77.21) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   9.12 +/- 0.86   0.019% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.59 +/- 1.33   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.61 +/- 1.85   0.002% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.40 +/- 1.27   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  12.86 +/- 0.99   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T QG2   VAL   18 - QG1   VAL   18   2.08 +/- 0.04  99.304% * 98.4101% (1.00  10.0 10.00   4.00  77.21) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.35 +/- 0.35   0.389% *  0.0715% (0.73   1.0  1.00   0.02  22.71) =   0.000%
          QG2   THR   46 - QG1   VAL   18   6.32 +/- 1.59   0.250% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18  10.09 +/- 1.03   0.010% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   8.07 +/- 1.03   0.043% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  14.05 +/- 1.34   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.77 +/- 0.70   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.50 +/- 0.44  98.454% * 97.9277% (1.00  10.0 10.00   4.00  77.21) =  99.999%  kept
        T HA    VAL   18 - QG1   VAL   41  10.86 +/- 1.11   0.035% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.23 +/- 0.45   0.313% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.53 +/- 0.38   0.563% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG1   VAL   41   7.04 +/- 0.56   0.354% *  0.0514% (0.52   1.0  1.00   0.02   2.70) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.89 +/- 0.70   0.084% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.48 +/- 0.49   0.044% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.72 +/- 1.57   0.093% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.00 +/- 1.43   0.010% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.88 +/- 1.49   0.009% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.51 +/- 1.52   0.004% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.32 +/- 0.58   0.003% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.38 +/- 0.70   0.003% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  17.57 +/- 3.11   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  14.37 +/- 1.14   0.004% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  18.19 +/- 1.67   0.001% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.55 +/- 0.76   0.002% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  18.05 +/- 2.08   0.001% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.76 +/- 1.81   0.006% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  19.08 +/- 2.78   0.001% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  15.42 +/- 0.98   0.003% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.99 +/- 0.94   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.51 +/- 1.32   0.005% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.88 +/- 1.95   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  17.34 +/- 1.48   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  21.12 +/- 3.32   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  22.89 +/- 3.38   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.01 +/- 1.44   0.000% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  22.60 +/- 1.66   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.50 +/- 2.04   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 = 3.26, residual support = 77.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  98.991% * 98.5012% (1.00  10.0 10.00   3.26  77.21) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.16 +/- 0.30   0.516% *  0.0257% (0.26   1.0  1.00   0.02  18.91) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.53 +/- 0.67   0.059% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.68 +/- 1.32   0.003% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.59 +/- 1.88   0.391% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.32 +/- 1.01   0.010% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  10.94 +/- 0.80   0.006% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.70 +/- 2.63   0.014% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.48 +/- 1.49   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.44 +/- 1.10   0.003% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.47 +/- 0.76   0.003% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.93 +/- 1.70   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.41 +/- 1.18   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.87 +/- 1.29   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.16 +/- 1.37   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  20.35 +/- 1.31   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.18 +/- 1.80   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.68 +/- 1.59   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 80.2:
    * O T QG1   VAL   18 - QG2   VAL   18   2.08 +/- 0.04  74.340% * 90.9635% (1.00  10.0 10.00   4.00  77.21) =  97.892%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.63 +/- 0.30  21.370% *  6.8036% (0.07  10.0 10.00   5.46 219.12) =   2.105%  kept
          QD1   LEU   71 - QG1   VAL   41   4.22 +/- 1.08   3.708% *  0.0581% (0.64   1.0  1.00   0.02   4.37) =   0.003%
          HB3   LEU   63 - QG2   VAL   18   6.34 +/- 0.84   0.176% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.81 +/- 1.60   0.019% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.91 +/- 1.39   0.068% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.09 +/- 1.03   0.007% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.71 +/- 1.12   0.053% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   7.37 +/- 0.60   0.042% *  0.0681% (0.75   1.0  1.00   0.02   2.70) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.92 +/- 1.67   0.158% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.17 +/- 1.83   0.005% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  12.71 +/- 2.26   0.022% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.52 +/- 1.28   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.05 +/- 1.34   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.74 +/- 1.15   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.47 +/- 3.16   0.009% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.85 +/- 1.02   0.008% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.29 +/- 2.94   0.001% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.14 +/- 1.88   0.004% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.33 +/- 1.32   0.002% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.76 +/- 0.86   0.003% *  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 = 172.1:
    * O T HB    ILE   19 - HA    ILE   19   2.91 +/- 0.11  97.884% * 98.7896% (1.00  10.0 10.00   5.75 172.08) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.73 +/- 0.40   1.913% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.56 +/- 0.45   0.161% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.20 +/- 0.40   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.37 +/- 1.24   0.008% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  12.76 +/- 1.93   0.021% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.85 +/- 1.15   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.37 +/- 1.43   0.002% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.18 +/- 1.19   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.59 +/- 2.22   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.1:
    * O T HG12  ILE   19 - HA    ILE   19   3.10 +/- 0.67  94.268% * 98.1529% (1.00  10.0 10.00   6.31 172.08) =  99.991%  kept
        T HG    LEU   73 - HA    ILE   19   7.05 +/- 0.90   1.872% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.007%
          HB3   LYS+  74 - HA    ILE   19   6.12 +/- 0.72   3.414% *  0.0556% (0.57   1.0  1.00   0.02   8.28) =   0.002%
          QB    ALA   61 - HA    ILE   19   9.08 +/- 1.04   0.329% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  14.02 +/- 2.81   0.024% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.80 +/- 1.32   0.040% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.93 +/- 2.21   0.015% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.07 +/- 0.91   0.018% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.60 +/- 2.81   0.005% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.72 +/- 0.85   0.014% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.77 +/- 2.22   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.03 +/- 1.45   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.1:
    * O T HG13  ILE   19 - HA    ILE   19   2.51 +/- 0.51  99.670% * 98.2804% (1.00  10.0 10.00   5.75 172.08) =  99.999%  kept
        T HG    LEU   71 - HA    ILE   19   8.33 +/- 1.24   0.135% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   8.21 +/- 0.84   0.113% *  0.0907% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          QG2   THR   39 - HA    ILE   19   9.98 +/- 0.71   0.044% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.65 +/- 1.28   0.005% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.55 +/- 0.50   0.030% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.88 +/- 1.09   0.001% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  19.28 +/- 1.51   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.57 +/- 0.99   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  20.95 +/- 2.47   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.15 +/- 2.24   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.78, residual support = 170.6:
    *   T QD1   ILE   19 - HA    ILE   19   3.13 +/- 0.18  94.594% * 84.6203% (1.00 10.00   4.78 172.08) =  99.042%  kept
          QG2   VAL   18 - HA    ILE   19   5.23 +/- 0.40   5.110% * 15.1433% (0.73  1.00   4.93  22.71) =   0.957%  kept
          QG2   THR   46 - HA    ILE   19  10.67 +/- 1.57   0.083% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.21 +/- 1.09   0.116% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.07 +/- 1.41   0.082% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.40 +/- 1.47   0.004% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.75 +/- 1.10   0.011% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.25 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.1:
    * O T HA    ILE   19 - HB    ILE   19   2.91 +/- 0.11  99.913% * 98.6066% (1.00  10.0 10.00   5.75 172.08) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.54 +/- 0.72   0.011% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.98 +/- 0.66   0.073% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.85 +/- 2.04   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.00 +/- 0.94   0.002% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.26, residual support = 170.2:
    * O T HG12  ILE   19 - HB    ILE   19   2.40 +/- 0.25  93.483% * 84.0133% (1.00  10.0 10.00   5.30 172.08) =  98.902%  kept
        T HG    LEU   73 - HB    ILE   19   4.51 +/- 1.02   6.163% * 14.1432% (0.34   1.0 10.00   0.99   4.00) =   1.098%  kept
          HB3   LYS+  74 - HB    ILE   19   6.53 +/- 0.71   0.289% *  0.0476% (0.57   1.0  1.00   0.02   8.28) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.48 +/- 1.16   0.013% *  0.6101% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  13.67 +/- 2.91   0.005% *  0.8235% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19   9.67 +/- 0.98   0.031% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.59 +/- 0.87   0.004% *  0.0442% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  14.52 +/- 2.38   0.003% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.34 +/- 1.00   0.007% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  17.92 +/- 2.57   0.001% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.07 +/- 2.13   0.000% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.39 +/- 1.42   0.000% *  0.0209% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.0:
    * O T HG13  ILE   19 - HB    ILE   19   2.69 +/- 0.28  97.167% * 97.6364% (1.00  10.0 10.00   5.00 172.08) =  99.977%  kept
        T HG    LEU   71 - HB    ILE   19   5.99 +/- 1.22   2.337% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.022%
        T HG2   LYS+  74 - HB    ILE   19   8.28 +/- 0.89   0.185% *  0.9013% (0.92   1.0 10.00   0.02   8.28) =   0.002%
          QG2   THR   39 - HB    ILE   19   8.16 +/- 0.56   0.162% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.41 +/- 0.48   0.136% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.69 +/- 1.44   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.35 +/- 1.35   0.006% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  17.29 +/- 1.31   0.002% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.26 +/- 0.81   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.18 +/- 2.12   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.91 +/- 2.61   0.001% *  0.0243% (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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 172.1:
    * O T QD1   ILE   19 - HB    ILE   19   2.89 +/- 0.23  96.954% * 99.6493% (1.00  10.0 10.00   4.04 172.08) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.65 +/- 0.48   2.403% *  0.0724% (0.73   1.0  1.00   0.02  22.71) =   0.002%
          QG1   VAL   43 - HB    ILE   19   8.18 +/- 1.29   0.345% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.82 +/- 1.39   0.224% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.61 +/- 1.42   0.050% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.32 +/- 1.42   0.006% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.64 +/- 1.17   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.20 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.1:
    * O T HA    ILE   19 - HG12  ILE   19   3.10 +/- 0.67  95.901% * 98.8520% (1.00  10.0 10.00   6.31 172.08) =  99.993%  kept
        T HA    ILE   19 - HG    LEU   73   7.05 +/- 0.90   1.922% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.007%
          HA    GLU-  25 - HG    LEU   80   8.69 +/- 2.27   0.736% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  14.02 +/- 2.81   0.025% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.05 +/- 0.56   0.536% *  0.0152% (0.15   1.0  1.00   0.02   0.15) =   0.000%
          HA    THR   26 - HG    LEU   73   9.40 +/- 1.31   0.458% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.76 +/- 1.45   0.089% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.57 +/- 0.63   0.098% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  10.27 +/- 2.44   0.203% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.51 +/- 0.46   0.014% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.52 +/- 1.45   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.02 +/- 1.85   0.005% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.24 +/- 0.78   0.005% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.57 +/- 2.58   0.004% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  22.39 +/- 2.18   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.40 +/- 0.25  93.070% * 98.3572% (1.00  10.0 10.00   5.30 172.08) =  99.978%  kept
        T HB    ILE   19 - HG    LEU   73   4.51 +/- 1.02   6.147% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.022%
          HB2   GLN   17 - HG12  ILE   19   6.77 +/- 0.84   0.432% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.19 +/- 0.79   0.190% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.62 +/- 2.11   0.088% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  13.67 +/- 2.91   0.005% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.19 +/- 1.32   0.004% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.99 +/- 1.46   0.021% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  11.68 +/- 1.89   0.011% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.22 +/- 1.08   0.013% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.69 +/- 0.75   0.002% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.81 +/- 1.45   0.006% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.37 +/- 1.26   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.88 +/- 1.30   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.89 +/- 1.73   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.42 +/- 1.32   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.46 +/- 2.32   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.64 +/- 1.28   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.88 +/- 2.85   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.59 +/- 1.62   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.08 +/- 1.51   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  20.27 +/- 2.70   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.49 +/- 1.38   0.000% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.00 +/- 2.34   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.83 +/- 2.32   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.35 +/- 3.29   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  22.32 +/- 2.28   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  26.23 +/- 3.06   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.98 +/- 1.68   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.11 +/- 2.97   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.1:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  98.736% * 96.9096% (1.00  10.0 10.00   5.30 172.08) =  99.993%  kept
        T HG    LEU   71 - HG12  ILE   19   6.11 +/- 1.78   0.526% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   71 - HG    LEU   73   5.61 +/- 1.62   0.566% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HG13  ILE   19 - HG    LEU   73   6.89 +/- 1.01   0.042% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   7.95 +/- 1.12   0.017% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.83 +/- 0.91   0.015% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.45 +/- 0.64   0.049% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.97 +/- 1.01   0.004% *  0.0895% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.45 +/- 1.97   0.009% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.31 +/- 0.60   0.010% *  0.0292% (0.30   1.0  1.00   0.02  40.97) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.00 +/- 2.11   0.006% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.75 +/- 0.96   0.008% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  15.35 +/- 2.96   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.43 +/- 2.34   0.009% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  17.05 +/- 3.33   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.08 +/- 2.11   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.27 +/- 1.54   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.56 +/- 1.73   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  17.09 +/- 1.40   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.32 +/- 1.06   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.80 +/- 1.54   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.77 +/- 1.33   0.000% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.48 +/- 2.09   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.59 +/- 2.58   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.59 +/- 1.18   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  14.49 +/- 2.57   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  16.97 +/- 2.62   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  21.73 +/- 2.78   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  24.51 +/- 3.08   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.53 +/- 3.34   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.93 +/- 3.19   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.69 +/- 2.40   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.36 +/- 2.13   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 172.1:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  93.991% * 98.4260% (1.00  10.0 10.00   4.15 172.08) =  99.997%  kept
        T QD1   ILE   19 - HG    LEU   73   5.41 +/- 0.85   0.664% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.002%
          QG1   VAL   43 - HG    LEU   73   4.64 +/- 0.98   4.531% *  0.0156% (0.16   1.0  1.00   0.02   7.84) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   6.32 +/- 0.55   0.181% *  0.0715% (0.73   1.0  1.00   0.02  22.71) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.24 +/- 1.09   0.386% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.24 +/- 2.68   0.005% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.58 +/- 0.95   0.069% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.41 +/- 1.94   0.045% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.56 +/- 1.65   0.025% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   9.38 +/- 1.85   0.032% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.60 +/- 1.73   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80  10.18 +/- 2.68   0.021% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  12.07 +/- 1.63   0.004% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.94 +/- 1.00   0.011% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.47 +/- 1.50   0.022% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  15.11 +/- 2.53   0.001% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.79 +/- 1.60   0.003% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.00 +/- 2.05   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  13.35 +/- 2.38   0.002% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.26 +/- 2.61   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.90 +/- 2.66   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.1:
    * O T HA    ILE   19 - HG13  ILE   19   2.51 +/- 0.51  99.813% * 98.6722% (1.00  10.0 10.00   5.75 172.08) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.33 +/- 1.24   0.135% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.48 +/- 1.17   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.82 +/- 0.55   0.028% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.81 +/- 0.43   0.004% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.22 +/- 1.22   0.000% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.86 +/- 1.47   0.014% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.11 +/- 1.71   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.56 +/- 2.13   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.53 +/- 2.89   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.1:
    * O T HB    ILE   19 - HG13  ILE   19   2.69 +/- 0.28  95.458% * 98.7569% (1.00  10.0 10.00   5.00 172.08) =  99.995%  kept
        T HB    ILE   19 - HG    LEU   71   5.99 +/- 1.22   2.284% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HG13  ILE   19   6.20 +/- 0.85   1.420% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.09 +/- 0.66   0.343% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.65 +/- 1.49   0.364% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.12 +/- 1.53   0.012% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  11.57 +/- 2.04   0.038% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.03 +/- 1.46   0.036% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.87 +/- 0.71   0.004% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.26 +/- 1.14   0.012% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.16 +/- 2.20   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.44 +/- 1.17   0.021% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.11 +/- 1.44   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.41 +/- 1.39   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.15 +/- 1.56   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.69 +/- 1.45   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.52 +/- 2.32   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  19.88 +/- 0.93   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.41 +/- 1.34   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.69 +/- 1.42   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.1:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  98.831% * 97.7565% (1.00  10.0 10.00   5.30 172.08) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   6.11 +/- 1.78   0.526% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71   5.61 +/- 1.62   0.567% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   6.89 +/- 1.01   0.042% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.99 +/- 0.82   0.014% *  0.0553% (0.57   1.0  1.00   0.02   8.28) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  15.35 +/- 2.96   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19   9.97 +/- 0.91   0.004% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.77 +/- 1.87   0.002% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71  10.01 +/- 1.19   0.004% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.73 +/- 1.24   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  17.05 +/- 3.33   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.28 +/- 0.82   0.005% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.83 +/- 1.36   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.25 +/- 2.39   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.57 +/- 1.47   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.66 +/- 1.13   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.27 +/- 2.70   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.85 +/- 0.97   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.23 +/- 2.55   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.80 +/- 2.85   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.35 +/- 2.23   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.33 +/- 2.82   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.81 +/- 1.93   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.06 +/- 1.58   0.000% *  0.0035% (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 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 = 4.04, residual support = 172.1:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.00  91.887% * 99.4572% (1.00  10.0 10.00   4.04 172.08) =  99.989%  kept
        T QD1   ILE   19 - HG    LEU   71   5.05 +/- 1.55   6.688% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL   18 - HG13  ILE   19   6.04 +/- 0.60   0.229% *  0.0722% (0.73   1.0  1.00   0.02  22.71) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.34 +/- 1.08   1.065% *  0.0044% (0.04   1.0  1.00   0.02   4.37) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.06 +/- 1.38   0.014% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  10.01 +/- 1.66   0.016% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.73 +/- 0.88   0.061% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.99 +/- 1.57   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.06 +/- 0.82   0.019% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.47 +/- 2.05   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.05 +/- 1.14   0.004% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.12 +/- 1.48   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.36 +/- 0.75   0.008% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.89 +/- 1.46   0.002% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 172.1:
    *   T HA    ILE   19 - QD1   ILE   19   3.13 +/- 0.18  99.286% * 99.7561% (1.00 10.00   4.78 172.08) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   7.51 +/- 0.88   0.649% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  10.98 +/- 0.81   0.058% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.23 +/- 0.94   0.004% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.17 +/- 2.19   0.003% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 172.1:
    * O T HB    ILE   19 - QD1   ILE   19   2.89 +/- 0.23  97.528% * 99.4654% (1.00  10.0 10.00   4.04 172.08) =  99.999%  kept
          HB2   GLN   17 - QD1   ILE   19   6.75 +/- 1.10   1.419% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD1   ILE   19   6.43 +/- 0.76   0.918% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.09 +/- 1.09   0.048% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.08 +/- 1.63   0.023% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  10.83 +/- 2.03   0.058% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.38 +/- 1.12   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.67 +/- 1.34   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.35 +/- 1.26   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.93 +/- 1.79   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 172.1:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.176% * 97.8860% (1.00  10.0 10.00   4.15 172.08) =  99.997%  kept
        T HG    LEU   73 - QD1   ILE   19   5.41 +/- 0.85   0.688% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.002%
        T HG    LEU   80 - QD1   ILE   19  12.24 +/- 2.68   0.006% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   19   7.20 +/- 0.63   0.089% *  0.0554% (0.57   1.0  1.00   0.02   8.28) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.15 +/- 1.14   0.007% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19   9.65 +/- 0.95   0.017% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  10.88 +/- 1.69   0.010% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  13.09 +/- 2.20   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.75 +/- 1.23   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.82 +/- 2.17   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.50 +/- 2.18   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.75 +/- 1.65   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.04, residual support = 172.0:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  92.960% * 98.6077% (1.00  10.0 10.00   4.04 172.08) =  99.935%  kept
        T HG    LEU   71 - QD1   ILE   19   5.05 +/- 1.55   6.690% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.064%
          QG2   THR   39 - QD1   ILE   19   6.66 +/- 1.26   0.214% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.85 +/- 0.79   0.110% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.93 +/- 0.61   0.021% *  0.0910% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.50 +/- 1.90   0.002% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.88 +/- 1.20   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.92 +/- 1.27   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.98 +/- 0.76   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  18.16 +/- 2.29   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.43 +/- 1.88   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.11 +/- 0.55   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.41 +/- 0.84   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.15 +/- 1.91   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.58 +/- 1.49   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.96 +/- 1.35   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.50 +/- 2.66   0.000% *  0.0135% (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 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.990% * 99.9427% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.95 +/- 0.50   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.34 +/- 0.97   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 = 2.43, residual support = 27.7:
    * O T HB2   CYS   21 - HA    CYS   21   2.82 +/- 0.26  99.992% * 99.9059% (1.00  10.0 10.00   2.43  27.73) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.98 +/- 0.56   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.99 +/- 2.16   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 = 2.48, residual support = 27.7:
    * O T HB3   CYS   21 - HA    CYS   21   2.56 +/- 0.20  99.998% * 99.9348% (0.69  10.0 10.00   2.48  27.73) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.60 +/- 1.52   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.26, residual support = 27.7:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00 100.000% * 99.9348% (0.69  10.0 10.00   2.26  27.73) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.53 +/- 1.68   0.000% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.26, residual support = 27.7:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.26  27.73) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.43 +/- 0.90   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.01 +/- 2.21   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 = 34.3:
    * O T HB2   HIS   22 - HA    HIS   22   2.63 +/- 0.29  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.25) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.41 +/- 0.85   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  24.01 +/- 2.74   0.000% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.3:
    * O T HB3   HIS   22 - HA    HIS   22   2.83 +/- 0.27  99.995% * 99.9165% (0.95  10.0 10.00   3.46  34.25) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  21.19 +/- 4.05   0.005% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.3:
    * O T HA    HIS   22 - HB2   HIS   22   2.63 +/- 0.29  99.994% * 99.7956% (0.76  10.0 10.00   2.32  34.25) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  14.23 +/- 0.66   0.006% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.87 +/- 1.14   0.000% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.3:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.25) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  23.34 +/- 4.37   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 = 34.3:
    * O T HA    HIS   22 - HB3   HIS   22   2.83 +/- 0.27  99.992% * 99.7956% (0.95  10.0 10.00   3.46  34.25) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  14.21 +/- 0.69   0.008% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  21.69 +/- 1.20   0.001% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.3:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.25) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.32 +/- 0.77   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  24.46 +/- 3.03   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.87 +/- 0.35  99.710% * 99.3383% (0.80  10.0 10.00   3.25  19.06) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   8.26 +/- 0.60   0.254% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  13.45 +/- 1.43   0.014% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.46 +/- 0.46   0.011% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  16.31 +/- 0.66   0.004% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.19 +/- 2.32   0.007% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.29 +/- 0.81   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.48, support = 3.25, residual support = 19.1:
      O   HB    THR   23 - QG2   THR   23   2.14 +/- 0.00  81.606% * 25.6645% (0.28  10.0  1.00   3.25  19.06) =  61.346%  kept
    * O T HA    THR   23 - QG2   THR   23   2.87 +/- 0.35  17.854% * 73.9129% (0.80  10.0 10.00   3.25  19.06) =  38.654%  kept
          HA    LEU   80 - QG2   THR   23   6.01 +/- 1.22   0.288% *  0.0379% (0.41   1.0  1.00   0.02   7.37) =   0.000%
          HA    ASP-  78 - QB    ALA   91   8.35 +/- 2.58   0.233% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.91 +/- 0.91   0.010% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  13.45 +/- 1.43   0.002% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  16.31 +/- 0.66   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.51 +/- 1.63   0.005% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  14.95 +/- 1.61   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.34 +/- 0.67   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.13 +/- 0.53   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.58 +/- 1.87   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.3:
    * O T QG1   VAL   24 - HA    VAL   24   2.62 +/- 0.55  99.948% * 99.7332% (1.00  10.0 10.00   3.43  65.32) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.18 +/- 0.35   0.048% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  16.99 +/- 1.83   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  26.64 +/- 3.32   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  22.96 +/- 2.72   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.13 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.3:
    * O T HA    VAL   24 - QG1   VAL   24   2.62 +/- 0.55  99.995% * 99.8757% (1.00  10.0 10.00   3.43  65.32) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.06 +/- 0.91   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.51 +/- 1.38   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  21.40 +/- 1.30   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 127.2:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.05  99.968% * 99.2829% (1.00  10.0 10.00   5.16 127.25) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.43 +/- 2.53   0.019% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  16.22 +/- 1.69   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.03 +/- 1.41   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  21.37 +/- 1.09   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  18.45 +/- 3.08   0.003% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.78 +/- 0.32   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.87 +/- 2.20   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.16 +/- 1.97   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  27.29 +/- 2.23   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.28 +/- 3.52   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  29.41 +/- 3.70   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.2:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.08  99.879% * 98.0202% (1.00  10.0 10.00   5.00 127.25) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.54 +/- 0.72   0.008% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  12.95 +/- 2.27   0.014% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.94 +/- 0.58   0.095% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.85 +/- 2.04   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.86 +/- 1.10   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.92 +/- 0.50   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.57 +/- 1.64   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.30 +/- 1.71   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  19.15 +/- 3.04   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.44 +/- 0.91   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  24.12 +/- 2.27   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.85 +/- 2.70   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.95 +/- 3.19   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.12 +/- 1.57   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  26.63 +/- 2.04   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.90 +/- 1.96   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  32.89 +/- 2.16   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.2:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.10 +/- 0.14  99.988% * 99.4877% (1.00  10.0 10.00   4.31 127.25) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.85 +/- 2.88   0.004% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82  10.25 +/- 0.42   0.008% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.61 +/- 2.20   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.48 +/- 1.39   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  21.41 +/- 2.05   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.04 +/- 2.30   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.10 +/- 2.38   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  31.67 +/- 2.26   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  31.16 +/- 2.13   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.2:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.37 +/- 0.04  99.718% * 99.2510% (1.00  10.0 10.00   3.74 127.25) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  13.29 +/- 2.45   0.038% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.42 +/- 1.19   0.082% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.23 +/- 0.57   0.136% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.47 +/- 1.02   0.008% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.91 +/- 2.67   0.010% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.66 +/- 2.17   0.003% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.25 +/- 1.43   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  22.97 +/- 1.87   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.70 +/- 2.30   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  23.36 +/- 2.40   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.67 +/- 1.87   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  27.83 +/- 3.66   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.26 +/- 1.45   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.21 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 127.2:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.05  99.969% * 99.2383% (1.00  10.0 10.00   5.16 127.25) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.43 +/- 2.53   0.019% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.57 +/- 0.39   0.011% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  23.86 +/- 1.28   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 127.2:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.2368% (1.00  10.0 10.00   5.16 127.25) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.01 +/- 0.70   0.006% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.50 +/- 0.98   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.02 +/- 0.73   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.27 +/- 0.67   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.23 +/- 1.78   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.55 +/- 1.38   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.52 +/- 1.00   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.76 +/- 2.42   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 = 4.47, residual support = 127.2:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.92 +/- 0.14  99.997% * 99.8559% (1.00  10.0 10.00   4.47 127.25) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.18 +/- 1.93   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.55 +/- 1.11   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.54 +/- 2.06   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  31.61 +/- 2.11   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 = 3.89, residual support = 127.2:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.68 +/- 0.17  99.961% * 99.6757% (1.00  10.0 10.00   3.89 127.25) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.54 +/- 1.17   0.036% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.34 +/- 1.00   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  25.61 +/- 1.43   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  23.69 +/- 1.82   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.66 +/- 2.05   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  27.52 +/- 1.75   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 = 127.2:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.08  99.980% * 98.4268% (1.00  10.0 10.00   5.00 127.25) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.95 +/- 2.27   0.014% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.20 +/- 0.40   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  23.99 +/- 1.63   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 127.2:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.16 127.25) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.84 +/- 1.46   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.45 +/- 0.90   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.97 +/- 1.58   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.43 +/- 0.73   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.84 +/- 2.29   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 = 127.2:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.81 +/- 0.10  99.997% * 99.8559% (1.00  10.0 10.00   4.44 127.25) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.83 +/- 2.03   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.72 +/- 1.32   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  32.83 +/- 2.21   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.91 +/- 2.24   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.2:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.36 +/- 0.16  99.977% * 99.2075% (1.00  10.0 10.00   3.87 127.25) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  10.59 +/- 1.62   0.022% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  25.78 +/- 2.25   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.66 +/- 1.47   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  25.66 +/- 1.51   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  23.63 +/- 1.97   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  27.88 +/- 1.98   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.2:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.10 +/- 0.14  99.996% * 99.2383% (1.00  10.0 10.00   4.31 127.25) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.85 +/- 2.88   0.004% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.87 +/- 0.28   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.17 +/- 1.55   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 127.2:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.92 +/- 0.14  99.995% * 99.7000% (1.00  10.0 10.00   4.47 127.25) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  18.07 +/- 1.78   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.33 +/- 1.39   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  23.24 +/- 1.07   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.21 +/- 0.55   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  23.48 +/- 2.24   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.2:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.10  99.951% * 99.4104% (1.00  10.0 10.00   4.44 127.25) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.50 +/- 0.67   0.043% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.22 +/- 0.68   0.004% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  20.17 +/- 1.11   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.38 +/- 0.58   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.13 +/- 1.74   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.00 +/- 1.77   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.17 +/- 1.00   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.52 +/- 2.72   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.2:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 127.25) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.09 +/- 1.22   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.40 +/- 1.23   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.58 +/- 1.55   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.23 +/- 2.19   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.27 +/- 2.41   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.34 +/- 1.84   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 = 127.2:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.37 +/- 0.04  99.953% * 98.4268% (1.00  10.0 10.00   3.74 127.25) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  13.29 +/- 2.45   0.038% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.12 +/- 0.39   0.008% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  25.76 +/- 1.56   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 127.2:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.68 +/- 0.17  99.998% * 99.7000% (1.00  10.0 10.00   3.89 127.25) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.51 +/- 1.40   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.37 +/- 1.70   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  24.17 +/- 0.90   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.31 +/- 0.42   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.80 +/- 2.25   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 0.18 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.2:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.36 +/- 0.16  99.986% * 98.6730% (1.00  10.0 10.00   3.87 127.25) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.10 +/- 0.71   0.012% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.73 +/- 0.63   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.09 +/- 1.65   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.52 +/- 0.98   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.57 +/- 0.69   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.60 +/- 1.76   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.85 +/- 0.91   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.49 +/- 2.76   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.2:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.25) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.72 +/- 1.95   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.41 +/- 1.33   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.67 +/- 2.20   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  33.76 +/- 2.25   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 = 3.13, residual support = 35.2:
    * O T HB    THR   26 - HA    THR   26   3.05 +/- 0.02  99.999% * 99.8279% (1.00  10.0 10.00   3.13  35.16) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  22.86 +/- 0.93   0.001% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.51 +/- 1.42   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.65 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.13, residual support = 35.2:
    * O T QG2   THR   26 - HA    THR   26   2.55 +/- 0.10  99.988% * 99.3101% (1.00  10.0 10.00   3.13  35.16) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.01 +/- 0.85   0.010% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.68 +/- 0.76   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  20.38 +/- 1.58   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.43 +/- 0.79   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  27.15 +/- 2.47   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.71 +/- 1.90   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.07 +/- 2.25   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.49 +/- 1.82   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.85 +/- 1.99   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 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.13, residual support = 35.2:
    * O T HA    THR   26 - HB    THR   26   3.05 +/- 0.02  99.475% * 99.6617% (1.00  10.0 10.00   3.13  35.16) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.77 +/- 0.10   0.363% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.10 +/- 0.38   0.146% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  13.85 +/- 0.64   0.012% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.84 +/- 3.57   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  20.95 +/- 1.03   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.16 +/- 1.28   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.03 +/- 1.08   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.61 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.2:
    * O T QG2   THR   26 - HB    THR   26   2.16 +/- 0.01  99.981% * 99.4369% (1.00  10.0 10.00   3.00  35.16) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   9.59 +/- 1.02   0.018% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  18.73 +/- 1.63   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.07 +/- 0.82   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.60 +/- 1.66   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.35 +/- 0.87   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  26.38 +/- 2.44   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.97 +/- 1.89   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.36 +/- 2.04   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.08 +/- 1.96   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.13, residual support = 35.2:
    * O T HA    THR   26 - QG2   THR   26   2.55 +/- 0.10  99.173% * 98.6211% (1.00  10.0 10.00   3.13  35.16) = 100.000%  kept
          HA    ILE   19 - QG2   THR   26   6.36 +/- 0.34   0.441% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG2   THR   26   6.59 +/- 0.15   0.353% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.09 +/- 0.68   0.029% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.94 +/- 2.80   0.003% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.03 +/- 0.96   0.000% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.32 +/- 0.77   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  18.00 +/- 0.75   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.2:
    * O T HB    THR   26 - QG2   THR   26   2.16 +/- 0.01  99.999% * 99.1149% (1.00  10.0 10.00   3.00  35.16) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  24.07 +/- 1.20   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  16.87 +/- 0.94   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 101.9:
    * O T HB2   TRP   27 - HA    TRP   27   2.93 +/- 0.08  99.974% * 99.8554% (1.00  10.0 10.00   4.44 101.93) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  11.92 +/- 0.71   0.025% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  18.85 +/- 1.32   0.002% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.9:
    * O T HB3   TRP   27 - HA    TRP   27   2.27 +/- 0.06  99.995% * 99.7166% (1.00  10.0 10.00   4.44 101.93) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  16.01 +/- 1.09   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.05 +/- 1.61   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.34 +/- 0.97   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.25 +/- 1.88   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.93 +/- 0.60   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 = 101.9:
    * O T HA    TRP   27 - HB2   TRP   27   2.93 +/- 0.08  99.995% * 99.7755% (1.00  10.0 10.00   4.44 101.93) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  17.08 +/- 1.77   0.003% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.86 +/- 1.52   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.89 +/- 1.33   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.9:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 101.93) = 100.000%  kept
          HB3   PHE   60 - HB2   TRP   27  15.78 +/- 2.07   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   TRP   27  17.00 +/- 1.48   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.47 +/- 2.21   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.08 +/- 0.95   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.68 +/- 0.65   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 = 101.9:
    * O T HA    TRP   27 - HB3   TRP   27   2.27 +/- 0.06  99.999% * 99.7755% (1.00  10.0 10.00   4.44 101.93) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.70 +/- 1.75   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.71 +/- 1.48   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.84 +/- 1.08   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.9:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.996% * 99.8554% (1.00  10.0 10.00   4.97 101.93) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.82 +/- 0.79   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.10 +/- 1.35   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 106.5:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.568% * 99.2152% (1.00  10.0 10.00   4.46 106.49) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.67 +/- 1.14   0.125% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   8.68 +/- 1.08   0.250% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  12.96 +/- 4.08   0.040% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.91 +/- 1.11   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.05 +/- 0.87   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  20.78 +/- 1.44   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 106.5:
    * O T HB3   ASN   28 - HA    ASN   28   2.45 +/- 0.05  99.747% * 99.8456% (1.00  10.0 10.00   4.20 106.49) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.72 +/- 0.34   0.252% *  0.0922% (0.92   1.0  1.00   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  21.51 +/- 3.07   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.53 +/- 4.42   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 106.5:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  92.793% * 99.0365% (1.00  10.0 10.00   4.46 106.49) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.05 +/- 0.24   4.768% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.87 +/- 0.42   2.022% *  0.0291% (0.29   1.0  1.00   0.02  18.79) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.67 +/- 1.14   0.117% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   9.91 +/- 2.77   0.240% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.05 +/- 0.36   0.025% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.95 +/- 4.08   0.012% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.30 +/- 0.98   0.015% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  15.76 +/- 1.82   0.006% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.83 +/- 1.84   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.39 +/- 2.63   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.80 +/- 6.15   0.001% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  29.08 +/- 1.47   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.23 +/- 1.93   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  31.26 +/- 4.81   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.89 +/- 1.89   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  25.06 +/- 3.10   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  31.24 +/- 1.80   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 106.5:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.981% * 99.4888% (1.00  10.0 10.00   5.40 106.49) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.68 +/- 0.29   0.015% *  0.0918% (0.92   1.0  1.00   0.02   8.76) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.15 +/- 1.00   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.65 +/- 1.04   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.06 +/- 3.00   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.13 +/- 3.36   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.25 +/- 4.27   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  22.59 +/- 5.19   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 106.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.45 +/- 0.05  99.713% * 99.4977% (1.00  10.0 10.00   4.20 106.49) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.62 +/- 0.21   0.269% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.62 +/- 0.33   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  14.60 +/- 4.19   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  16.16 +/- 2.12   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.45 +/- 1.90   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.73 +/- 2.41   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.53 +/- 1.54   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.86 +/- 4.96   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 106.5:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.990% * 99.2152% (1.00  10.0 10.00   5.40 106.49) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.15 +/- 1.00   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28   9.40 +/- 1.27   0.006% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  13.25 +/- 3.82   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.09 +/- 1.11   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.99 +/- 0.82   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  22.76 +/- 1.45   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 91.6:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.94 +/- 0.12  99.386% * 98.3644% (1.00  10.0 10.00   4.65  91.60) =  99.999%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.63 +/- 0.82   0.184% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    GLN   32   8.15 +/- 0.29   0.219% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  16.03 +/- 0.80   0.004% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  15.40 +/- 0.82   0.005% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.35 +/- 2.07   0.066% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  14.47 +/- 1.54   0.009% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  12.49 +/- 2.37   0.026% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.35 +/- 2.16   0.028% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.60 +/- 1.64   0.024% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.61 +/- 1.74   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  16.75 +/- 0.91   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  17.09 +/- 2.21   0.003% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.83 +/- 0.88   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.49 +/- 1.98   0.010% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.77 +/- 1.60   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.50 +/- 1.57   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  21.97 +/- 1.56   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.56 +/- 0.83   0.003% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.11 +/- 2.52   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.47 +/- 1.42   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.20 +/- 0.72   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.88 +/- 0.86   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.50 +/- 1.68   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.35 +/- 1.42   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.46 +/- 0.79   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.44 +/- 0.84   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.26 +/- 2.70   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.63 +/- 2.72   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.84 +/- 1.99   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.70 +/- 1.34   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  26.23 +/- 1.94   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.50 +/- 1.27   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 0.26 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.828, support = 5.1, residual support = 90.6:
      O   HB3   GLU-  29 - HA    GLU-  29   2.64 +/- 0.22  35.021% * 44.1406% (0.80  10.0  1.00   5.16  91.60) =  80.714%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.51 +/- 0.21   6.339% * 55.1249% (1.00  10.0 10.00   5.07  91.60) =  18.246%  kept
          QB    GLU-  36 - HA    LYS+  33   2.41 +/- 0.20  57.852% *  0.3441% (0.13   1.0  1.00   0.94   0.02) =   1.039%  kept
          QB    GLU-  36 - HA    GLN   32   5.29 +/- 0.38   0.550% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.37 +/- 0.89   0.018% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.23 +/- 0.63   0.037% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.68 +/- 0.72   0.061% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.59 +/- 0.31   0.061% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.73 +/- 0.45   0.026% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.83 +/- 0.26   0.024% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.46 +/- 0.32   0.008% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.00 +/- 0.38   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.06 +/- 0.92   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  25.67 +/- 1.46   0.000% *  0.0521% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  20.16 +/- 1.06   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.32 +/- 1.18   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.85 +/- 1.85   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  30.34 +/- 1.72   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 91.6:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.56 +/- 0.50  99.436% * 99.0116% (1.00  10.0 10.00   4.65  91.60) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.35 +/- 1.01   0.290% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLU-  29 - HA    GLN   32   7.54 +/- 0.52   0.258% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    GLU-  29  16.86 +/- 3.47   0.004% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.27 +/- 0.78   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  18.58 +/- 4.40   0.002% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.71 +/- 1.12   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  22.03 +/- 4.25   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.29 +/- 1.13   0.003% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.84 +/- 0.91   0.001% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.71 +/- 0.92   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.38 +/- 2.25   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.56 +/- 0.72   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.37 +/- 1.00   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.80 +/- 1.07   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.90 +/- 1.08   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  26.01 +/- 1.10   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.83 +/- 1.96   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.13 +/- 0.96   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.95 +/- 0.94   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.78 +/- 1.92   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 0.13 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 91.6:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.94 +/- 0.12  99.576% * 98.1508% (1.00  10.0 10.00   4.65  91.60) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.63 +/- 0.82   0.185% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.15 +/- 0.29   0.220% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  15.33 +/- 3.11   0.009% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  14.86 +/- 0.64   0.007% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  17.06 +/- 0.99   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.54 +/- 1.78   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  22.27 +/- 2.39   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.12 +/- 2.02   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.78 +/- 1.17   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 4.38, residual support = 91.6:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  85.119% * 44.1051% (0.80  10.0  1.00   4.39  91.60) =  82.083%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.36 +/- 0.14  14.878% * 55.0806% (1.00  10.0 10.00   4.35  91.60) =  17.917%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.90 +/- 0.87   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  14.03 +/- 1.06   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  24.75 +/- 1.38   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.82 +/- 0.66   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 91.6:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.81 +/- 0.22  99.992% * 99.6674% (1.00  10.0 10.00   4.00  91.60) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  16.83 +/- 3.06   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.45 +/- 0.83   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.34 +/- 0.98   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.74 +/- 1.00   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  26.57 +/- 2.31   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.67 +/- 1.23   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 91.6:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.56 +/- 0.50  99.441% * 98.1508% (1.00  10.0 10.00   4.65  91.60) =  99.996%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.35 +/- 1.01   0.290% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG2   GLU-  29   7.54 +/- 0.52   0.258% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  16.23 +/- 3.33   0.005% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  16.77 +/- 1.23   0.003% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  18.21 +/- 1.49   0.002% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.40 +/- 1.71   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  23.26 +/- 2.44   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.74 +/- 2.46   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.58 +/- 1.10   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 91.6:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.81 +/- 0.22  99.965% * 99.5124% (1.00  10.0 10.00   4.00  91.60) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  14.48 +/- 1.88   0.011% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  15.18 +/- 2.31   0.014% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  16.60 +/- 0.96   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.97 +/- 1.33   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  19.06 +/- 2.40   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.75 +/- 0.97   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  22.37 +/- 1.61   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  25.19 +/- 1.56   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.29 +/- 2.77   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.25 +/- 1.28   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.40 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 4.14, residual support = 91.6:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  93.585% * 55.3193% (1.00  10.0 10.00   4.12  91.60) =  94.801%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.80 +/- 0.21   6.410% * 44.2962% (0.80  10.0 10.00   4.39  91.60) =   5.199%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.42 +/- 0.88   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.72 +/- 0.81   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.67 +/- 0.88   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  26.09 +/- 1.48   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.91, support = 4.75, residual support = 154.4:
      O T HG3   GLN   30 - HA    GLN   30   2.38 +/- 0.46  71.108% * 46.1414% (0.87  10.0 10.00   4.64 154.37) =  68.112%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.81 +/- 0.13  28.878% * 53.1933% (1.00  10.0 10.00   4.99 154.37) =  31.888%  kept
          QB    GLU-  15 - HA    GLN   30  11.60 +/- 1.42   0.011% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  20.57 +/- 1.66   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  15.49 +/- 2.03   0.001% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.44 +/- 0.88   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.64 +/- 1.69   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.16 +/- 2.14   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.47 +/- 2.07   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.57 +/- 2.46   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.73 +/- 2.21   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.2, residual support = 152.5:
    * O T HB3   GLN   30 - HA    GLN   30   2.91 +/- 0.11  60.899% * 97.6674% (1.00  10.0 10.00   5.24 154.37) =  98.814%  kept
          QB    LYS+  33 - HA    GLN   30   3.22 +/- 0.64  39.087% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   1.186%  kept
          HB3   LYS+  38 - HA    GLN   30  13.30 +/- 0.54   0.007% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.30 +/- 1.19   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.05 +/- 3.96   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.69 +/- 1.65   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.03 +/- 1.34   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.29 +/- 1.30   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.87 +/- 1.36   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  20.27 +/- 1.51   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.50 +/- 1.31   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.45 +/- 2.19   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 154.4:
    * O T HG2   GLN   30 - HA    GLN   30   3.28 +/- 0.48  99.169% * 99.8053% (1.00  10.0 10.00   5.61 154.37) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.55 +/- 0.08   0.826% *  0.0921% (0.92   1.0  1.00   0.02   8.76) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  21.21 +/- 2.76   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.10 +/- 4.07   0.003% *  0.0340% (0.34   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 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 154.4:
    * O T HA    GLN   30 - HB2   GLN   30   2.81 +/- 0.13  99.733% * 99.6678% (1.00  10.0 10.00   4.99 154.37) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.52 +/- 1.30   0.179% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.58 +/- 0.83   0.070% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  16.21 +/- 4.04   0.008% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.29 +/- 2.07   0.009% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.22 +/- 0.72   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.30 +/- 1.45   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  19.76 +/- 2.52   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.40 +/- 1.40   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 154.4:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.778% * 98.9590% (1.00  10.0 10.00   4.26 154.37) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   5.06 +/- 0.57   0.221% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.35 +/- 1.30   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.84 +/- 0.73   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  17.13 +/- 1.97   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.50 +/- 1.36   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.12 +/- 2.13   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.88 +/- 1.41   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.57 +/- 3.85   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.80 +/- 1.41   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.39 +/- 1.72   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.16 +/- 1.51   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 154.4:
    * O T HG2   GLN   30 - HB2   GLN   30   2.57 +/- 0.23  99.806% * 99.8053% (1.00  10.0 10.00   5.66 154.37) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.36 +/- 0.65   0.192% *  0.0921% (0.92   1.0  1.00   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.72 +/- 2.84   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.44 +/- 4.31   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 154.4:
    * O T HA    GLN   30 - HB3   GLN   30   2.91 +/- 0.11  99.723% * 99.5115% (1.00  10.0 10.00   5.24 154.37) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   8.65 +/- 1.00   0.178% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.77 +/- 0.95   0.079% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  15.96 +/- 3.76   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.50 +/- 1.97   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.45 +/- 1.46   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.14 +/- 0.83   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.17 +/- 1.43   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  19.48 +/- 2.50   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.993, support = 4.3, residual support = 154.4:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  93.562% * 53.1733% (1.00  10.0 10.00   4.26 154.37) =  94.370%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.78 +/- 0.17   6.435% * 46.1240% (0.87  10.0  1.00   4.96 154.37) =   5.630%  kept
          HB3   GLU- 100 - HB3   GLN   30  15.31 +/- 2.11   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.00 +/- 1.46   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  25.34 +/- 2.14   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.53 +/- 2.19   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.78 +/- 0.82   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.20 +/- 1.69   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  17.90 +/- 1.68   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.50 +/- 2.45   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.96 +/- 2.17   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 = 5.83, residual support = 154.4:
    * O T HG2   GLN   30 - HB3   GLN   30   2.59 +/- 0.30  99.744% * 99.8053% (1.00  10.0 10.00   5.83 154.37) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.10 +/- 0.57   0.254% *  0.0921% (0.92   1.0  1.00   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  19.68 +/- 2.75   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.52 +/- 3.91   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 154.4:
    * O T HA    GLN   30 - HG2   GLN   30   3.28 +/- 0.48  99.629% * 99.6678% (1.00  10.0 10.00   5.61 154.37) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30   9.74 +/- 0.91   0.203% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.56 +/- 0.89   0.107% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  13.26 +/- 2.15   0.039% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  16.25 +/- 3.35   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  20.86 +/- 1.16   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.10 +/- 1.49   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.22 +/- 2.29   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.97 +/- 1.59   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.883, support = 6.0, residual support = 154.4:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  89.634% * 46.1414% (0.87  10.0 10.00   6.04 154.37) =  88.239%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.57 +/- 0.23  10.363% * 53.1933% (1.00  10.0 10.00   5.66 154.37) =  11.761%  kept
        T HB2   PRO   93 - HG2   GLN   30  18.13 +/- 1.75   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.23 +/- 0.97   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.29 +/- 0.65   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  17.33 +/- 2.00   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.82 +/- 1.70   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  20.65 +/- 2.35   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  22.94 +/- 2.50   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.63 +/- 1.98   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.88 +/- 2.52   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 154.4:
    * O T HB3   GLN   30 - HG2   GLN   30   2.59 +/- 0.30  97.472% * 99.4599% (1.00  10.0 10.00   5.83 154.37) =  99.999%  kept
          QB    LYS+  33 - HG2   GLN   30   5.81 +/- 0.81   2.518% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.001%
          HB3   LYS+  38 - HG2   GLN   30  15.46 +/- 0.71   0.003% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.41 +/- 1.44   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.80 +/- 1.40   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.86 +/- 1.37   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.85 +/- 1.56   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  18.44 +/- 3.48   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.33 +/- 1.46   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.69 +/- 1.47   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.37 +/- 1.24   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.53 +/- 2.49   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  99.658% * 99.2507% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   9.19 +/- 1.69   0.188% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.04 +/- 0.72   0.081% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.49 +/- 1.27   0.039% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  15.37 +/- 3.24   0.009% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.13 +/- 0.97   0.010% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  17.07 +/- 1.36   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  16.36 +/- 2.24   0.005% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.31 +/- 4.74   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  19.20 +/- 2.88   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.49 +/- 1.71   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.71 +/- 2.54   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB3   LEU   31 - HA    LEU   31   2.42 +/- 0.07  99.974% * 99.6763% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.46 +/- 0.76   0.017% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.15 +/- 0.37   0.006% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  21.21 +/- 2.85   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.20 +/- 0.98   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  17.08 +/- 0.65   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.56 +/- 2.69   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  27.81 +/- 2.05   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 231.4:
    * O T HG    LEU   31 - HA    LEU   31   3.21 +/- 0.49  56.258% * 99.6594% (0.80  10.0 10.00   5.99 231.46) =  99.972%  kept
          QG1   VAL   41 - HA    LEU   31   3.47 +/- 0.57  41.407% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.023%
          QD2   LEU   73 - HA    LEU   31   6.19 +/- 0.90   2.332% *  0.1149% (0.92   1.0  1.00   0.02   3.36) =   0.005%
          QD1   ILE   56 - HA    LEU   31  18.88 +/- 1.00   0.002% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.78 +/- 2.36   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.15 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.5:
    *   T QD1   LEU   31 - HA    LEU   31   3.68 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.85 231.46) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.36 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.5:
    *   T QD2   LEU   31 - HA    LEU   31   2.35 +/- 0.54  99.719% * 99.6345% (1.00 10.00   5.74 231.46) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.55 +/- 0.79   0.251% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  12.10 +/- 3.20   0.024% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  15.28 +/- 2.91   0.007% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.993% * 99.6763% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.05 +/- 0.73   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.89 +/- 0.27   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  23.23 +/- 2.79   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.35 +/- 1.21   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  18.07 +/- 0.85   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.54 +/- 2.86   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  29.23 +/- 2.34   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 = 231.5:
    * O T HG    LEU   31 - HB2   LEU   31   2.59 +/- 0.30  98.014% * 99.6594% (0.80  10.0 10.00   6.02 231.46) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.33 +/- 0.48   1.766% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.75 +/- 0.83   0.219% *  0.1149% (0.92   1.0  1.00   0.02   3.36) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.97 +/- 1.25   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.66 +/- 2.58   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.5:
    * O T QD1   LEU   31 - HB2   LEU   31   2.47 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.46) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T QD2   LEU   31 - HB2   LEU   31   2.89 +/- 0.44  99.447% * 99.6345% (1.00  10.0 10.00   5.76 231.46) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.78 +/- 1.01   0.454% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31  10.99 +/- 2.98   0.088% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  14.59 +/- 2.67   0.010% *  0.0447% (0.45   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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HA    LEU   31 - HB3   LEU   31   2.42 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.986% * 99.2507% (1.00  10.0 10.00   6.00 231.46) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.91 +/- 2.07   0.010% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.75 +/- 0.96   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.99 +/- 1.26   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  14.92 +/- 3.27   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.84 +/- 1.09   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  15.78 +/- 2.37   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.34 +/- 1.59   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  18.13 +/- 3.06   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.42 +/- 4.74   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  19.71 +/- 1.85   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.69 +/- 2.61   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 = 231.4:
    * O T HG    LEU   31 - HB3   LEU   31   2.76 +/- 0.29  87.890% * 98.0242% (0.80  10.0 10.00   6.01 231.46) =  99.992%  kept
          QG1   VAL   41 - HB3   LEU   31   4.13 +/- 0.59  11.849% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - HB3   LEU   31   7.56 +/- 0.81   0.260% *  1.1301% (0.92   1.0 10.00   0.02   3.36) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  21.27 +/- 2.68   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  19.45 +/- 1.14   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.5:
    * O T QD1   LEU   31 - HB3   LEU   31   2.30 +/- 0.35 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.46) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T QD2   LEU   31 - HB3   LEU   31   2.80 +/- 0.27  99.571% * 99.6345% (1.00  10.0 10.00   5.76 231.46) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.52 +/- 0.95   0.372% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31  11.41 +/- 3.25   0.047% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  14.58 +/- 2.90   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.99, residual support = 231.5:
    * O T HA    LEU   31 - HG    LEU   31   3.21 +/- 0.49 100.000% *100.0000% (0.80  10.0 10.00   5.99 231.46) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 231.5:
    * O T HB2   LEU   31 - HG    LEU   31   2.59 +/- 0.30  99.492% * 99.2507% (0.80  10.0 10.00   6.02 231.46) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   9.07 +/- 2.77   0.442% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  12.76 +/- 3.24   0.015% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  13.27 +/- 2.00   0.016% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.67 +/- 1.24   0.015% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.16 +/- 1.16   0.009% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  14.13 +/- 2.20   0.006% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.22 +/- 1.52   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  16.96 +/- 2.70   0.002% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.45 +/- 4.27   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.03 +/- 1.75   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.62 +/- 2.69   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.5:
    * O T HB3   LEU   31 - HG    LEU   31   2.76 +/- 0.29  99.688% * 99.4283% (0.80  10.0 10.00   6.01 231.46) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.26 +/- 1.16   0.283% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.73 +/- 0.58   0.022% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.09 +/- 2.69   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.36 +/- 2.73   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.74 +/- 1.60   0.004% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.42 +/- 1.24   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  27.21 +/- 2.60   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.99, residual support = 231.5:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   4.99 231.46) = 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 = 231.5:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  99.675% * 99.6345% (0.80  10.0 10.00   5.89 231.46) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   6.09 +/- 1.15   0.295% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   9.80 +/- 3.15   0.027% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  13.23 +/- 2.71   0.003% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.5:
    *   T HA    LEU   31 - QD1   LEU   31   3.68 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.85 231.46) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.5:
    * O T HB2   LEU   31 - QD1   LEU   31   2.47 +/- 0.18  99.134% * 99.2507% (1.00  10.0 10.00   4.87 231.46) = 100.000%  kept
          HG    LEU   98 - QD1   LEU   31   7.04 +/- 2.32   0.741% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31  10.25 +/- 2.80   0.044% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  11.13 +/- 1.26   0.016% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.96 +/- 0.92   0.015% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  11.05 +/- 0.79   0.015% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  11.20 +/- 2.00   0.020% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  13.24 +/- 2.52   0.008% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.64 +/- 1.41   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.69 +/- 1.54   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  19.01 +/- 3.52   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.79 +/- 2.21   0.000% *  0.0984% (0.99   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.5:
    * O T HB3   LEU   31 - QD1   LEU   31   2.30 +/- 0.35  99.165% * 99.6763% (1.00  10.0 10.00   4.87 231.46) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.61 +/- 0.96   0.792% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.45 +/- 0.70   0.033% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.92 +/- 2.26   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.89 +/- 1.27   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.36 +/- 0.90   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.31 +/- 2.48   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.53 +/- 2.04   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.99, residual support = 231.5:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  98.006% * 99.6594% (0.80  10.0 10.00   4.99 231.46) =  99.999%  kept
          QD2   LEU   73 - QD1   LEU   31   5.92 +/- 1.04   0.520% *  0.1149% (0.92   1.0  1.00   0.02   3.36) =   0.001%
          QG1   VAL   41 - QD1   LEU   31   4.42 +/- 0.57   1.472% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.12 +/- 1.12   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.49 +/- 2.31   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.5:
    * O T QD2   LEU   31 - QD1   LEU   31   2.03 +/- 0.06  98.579% * 99.6345% (1.00  10.0 10.00   4.62 231.46) =  99.997%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.71 +/- 0.99   1.278% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - QD1   LEU   31   7.57 +/- 2.82   0.133% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31  10.28 +/- 2.43   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.5:
    *   T HA    LEU   31 - QD2   LEU   31   2.35 +/- 0.54  99.749% * 99.9324% (1.00 10.00   5.74 231.46) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.55 +/- 0.79   0.251% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HB2   LEU   31 - QD2   LEU   31   2.89 +/- 0.44  92.992% * 98.7715% (1.00  10.0 10.00   5.76 231.46) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   7.23 +/- 1.91   1.143% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.78 +/- 1.01   0.421% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  11.64 +/- 2.17   0.038% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.59 +/- 0.43   2.522% *  0.0054% (0.05   1.0  1.00   0.02  15.33) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  10.49 +/- 3.16   0.093% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.05 +/- 0.95   0.088% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.68 +/- 1.38   0.071% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.83 +/- 2.02   1.521% *  0.0035% (0.04   1.0  1.00   0.02   0.32) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.49 +/- 0.81   0.064% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   8.43 +/- 2.36   0.344% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.31 +/- 1.56   0.020% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.70 +/- 1.59   0.237% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.01 +/- 1.39   0.250% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.29 +/- 1.01   0.077% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.26 +/- 1.44   0.011% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  14.21 +/- 2.55   0.011% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.97 +/- 3.93   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.09 +/- 1.95   0.053% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.36 +/- 0.79   0.021% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.76 +/- 1.90   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.77 +/- 2.04   0.005% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.55 +/- 0.71   0.007% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.12 +/- 2.49   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HB3   LEU   31 - QD2   LEU   31   2.80 +/- 0.27  95.742% * 99.5873% (1.00  10.0 10.00   5.76 231.46) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   6.95 +/- 0.86   0.664% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.52 +/- 0.95   0.358% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   6.65 +/- 1.69   2.679% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.04 +/- 0.40   0.095% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.50 +/- 0.73   0.173% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.83 +/- 2.58   0.003% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.52 +/- 0.92   0.014% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.00 +/- 1.00   0.137% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.09 +/- 0.61   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   9.22 +/- 0.73   0.103% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.58 +/- 1.81   0.013% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.75 +/- 2.72   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.81 +/- 1.98   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  17.21 +/- 1.62   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.54 +/- 1.70   0.004% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 231.4:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  77.654% * 99.5693% (0.80  10.0 10.00   5.89 231.46) =  99.991%  kept
          QG1   VAL   41 - QD2   LEU   31   3.62 +/- 1.02  11.424% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QD2   LEU   31   4.41 +/- 0.88   2.281% *  0.1148% (0.92   1.0  1.00   0.02   3.36) =   0.003%
          QD2   LEU   73 - QG2   VAL   43   4.43 +/- 1.41   8.287% *  0.0078% (0.06   1.0  1.00   0.02   7.84) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.09 +/- 1.15   0.230% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.42 +/- 0.49   0.116% *  0.0021% (0.02   1.0  1.00   0.02   1.73) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.49 +/- 1.11   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.51 +/- 0.78   0.006% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  17.01 +/- 2.50   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.61 +/- 1.69   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.5:
    * O T QD1   LEU   31 - QD2   LEU   31   2.03 +/- 0.06  98.721% * 99.9324% (1.00  10.0 10.00   4.62 231.46) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.71 +/- 0.99   1.279% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.02, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.08  68.255% * 48.6885% (0.69  10.0 10.00   2.96  44.20) =  94.646%  kept
        T QB    GLN   32 - HA    LYS+  33   4.05 +/- 0.18   3.574% * 50.1038% (0.71   1.0 10.00   4.38  11.31) =   5.100%  kept
        T QB    GLN   32 - HA    GLU-  29   2.90 +/- 0.25  28.138% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.254%
          HB    VAL   24 - HA    GLU-  29  10.62 +/- 0.41   0.011% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  12.64 +/- 2.06   0.008% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  12.86 +/- 2.19   0.006% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.34 +/- 0.40   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.64 +/- 0.57   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.89 +/- 1.86   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.72 +/- 1.53   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  17.20 +/- 2.06   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.82 +/- 1.55   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.14 +/- 1.74   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.42 +/- 1.48   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.81 +/- 1.65   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.11 +/- 1.39   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.03 +/- 2.78   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.64 +/- 1.44   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.50 +/- 2.33   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.23 +/- 2.68   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.82 +/- 1.43   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.01, residual support = 43.0:
    * O T QG    GLN   32 - HA    GLN   32   2.28 +/- 0.26  90.701% * 48.7402% (0.69  10.0 10.00   2.96  44.20) =  96.423%  kept
        T QG    GLN   32 - HA    LYS+  33   4.67 +/- 0.77   3.231% * 50.1570% (0.71   1.0 10.00   4.38  11.31) =   3.535%  kept
        T QG    GLN   32 - HA    GLU-  29   4.33 +/- 0.77   6.059% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.042%
        T HB2   GLU- 100 - HA    GLN   32  13.04 +/- 1.62   0.003% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.91 +/- 1.61   0.002% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.05 +/- 1.00   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  17.73 +/- 1.70   0.000% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  18.04 +/- 1.02   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.00 +/- 1.14   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.13 +/- 0.96   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.27 +/- 0.78   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.84 +/- 0.91   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.95 +/- 0.94   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.95 +/- 2.00   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.56 +/- 0.72   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.80 +/- 1.07   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.49 +/- 1.65   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.83 +/- 1.96   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.78 +/- 1.92   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.38 +/- 2.25   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.94 +/- 1.67   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.692, support = 3.02, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.08  68.275% * 46.7473% (0.69  10.0 10.00   2.96  44.20) =  94.017%  kept
        T HA    LYS+  33 - QB    GLN   32   4.05 +/- 0.18   3.575% * 52.0093% (0.76   1.0 10.00   4.38  11.31) =   5.477%  kept
        T HA    GLU-  29 - QB    GLN   32   2.90 +/- 0.25  28.146% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.506%  kept
          HA    VAL   18 - QB    GLN   32  15.35 +/- 0.63   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  17.00 +/- 3.40   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.31 +/- 1.02   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.71 +/- 1.22   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  21.89 +/- 2.85   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.76 +/- 1.06   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.69 +/- 2.03   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  99.997% * 99.7611% (1.00  10.0 10.00   3.00  44.20) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.96 +/- 0.94   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.85 +/- 1.41   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.82 +/- 0.73   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.64 +/- 0.89   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.22 +/- 1.90   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.48 +/- 1.52   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.689, support = 3.01, residual support = 42.9:
    * O T HA    GLN   32 - QG    GLN   32   2.28 +/- 0.26  90.707% * 46.7583% (0.69  10.0 10.00   2.96  44.20) =  96.107%  kept
        T HA    LYS+  33 - QG    GLN   32   4.67 +/- 0.77   3.231% * 52.0216% (0.76   1.0 10.00   4.38  11.31) =   3.809%  kept
        T HA    GLU-  29 - QG    GLN   32   4.33 +/- 0.77   6.059% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.084%
          HB2   SER   82 - QG    GLN   32  17.85 +/- 3.84   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.74 +/- 0.86   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  15.08 +/- 0.87   0.001% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.56 +/- 2.01   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  22.51 +/- 3.23   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.97 +/- 1.44   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.83 +/- 1.56   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  99.994% * 99.6746% (1.00  10.0 10.00   3.00  44.20) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  12.87 +/- 1.11   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  13.11 +/- 1.95   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.99 +/- 1.43   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.09 +/- 1.35   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.00 +/- 2.50   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.89 +/- 1.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 149.8:
    * O T QB    LYS+  33 - HA    LYS+  33   2.21 +/- 0.04  98.643% * 96.5845% (1.00  10.0 10.00   6.19 149.82) =  99.997%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.91 +/- 0.96   0.475% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HA    GLN   32   5.41 +/- 0.21   0.462% *  0.2484% (0.26   1.0 10.00   0.02  11.31) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.99 +/- 0.41   0.280% *  0.0067% (0.07   1.0  1.00   0.02  19.29) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.77 +/- 0.43   0.055% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.84 +/- 0.23   0.013% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.61 +/- 0.19   0.060% *  0.0062% (0.06   1.0  1.00   0.02   1.65) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.79 +/- 1.77   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  23.08 +/- 1.99   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.99 +/- 0.29   0.007% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  21.06 +/- 2.13   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  19.64 +/- 1.54   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.41 +/- 1.11   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.46 +/- 0.99   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.12 +/- 1.66   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.65 +/- 1.49   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.59 +/- 0.33   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.98 +/- 1.11   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.12 +/- 1.36   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  20.03 +/- 1.87   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.90 +/- 1.81   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.19 +/- 1.72   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  22.34 +/- 1.24   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  23.07 +/- 1.81   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.50 +/- 1.19   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  30.04 +/- 1.56   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.88 +/- 1.35   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  28.27 +/- 1.20   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.25 +/- 1.99   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  25.54 +/- 1.19   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.97 +/- 4.59   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.13 +/- 1.80   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  27.51 +/- 1.71   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.85 +/- 2.40   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.18 +/- 1.68   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.99 +/- 1.46   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.25 +/- 1.35   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.97 +/- 2.04   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  25.29 +/- 1.54   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  28.99 +/- 4.31   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  30.39 +/- 3.79   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.35 +/- 1.55   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.992, support = 5.98, residual support = 148.3:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.19 +/- 0.28  90.412% * 76.3092% (1.00  10.0 10.00   6.00 149.82) =  98.873%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.92 +/- 0.91   3.952% * 19.6245% (0.26   1.0 10.00   4.19  11.31) =   1.111%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.50 +/- 1.84   5.043% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.015%
          QB    ALA   12 - HA    LYS+  33  13.85 +/- 2.96   0.108% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  18.08 +/- 1.47   0.003% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.54 +/- 0.73   0.028% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  12.11 +/- 1.04   0.038% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.82 +/- 0.58   0.071% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  16.20 +/- 1.84   0.007% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.56 +/- 0.65   0.017% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.62 +/- 1.53   0.100% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  22.02 +/- 1.58   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.67 +/- 1.13   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.51 +/- 0.66   0.028% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  16.50 +/- 3.32   0.019% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  20.39 +/- 1.69   0.002% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.89 +/- 0.77   0.015% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  20.03 +/- 1.27   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.19 +/- 1.63   0.025% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.79 +/- 0.73   0.010% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.89 +/- 1.62   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.35 +/- 1.14   0.014% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.36 +/- 3.01   0.009% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.27 +/- 1.35   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.11 +/- 1.35   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.72 +/- 1.55   0.032% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.28 +/- 0.82   0.004% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.85 +/- 0.65   0.010% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  14.73 +/- 2.02   0.012% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.05 +/- 1.73   0.011% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  16.40 +/- 1.73   0.006% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  20.75 +/- 2.14   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  20.13 +/- 2.58   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.57 +/- 0.67   0.004% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  18.68 +/- 2.15   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  18.18 +/- 2.36   0.003% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  25.32 +/- 2.83   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  24.96 +/- 1.65   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.71 +/- 1.34   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  22.83 +/- 1.61   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  23.93 +/- 1.74   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  25.29 +/- 2.88   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.21 +/- 1.92   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.27 +/- 2.61   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.36 +/- 1.34   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.77, residual support = 148.8:
    *   T QD    LYS+  33 - HA    LYS+  33   3.39 +/- 0.73  93.390% * 76.4468% (1.00 10.00   4.79 149.82) =  99.286%  kept
        T QD    LYS+  33 - HA    GLN   32   6.51 +/- 1.30   2.027% * 19.6599% (0.26 10.00   3.10  11.31) =   0.554%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.41 +/- 1.47   4.557% *  2.5309% (0.28 10.00   0.24   0.02) =   0.160%
          HD2   LYS+  74 - HA    LYS+  33  19.03 +/- 0.95   0.005% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.43 +/- 2.24   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.89 +/- 0.72   0.010% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.06 +/- 1.38   0.001% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  27.87 +/- 5.17   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.06 +/- 0.75   0.005% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.47 +/- 2.22   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.20 +/- 2.28   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.89 +/- 1.56   0.002% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.33 +/- 1.43   0.001% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.97 +/- 4.91   0.000% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.56 +/- 4.35   0.000% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.26 +/- 2.07   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.76 +/- 2.41   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.90 +/- 2.07   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.17 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.76, support = 4.85, residual support = 110.6:
    *   T QE    LYS+  33 - HA    LYS+  33   3.97 +/- 0.83  25.532% * 50.1199% (1.00 10.00   5.42 149.82) =  69.430%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.85 +/- 0.11  22.730% * 13.7158% (0.27 10.00   4.71  34.48) =  16.915%  kept
        T HB2   ASN   35 - HA    GLN   32   3.64 +/- 0.88  42.774% *  4.3967% (0.09 10.00   2.05   5.78) =  10.204%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.44 +/- 0.21   2.801% * 17.0963% (0.34 10.00   2.02   1.51) =   2.598%  kept
        T QE    LYS+  33 - HA    GLN   32   6.65 +/- 1.17   1.166% * 12.8894% (0.26 10.00   3.28  11.31) =   0.815%  kept
        T QE    LYS+  33 - HA    GLU-  29   5.94 +/- 1.41   4.410% *  0.1399% (0.28 10.00   0.02   0.02) =   0.033%
        T HB2   ASN   28 - HA    GLN   32   7.72 +/- 0.36   0.367% *  0.1263% (0.25 10.00   0.02   0.02) =   0.003%
        T HB2   ASN   28 - HA    LYS+  33  10.35 +/- 0.58   0.063% *  0.4913% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.96 +/- 0.81   0.130% *  0.0477% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.01 +/- 1.54   0.001% *  0.4495% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.45 +/- 1.17   0.004% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.01 +/- 1.26   0.001% *  0.1116% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  21.84 +/- 1.54   0.001% *  0.1255% (0.25 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.87 +/- 1.40   0.001% *  0.1156% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  15.44 +/- 1.45   0.007% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  17.14 +/- 3.52   0.004% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.12 +/- 1.19   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  22.13 +/- 4.35   0.001% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  18.82 +/- 4.45   0.002% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.87 +/- 0.87   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.77 +/- 1.19   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  18.04 +/- 1.29   0.002% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.54 +/- 1.00   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  20.21 +/- 1.14   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 149.8:
    * O T HA    LYS+  33 - QB    LYS+  33   2.21 +/- 0.04  98.560% * 98.1731% (1.00  10.0 10.00   6.19 149.82) =  99.994%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.91 +/- 0.96   0.476% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - QB    LYS+  33   5.41 +/- 0.21   0.462% *  0.2730% (0.28   1.0 10.00   0.02  11.31) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.79 +/- 0.81   0.487% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33  10.77 +/- 1.34   0.011% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  12.13 +/- 0.84   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  19.31 +/- 3.44   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.32 +/- 2.44   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.09 +/- 1.29   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.36 +/- 0.96   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.88 +/- 2.88   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 149.8:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.46 +/- 0.09  99.041% * 96.3761% (1.00  10.0 10.00   6.19 149.82) =  99.999%  kept
          QB    ALA   12 - QB    LYS+  33  11.23 +/- 2.64   0.875% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LEU   98 - QB    LYS+  33  10.68 +/- 0.95   0.017% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.42 +/- 0.82   0.036% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.82 +/- 0.80   0.015% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.75 +/- 1.25   0.001% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.78 +/- 1.62   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.82 +/- 0.96   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.46 +/- 0.83   0.004% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.49 +/- 0.91   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  16.66 +/- 2.44   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  17.56 +/- 1.95   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.79 +/- 1.54   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.81 +/- 2.68   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.75 +/- 1.43   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 149.8:
    * O T QD    LYS+  33 - QB    LYS+  33   2.30 +/- 0.24  99.998% * 97.3258% (1.00  10.0 10.00   5.06 149.82) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.10 +/- 0.99   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  23.81 +/- 4.70   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.00 +/- 1.33   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.69 +/- 1.95   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.97 +/- 1.94   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 149.8:
    *   T QE    LYS+  33 - QB    LYS+  33   2.71 +/- 0.69  98.702% * 98.6189% (1.00 10.00   5.63 149.82) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.51 +/- 0.36   1.093% *  0.0336% (0.34  1.00   0.02   1.51) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.78 +/- 0.82   0.160% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.02 +/- 1.55   0.004% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.04 +/- 1.18   0.003% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  12.98 +/- 1.60   0.034% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  19.07 +/- 3.84   0.002% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.37 +/- 1.19   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 = 148.0:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.19 +/- 0.28  84.581% * 74.2013% (1.00  10.0 10.00   6.00 149.82) =  98.687%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.92 +/- 0.91   3.869% * 20.6307% (0.28   1.0 10.00   4.19  11.31) =   1.255%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.50 +/- 1.84   4.964% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.056%
          HB2   SER   37 - HG3   LYS+  33   6.49 +/- 1.96   5.502% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   7.49 +/- 1.25   0.883% *  0.0606% (0.82   1.0  1.00   0.02   0.16) =   0.001%
          HA    VAL   70 - HG3   LYS+  33  12.02 +/- 1.06   0.034% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.55 +/- 0.73   0.026% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.15 +/- 1.57   0.032% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.64 +/- 0.71   0.017% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  18.08 +/- 1.47   0.003% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.43 +/- 1.46   0.013% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  16.20 +/- 1.84   0.007% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.99 +/- 1.15   0.015% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  22.02 +/- 1.58   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  20.39 +/- 1.69   0.002% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.67 +/- 1.13   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.89 +/- 1.62   0.001% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.00 +/- 1.94   0.015% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.27 +/- 1.35   0.001% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.22 +/- 2.36   0.003% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.03 +/- 1.27   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.55 +/- 1.28   0.004% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  21.44 +/- 3.73   0.002% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.11 +/- 1.35   0.001% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.78 +/- 2.41   0.002% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.30 +/- 1.56   0.006% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  20.07 +/- 3.15   0.003% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  24.06 +/- 3.22   0.001% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  22.08 +/- 1.56   0.001% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.20 +/- 1.29   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.63 +/- 1.74   0.001% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.97 +/- 2.35   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.98 +/- 1.25   0.002% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  27.10 +/- 2.18   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.01 +/- 1.63   0.000% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.36 +/- 1.36   0.001% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  27.63 +/- 1.82   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  28.03 +/- 4.04   0.000% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.46 +/- 3.36   0.000% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  26.27 +/- 4.21   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.08 +/- 1.53   0.000% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.10 +/- 2.50   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.00 +/- 1.57   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.35 +/- 3.07   0.000% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.839, support = 6.09, residual support = 144.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.46 +/- 0.09  46.150% * 60.0127% (1.00  10.0 10.00   6.19 149.82) =  59.625%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.41 +/- 0.06  51.986% * 36.0742% (0.60  10.0 10.00   5.95 135.76) =  40.374%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.21 +/- 0.21   0.532% *  0.0374% (0.62   1.0  1.00   0.02  21.79) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   6.29 +/- 1.46   0.465% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.35 +/- 0.99   0.361% *  0.0282% (0.47   1.0  1.00   0.02  22.47) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   5.94 +/- 1.14   0.443% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  12.01 +/- 1.20   0.005% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65   9.60 +/- 1.40   0.020% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.77 +/- 1.49   0.010% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.37 +/- 1.32   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.78 +/- 1.62   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.38 +/- 1.11   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.75 +/- 1.25   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.98 +/- 1.51   0.005% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.81 +/- 3.72   0.004% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.82 +/- 0.96   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.07 +/- 1.46   0.005% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.40 +/- 2.19   0.002% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  17.30 +/- 2.18   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.32 +/- 1.30   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.45 +/- 2.12   0.001% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  18.33 +/- 1.32   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.13 +/- 1.38   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.71 +/- 2.83   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  19.05 +/- 1.00   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.37 +/- 1.43   0.002% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  20.68 +/- 1.40   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.20 +/- 2.36   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.93 +/- 1.52   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.71 +/- 2.12   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.69 +/- 2.32   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.33 +/- 1.28   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  17.81 +/- 1.32   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.68 +/- 1.48   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  21.83 +/- 2.06   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.58 +/- 1.47   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.83 +/- 1.27   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.19 +/- 1.32   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.87 +/- 1.85   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.12 +/- 1.53   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.62 +/- 1.13   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  27.21 +/- 1.78   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  28.47 +/- 1.85   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.30 +/- 1.10   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.12 +/- 1.99   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.50 +/- 3.77   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  26.80 +/- 2.44   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.13 +/- 1.69   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  28.08 +/- 2.48   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.51 +/- 1.76   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.64 +/- 3.90   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.41 +/- 2.19   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.58 +/- 1.33   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.84 +/- 3.08   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.21 +/- 1.90   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.22 +/- 1.73   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.8:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.29 +/- 0.13  99.951% * 94.8130% (1.00  10.0 10.00   4.55 149.82) = 100.000%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.78 +/- 2.68   0.005% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.71 +/- 1.39   0.028% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.61 +/- 1.73   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  11.91 +/- 1.49   0.007% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.74 +/- 1.44   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.64 +/- 1.44   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.05 +/- 2.28   0.002% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.27 +/- 4.01   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.14 +/- 1.89   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.95 +/- 2.99   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.11 +/- 1.17   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.90 +/- 1.03   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.40 +/- 1.14   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.23 +/- 1.39   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.95 +/- 2.30   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  22.21 +/- 4.38   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  18.35 +/- 2.32   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  26.62 +/- 4.51   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.73 +/- 1.79   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.15 +/- 1.35   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.38 +/- 1.76   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.13 +/- 2.05   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.24 +/- 2.53   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 0.03 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.869, support = 4.59, residual support = 157.6:
      O T QE    LYS+  65 - HG3   LYS+  65   2.54 +/- 0.56  63.796% * 42.3520% (0.77  10.0 10.00   4.28 163.31) =  57.896%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.92 +/- 0.52  35.930% * 54.6859% (1.00  10.0 10.00   5.01 149.82) =  42.103%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.17 +/- 0.47   0.186% *  0.0187% (0.34   1.0  1.00   0.02   1.51) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.66 +/- 1.78   0.053% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.80 +/- 1.77   0.001% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  18.45 +/- 1.44   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.14 +/- 1.30   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.47 +/- 1.31   0.001% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.09 +/- 1.43   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.01 +/- 1.83   0.001% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  18.60 +/- 1.44   0.001% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  14.07 +/- 1.88   0.007% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.59 +/- 1.29   0.006% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  17.44 +/- 2.58   0.011% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  18.09 +/- 4.42   0.002% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.83 +/- 1.75   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.57 +/- 1.63   0.003% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.83 +/- 1.25   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.07 +/- 4.40   0.001% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.46 +/- 2.07   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.80 +/- 2.07   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.82 +/- 1.58   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.44 +/- 5.27   0.000% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  23.89 +/- 1.35   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.47 +/- 1.52   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.81 +/- 1.70   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  17.92 +/- 1.75   0.001% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.91 +/- 1.08   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.10 +/- 1.26   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.99 +/- 2.53   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.58 +/- 1.66   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.19 +/- 1.28   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 148.9:
    *   T HA    LYS+  33 - QD    LYS+  33   3.39 +/- 0.73  81.912% * 87.2295% (1.00 10.00   4.79 149.82) =  99.411%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.41 +/- 1.47   4.174% *  9.9824% (0.97 10.00   0.24   0.02) =   0.580%  kept
        T HA    GLN   32 - QD    LYS+  33   6.51 +/- 1.30   1.777% *  0.2425% (0.28 10.00   0.02  11.31) =   0.006%
          HB2   SER   37 - QD    LYS+  33   6.27 +/- 1.38  10.700% *  0.0194% (0.22  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HD3   LYS+ 111  13.13 +/- 3.14   1.083% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD    LYS+  33  11.19 +/- 1.34   0.157% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  12.08 +/- 1.35   0.096% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.85 +/- 0.82   0.070% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  19.45 +/- 3.56   0.014% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  19.76 +/- 3.28   0.005% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.47 +/- 2.22   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.33 +/- 2.30   0.002% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.43 +/- 2.24   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.95 +/- 3.03   0.004% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.25 +/- 2.47   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.77 +/- 2.03   0.001% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.60 +/- 1.52   0.001% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.61 +/- 3.45   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.20 +/- 2.28   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  24.57 +/- 3.06   0.001% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.46 +/- 1.86   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.77 +/- 2.48   0.000% *  0.0174% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 149.8:
    * O T QB    LYS+  33 - QD    LYS+  33   2.30 +/- 0.24  99.100% * 94.1852% (1.00  10.0 10.00   5.06 149.82) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.15 +/- 0.90   0.595% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  10.05 +/- 2.58   0.139% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.86 +/- 2.50   0.037% *  0.0478% (0.51   1.0  1.00   0.02   2.14) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  15.90 +/- 2.42   0.002% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.78 +/- 3.10   0.089% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  16.27 +/- 1.51   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.94 +/- 1.99   0.008% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.58 +/- 0.94   0.017% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.49 +/- 3.94   0.005% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  15.38 +/- 2.83   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.56 +/- 1.13   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.43 +/- 1.23   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  26.28 +/- 1.62   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  26.33 +/- 2.84   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.36 +/- 1.07   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.50 +/- 1.43   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  24.21 +/- 3.42   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.87 +/- 1.81   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.99 +/- 2.92   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.69 +/- 1.95   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.72 +/- 3.21   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  26.25 +/- 1.72   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.99 +/- 1.36   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.57 +/- 1.40   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.74 +/- 1.99   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.65 +/- 2.20   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.35 +/- 2.87   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.8:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.29 +/- 0.13  98.404% * 93.1714% (1.00  10.0 10.00   4.55 149.82) =  99.999%  kept
          QB    ALA   12 - QD    LYS+  33  10.38 +/- 2.98   1.026% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  12.12 +/- 3.35   0.401% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HD3   LYS+ 111   7.71 +/- 1.00   0.109% *  0.0749% (0.80   1.0  1.00   0.02  27.53) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.78 +/- 2.68   0.005% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.81 +/- 1.24   0.026% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  11.46 +/- 1.23   0.008% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.61 +/- 1.73   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.74 +/- 1.44   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.84 +/- 2.69   0.002% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.61 +/- 0.84   0.007% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.64 +/- 1.44   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.27 +/- 4.01   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.14 +/- 1.89   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.57 +/- 1.28   0.003% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.44 +/- 1.34   0.003% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.83 +/- 2.32   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.89 +/- 1.85   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.95 +/- 2.30   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.50 +/- 2.81   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  17.08 +/- 2.58   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.01 +/- 2.11   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.51 +/- 2.32   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.28 +/- 1.96   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.67 +/- 2.87   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.26 +/- 2.66   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.42 +/- 2.05   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.23 +/- 1.43   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.49 +/- 3.55   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.60 +/- 2.68   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 0.03 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 149.8:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.03  99.915% * 96.5704% (1.00  10.0 10.00   4.18 149.82) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.65 +/- 0.89   0.063% *  0.0329% (0.34   1.0  1.00   0.02   1.51) =   0.000%
          HB2   ASN   28 - QD    LYS+  33   9.44 +/- 1.33   0.017% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.82 +/- 1.69   0.000% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.91 +/- 2.28   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.25 +/- 1.63   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.16 +/- 1.61   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.62 +/- 3.59   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  19.85 +/- 3.91   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.52 +/- 2.46   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.37 +/- 4.15   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.58 +/- 1.61   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.66 +/- 3.07   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.72 +/- 2.44   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.37 +/- 2.79   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.43 +/- 2.91   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.988, support = 5.38, residual support = 147.5:
    *   T HA    LYS+  33 - QE    LYS+  33   3.97 +/- 0.83  65.988% * 76.3050% (1.00 10.00   5.42 149.82) =  98.372%  kept
        T HA    GLN   32 - QE    LYS+  33   6.65 +/- 1.17   3.317% * 21.2156% (0.28 10.00   3.28  11.31) =   1.375%  kept
        T HA    GLU-  29 - QE    LYS+  33   5.94 +/- 1.41  17.228% *  0.7364% (0.97 10.00   0.02   0.02) =   0.248%
          HB2   SER   37 - QE    LYS+  33   7.19 +/- 1.53   7.195% *  0.0170% (0.22  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QE    LYS+  65   7.70 +/- 1.25   2.798% *  0.0371% (0.49  1.00   0.02   0.16) =   0.002%
          HA    SER   48 - HB2   ASP-  76   8.92 +/- 2.78   2.541% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  33  11.89 +/- 1.27   0.163% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  12.20 +/- 1.41   0.145% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.59 +/- 0.72   0.248% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.46 +/- 1.86   0.068% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.95 +/- 0.57   0.068% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.45 +/- 1.17   0.017% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.01 +/- 1.54   0.004% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  21.84 +/- 1.54   0.003% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  19.21 +/- 3.16   0.012% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.36 +/- 1.08   0.056% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.01 +/- 1.26   0.004% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.24 +/- 2.30   0.016% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.87 +/- 1.40   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.12 +/- 1.19   0.005% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.41 +/- 0.88   0.036% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.10 +/- 1.89   0.001% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.31 +/- 1.82   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  14.21 +/- 1.71   0.051% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.72 +/- 1.26   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.86 +/- 1.10   0.010% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  24.97 +/- 1.60   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.33 +/- 2.52   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.52 +/- 1.01   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.17 +/- 1.69   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.31 +/- 1.68   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.29 +/- 1.60   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.32 +/- 1.31   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.21 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 149.8:
    *   T QB    LYS+  33 - QE    LYS+  33   2.71 +/- 0.69  96.862% * 97.9499% (1.00 10.00   5.63 149.82) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   5.94 +/- 1.06   2.523% *  0.0244% (0.25  1.00   0.02   0.17) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.33 +/- 0.60   0.298% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.03 +/- 1.22   0.088% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.02 +/- 1.55   0.004% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.41 +/- 1.16   0.039% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  12.82 +/- 1.61   0.036% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.67 +/- 2.09   0.010% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.04 +/- 1.18   0.003% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.99 +/- 1.98   0.032% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.81 +/- 1.88   0.004% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.76 +/- 1.28   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  14.73 +/- 3.05   0.015% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.90 +/- 1.47   0.014% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.49 +/- 1.20   0.004% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.41 +/- 1.88   0.002% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.54 +/- 1.34   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.89 +/- 1.11   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  20.02 +/- 1.35   0.001% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.53 +/- 1.34   0.017% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.74 +/- 1.19   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.72 +/- 1.74   0.005% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.03 +/- 1.45   0.004% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  21.65 +/- 1.11   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.58 +/- 1.04   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.71 +/- 1.25   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.46 +/- 2.02   0.012% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  26.05 +/- 1.53   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.14 +/- 2.20   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.08 +/- 1.44   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.38 +/- 1.55   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.40 +/- 1.61   0.006% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.90 +/- 1.01   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  19.96 +/- 1.57   0.002% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  24.70 +/- 3.24   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  22.51 +/- 1.55   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.95 +/- 1.64   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.70 +/- 1.87   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.55 +/- 1.64   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.68 +/- 1.27   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.46 +/- 0.91   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.25 +/- 1.79   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.766, support = 4.66, residual support = 156.2:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.92 +/- 0.52  35.072% * 63.8684% (1.00  10.0 10.00   5.01 149.82) =  52.327%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.54 +/- 0.56  62.711% * 32.5421% (0.51  10.0 10.00   4.28 163.31) =  47.672%  kept
          QB    ALA   12 - QE    LYS+  33  10.39 +/- 2.91   0.294% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.77 +/- 1.07   1.304% *  0.0015% (0.02   1.0  1.00   0.02   3.47) =   0.000%
          HB3   LEU   73 - QE    LYS+  33   9.79 +/- 1.14   0.029% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.92 +/- 1.24   0.362% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  11.92 +/- 1.18   0.009% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.80 +/- 1.77   0.001% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  18.45 +/- 1.44   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.26 +/- 1.33   0.029% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.60 +/- 0.61   0.120% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.13 +/- 0.95   0.007% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.09 +/- 1.43   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.77 +/- 0.72   0.005% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  19.14 +/- 1.30   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.47 +/- 1.31   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  11.41 +/- 1.51   0.013% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.32 +/- 1.44   0.007% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  13.56 +/- 1.13   0.003% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.79 +/- 1.64   0.003% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.21 +/- 2.37   0.002% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.01 +/- 1.83   0.001% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  18.60 +/- 1.44   0.001% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.83 +/- 1.75   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.98 +/- 1.38   0.004% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.75 +/- 1.87   0.003% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.83 +/- 1.25   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.30 +/- 1.74   0.007% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.65 +/- 2.39   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.38 +/- 0.83   0.001% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.91 +/- 0.84   0.002% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.73 +/- 1.84   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.72 +/- 2.41   0.002% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.93 +/- 3.52   0.001% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.91 +/- 1.08   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.36 +/- 1.59   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.66 +/- 1.24   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.99 +/- 1.10   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.82 +/- 1.52   0.001% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  22.94 +/- 2.08   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.35 +/- 1.61   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.19 +/- 2.23   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.54 +/- 3.24   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.72 +/- 1.87   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.55 +/- 1.83   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 149.8:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.03  99.850% * 97.4730% (1.00  10.0 10.00   4.18 149.82) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.13 +/- 1.17   0.038% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.56 +/- 1.27   0.092% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  10.89 +/- 1.54   0.008% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.82 +/- 1.69   0.000% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.58 +/- 2.16   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.00 +/- 1.66   0.005% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.91 +/- 2.28   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.25 +/- 1.63   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.23 +/- 1.59   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.10 +/- 1.15   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.62 +/- 3.59   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.52 +/- 2.46   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.57 +/- 2.25   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.42 +/- 3.11   0.003% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.72 +/- 3.79   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.03 +/- 2.17   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.07 +/- 2.13   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.4:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  96.070% * 99.3602% (0.80  10.0 10.00   1.93  25.44) =  99.999%  kept
          QG2   THR   39 - HA    ALA   34   4.32 +/- 0.67   3.861% *  0.0308% (0.25   1.0  1.00   0.02   8.62) =   0.001%
          HG3   LYS+  38 - HA    ALA   34   7.34 +/- 0.33   0.060% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.65 +/- 4.87   0.001% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.01 +/- 0.84   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  14.83 +/- 5.17   0.005% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.12 +/- 1.25   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.72 +/- 0.82   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.54 +/- 1.33   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.76 +/- 6.59   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.56 +/- 1.32   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.81 +/- 2.96   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.03 +/- 1.83   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.59 +/- 1.49   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.4:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.607% * 98.8230% (0.80  10.0 10.00   1.93  25.44) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   7.43 +/- 2.30   0.182% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.88 +/- 0.30   0.091% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.67 +/- 0.01   0.106% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.65 +/- 4.87   0.001% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.61 +/- 0.35   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.69 +/- 1.20   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.18 +/- 1.00   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.79 +/- 1.45   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  18.65 +/- 1.84   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.75 +/- 0.07  99.547% * 98.4270% (1.00  10.0 10.00   4.04  55.52) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.78 +/- 0.76   0.054% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.67 +/- 0.90   0.133% *  0.0336% (0.34   1.0  1.00   0.02   1.51) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.88 +/- 0.36   0.010% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  10.13 +/- 2.02   0.143% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.33 +/- 1.31   0.052% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.70 +/- 0.69   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.22 +/- 1.45   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  11.37 +/- 1.12   0.024% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.32 +/- 1.08   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.33 +/- 1.29   0.017% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  22.04 +/- 4.82   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.61 +/- 0.75   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  16.69 +/- 1.90   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.51 +/- 1.50   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  21.20 +/- 4.61   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.46 +/- 1.13   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.04 +/- 1.43   0.005% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.60 +/- 1.88   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  26.08 +/- 3.45   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  20.51 +/- 1.77   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 86.7:
    * O T QB    GLU-  36 - HA    GLU-  36   2.41 +/- 0.19  99.965% * 98.9106% (1.00  10.0 10.00   5.58  86.69) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.24 +/- 0.65   0.007% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  11.22 +/- 2.34   0.025% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.83 +/- 0.79   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.90 +/- 1.24   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  33.90 +/- 1.82   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.68 +/- 0.82  99.998% * 99.8378% (1.00  10.0 10.00   3.62  86.69) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  20.09 +/- 1.00   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  27.54 +/- 1.00   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  25.15 +/- 4.63   0.001% *  0.0175% (0.18   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 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.44 +/- 0.12  99.982% * 99.2256% (1.00  10.0 10.00   3.62  86.69) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  17.53 +/- 3.77   0.014% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.51 +/- 0.72   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  26.17 +/- 1.19   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.08 +/- 1.41   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.82 +/- 0.99   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.43 +/- 2.11   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.68 +/- 0.82  99.997% * 99.7630% (1.00  10.0 10.00   3.62  86.69) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  27.63 +/- 7.33   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  28.37 +/- 2.44   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  24.50 +/- 2.40   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  33.48 +/- 2.63   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.7:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.50 +/- 0.06  99.969% * 98.9106% (1.00  10.0 10.00   4.30  86.69) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.34 +/- 0.88   0.013% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.78 +/- 1.37   0.007% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  12.76 +/- 2.45   0.011% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.20 +/- 1.81   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  33.85 +/- 1.71   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 99.2256% (1.00  10.0 10.00   3.00  86.69) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.26 +/- 4.09   0.001% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.70 +/- 0.99   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.46 +/- 1.70   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.53 +/- 1.70   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.91 +/- 1.22   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.40 +/- 1.90   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.44 +/- 0.12  99.979% * 99.6097% (1.00  10.0 10.00   3.62  86.69) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  17.53 +/- 3.77   0.014% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  28.15 +/- 7.17   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  28.29 +/- 2.20   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  24.83 +/- 2.07   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.87 +/- 4.99   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  33.61 +/- 2.25   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.83 +/- 1.91   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  30.03 +/- 3.92   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  30.18 +/- 2.55   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.7:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.25 +/- 0.09  99.971% * 99.4418% (1.00  10.0  1.00   4.30  86.69) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.79 +/- 1.03   0.010% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.24 +/- 0.97   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  13.69 +/- 2.57   0.004% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.15 +/- 3.44   0.005% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  16.86 +/- 4.15   0.004% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  17.93 +/- 4.57   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.97 +/- 4.06   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.97 +/- 1.10   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.55 +/- 3.41   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  33.96 +/- 1.58   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.26 +/- 3.56   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.69) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.26 +/- 4.09   0.001% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.38 +/- 1.15   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.72 +/- 1.83   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  25.31 +/- 4.28   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.58 +/- 2.93   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.36 +/- 1.36   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  31.01 +/- 4.80   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 = 26.9:
    * O T HB2   SER   37 - HA    SER   37   2.80 +/- 0.14  99.094% * 98.0025% (1.00  10.0 10.00   2.57  26.90) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.41 +/- 0.32   0.764% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  13.34 +/- 2.16   0.019% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.27 +/- 1.16   0.067% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  11.38 +/- 0.89   0.026% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.73 +/- 2.37   0.008% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.59 +/- 0.81   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.00 +/- 1.05   0.003% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  14.85 +/- 1.12   0.006% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.06 +/- 2.77   0.009% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.83 +/- 1.20   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.04 +/- 0.66   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  28.03 +/- 2.72   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.13 +/- 0.55   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  27.81 +/- 2.43   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.588, support = 2.25, residual support = 17.0:
      O T QB    SER   13 - HA    SER   13   2.44 +/- 0.14  70.789% * 28.4793% (0.35  10.0 10.00   1.93   7.21) =  50.460%  kept
    * O T HB3   SER   37 - HA    SER   37   2.86 +/- 0.21  28.761% * 68.8149% (0.84  10.0 10.00   2.57  26.90) =  49.539%  kept
          HB    THR   39 - HA    SER   37   5.98 +/- 0.51   0.391% *  0.0566% (0.69   1.0  1.00   0.02   3.17) =   0.001%
        T QB    SER   13 - HA    SER   37  13.33 +/- 2.90   0.007% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.78 +/- 1.81   0.038% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.23 +/- 2.33   0.007% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.44 +/- 1.24   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.97 +/- 1.90   0.003% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.74 +/- 1.80   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.51 +/- 0.64   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.08 +/- 1.17   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.36 +/- 0.63   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.90 +/- 1.62   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.95 +/- 1.50   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.09 +/- 2.64   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.44 +/- 3.98   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.59 +/- 3.81   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.65 +/- 4.24   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 = 26.9:
    * O T HA    SER   37 - HB2   SER   37   2.80 +/- 0.14  99.695% * 98.1694% (1.00  10.0 10.00   2.57  26.90) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  13.34 +/- 2.16   0.019% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   7.94 +/- 0.33   0.216% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLU-  15 - HB2   SER   37  10.95 +/- 1.59   0.053% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.87 +/- 0.52   0.012% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.58 +/- 1.61   0.005% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.59 +/- 0.81   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.38 +/- 1.36   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.9:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  96.672% * 98.8953% (0.84  10.0 10.00   2.00  26.90) =  99.997%  kept
          HB    THR   39 - HB2   SER   37   3.49 +/- 0.72   3.326% *  0.0813% (0.69   1.0  1.00   0.02   3.17) =   0.003%
        T QB    SER   13 - HB2   SER   37  12.16 +/- 2.63   0.002% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.54 +/- 1.64   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.19 +/- 2.60   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.09 +/- 3.75   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.591, support = 2.24, residual support = 16.7:
      O T HA    SER   13 - QB    SER   13   2.44 +/- 0.14  70.899% * 29.4827% (0.36  10.0 10.00   1.93   7.21) =  51.602%  kept
    * O T HA    SER   37 - HB3   SER   37   2.86 +/- 0.21  28.809% * 68.0513% (0.84  10.0 10.00   2.57  26.90) =  48.398%  kept
          HA    GLU-  15 - QB    SER   13   6.91 +/- 0.90   0.206% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.33 +/- 2.90   0.007% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.23 +/- 2.33   0.007% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.64 +/- 0.49   0.040% *  0.0255% (0.31   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLN   17 - QB    SER   13  10.58 +/- 1.05   0.014% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.21 +/- 1.52   0.012% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  13.17 +/- 0.56   0.003% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.93 +/- 1.43   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.74 +/- 1.80   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.51 +/- 0.64   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.80 +/- 2.00   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.09 +/- 1.71   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.43 +/- 1.00   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.82 +/- 1.36   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.9:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.743% * 98.1382% (0.84  10.0 10.00   2.00  26.90) = 100.000%  kept
          HA    LYS+  33 - HB3   SER   37   4.95 +/- 0.51   0.242% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   9.83 +/- 0.96   0.004% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.16 +/- 2.63   0.002% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.42 +/- 1.21   0.006% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  13.56 +/- 1.49   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.83 +/- 2.22   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  13.80 +/- 2.79   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  26.35 +/- 2.77   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.11 +/- 1.78   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 219.0:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.85 +/- 0.17  99.010% * 99.6880% (1.00  10.0 10.00   6.58 219.04) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.91 +/- 1.86   0.939% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  12.83 +/- 0.88   0.014% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  15.95 +/- 0.83   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.39 +/- 0.58   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.94 +/- 1.47   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.04 +/- 0.38   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.10 +/- 1.44   0.015% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  18.38 +/- 2.82   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  17.10 +/- 2.46   0.003% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.44 +/- 1.63   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.87 +/- 2.32   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.83 +/- 2.59   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  30.02 +/- 1.75   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 219.0:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.64 +/- 0.18  97.134% * 98.2125% (1.00  10.0 10.00   5.88 219.04) =  99.998%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.61 +/- 1.81   2.607% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    LYS+  38   7.88 +/- 0.37   0.150% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.57 +/- 0.97   0.017% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  17.41 +/- 1.22   0.001% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.58 +/- 1.01   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.73 +/- 0.84   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  11.11 +/- 2.29   0.033% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.39 +/- 2.61   0.013% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.97 +/- 1.55   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  28.02 +/- 1.43   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.73 +/- 0.74   0.024% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.07 +/- 1.03   0.005% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.91 +/- 1.72   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.20 +/- 0.79   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  27.21 +/- 1.18   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  26.10 +/- 1.87   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.72 +/- 1.23   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.71 +/- 2.20   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  30.89 +/- 1.54   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  18.40 +/- 1.97   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.97 +/- 1.68   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.84 +/- 1.00   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  25.98 +/- 2.33   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  29.35 +/- 1.65   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.18 +/- 2.27   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 219.0:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.62 +/- 0.58  89.887% * 98.4430% (1.00  10.0 10.00   6.90 219.04) =  99.989%  kept
        T HG2   LYS+  99 - HA    LYS+  38   7.03 +/- 1.30   0.473% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  99 - HA    GLU- 100   4.57 +/- 0.40   7.598% *  0.0583% (0.06   1.0 10.00   0.02  39.97) =   0.005%
        T HG2   LYS+  38 - HA    GLU- 100   6.13 +/- 2.01   1.214% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.11 +/- 0.26   0.044% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.94 +/- 1.49   0.076% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.40 +/- 1.50   0.669% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.20 +/- 2.60   0.026% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  19.12 +/- 5.68   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.53 +/- 1.15   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.15 +/- 0.76   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.31 +/- 0.83   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  24.51 +/- 2.92   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  23.23 +/- 3.07   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.61 +/- 2.97   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  18.53 +/- 5.42   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.14 +/- 1.72   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.61 +/- 1.41   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.72 +/- 1.51   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  22.97 +/- 3.08   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  23.32 +/- 3.37   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.06 +/- 2.88   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.14 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.55, residual support = 216.2:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.18 +/- 0.74  66.212% * 79.8477% (1.00  10.0 10.00   6.60 219.04) =  98.613%  kept
          QG2   THR   39 - HA    LYS+  38   5.80 +/- 0.28   2.446% * 17.1215% (0.90   1.0  1.00   4.78  27.89) =   0.781%  kept
          QB    ALA   34 - HA    LYS+  38   4.39 +/- 0.15  13.562% *  2.3596% (0.80   1.0  1.00   0.74   0.02) =   0.597%  kept
        T HG3   LYS+  99 - HA    LYS+  38   7.74 +/- 1.52   0.598% *  0.2997% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HA    GLU- 100   4.94 +/- 0.43   8.393% *  0.0181% (0.02   1.0 10.00   0.02  39.97) =   0.003%
        T HG3   LYS+  38 - HA    GLU- 100   6.25 +/- 2.29   2.289% *  0.0482% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   6.00 +/- 2.11   5.557% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.34 +/- 1.00   0.206% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.81 +/- 1.70   0.629% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.37 +/- 1.16   0.008% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  11.43 +/- 2.52   0.089% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.48 +/- 0.81   0.002% *  0.0358% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  22.18 +/- 1.22   0.001% *  0.0755% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.59 +/- 1.57   0.001% *  0.0716% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.76 +/- 1.02   0.001% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.61 +/- 2.23   0.004% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.21 +/- 1.60   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.73 +/- 2.20   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.32 +/- 1.88   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  21.16 +/- 1.58   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 219.0:
    *   T QD    LYS+  38 - HA    LYS+  38   3.50 +/- 0.43  78.964% * 97.0123% (1.00 10.00   6.01 219.04) =  99.985%  kept
        T QD    LYS+  38 - HA    GLU- 100   4.90 +/- 1.55  19.906% *  0.0586% (0.06 10.00   0.02   0.02) =   0.015%
          QD    LYS+ 102 - HA    LYS+  38  11.59 +/- 1.65   0.108% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.86 +/- 0.92   0.989% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.56 +/- 1.16   0.002% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  22.82 +/- 3.50   0.002% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.67 +/- 0.77   0.002% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  20.37 +/- 2.99   0.004% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  23.36 +/- 4.99   0.002% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  22.54 +/- 3.84   0.002% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.55 +/- 1.88   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.56 +/- 2.29   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  21.03 +/- 2.24   0.002% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  18.23 +/- 3.33   0.008% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.76 +/- 1.29   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.09 +/- 4.96   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.39 +/- 0.88   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.09 +/- 2.08   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.40 +/- 1.05   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.55 +/- 0.52   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 219.0:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.85 +/- 0.17  99.059% * 99.6785% (1.00  10.0 10.00   6.58 219.04) =  99.998%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.91 +/- 1.86   0.940% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB2   LYS+  38  20.87 +/- 0.40   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.43 +/- 4.16   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  30.11 +/- 1.37   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.0:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.44 219.04) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.96 +/- 0.48   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.74 +/- 0.91   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.61 +/- 1.04   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.92 +/- 0.72   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  17.40 +/- 1.45   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.66 +/- 1.51   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  33.59 +/- 1.47   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  29.13 +/- 1.17   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  28.41 +/- 1.81   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.23 +/- 1.21   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  29.44 +/- 1.52   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.95 +/- 1.74   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.0:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.71 +/- 0.18  99.802% * 98.5858% (1.00  10.0 10.00   6.08 219.04) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.20 +/- 1.26   0.169% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.62 +/- 0.29   0.011% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.39 +/- 1.55   0.012% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  19.12 +/- 6.06   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  21.03 +/- 1.22   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.35 +/- 0.74   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.45 +/- 0.79   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  26.83 +/- 2.85   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  25.80 +/- 3.02   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.63 +/- 3.03   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 219.0:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.54 +/- 0.37  98.734% * 99.1122% (1.00  10.0 10.00   5.76 219.04) =  99.999%  kept
          QG2   THR   39 - HB2   LYS+  38   6.33 +/- 0.39   0.677% *  0.0889% (0.90   1.0  1.00   0.02  27.89) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.81 +/- 1.52   0.101% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB2   LYS+  38   6.50 +/- 0.18   0.458% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  38  10.84 +/- 0.98   0.026% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.67 +/- 1.08   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.27 +/- 0.79   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.85 +/- 1.12   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.76 +/- 1.49   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.86 +/- 1.03   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 219.0:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.64 +/- 0.18  97.385% * 99.5407% (1.00  10.0 10.00   5.88 219.04) =  99.994%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.61 +/- 1.81   2.614% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   24 - HB3   LYS+  38  20.84 +/- 0.47   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  29.31 +/- 1.39   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.07 +/- 4.20   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.0:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.2933% (1.00  10.0 10.00   5.44 219.04) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  13.02 +/- 1.08   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.39 +/- 0.83   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.79 +/- 0.65   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.71 +/- 1.39   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  33.40 +/- 1.53   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.53 +/- 0.41   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.0:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.97 +/- 0.07  98.728% * 98.5858% (1.00  10.0 10.00   5.63 219.04) =  99.988%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.56 +/- 1.25   1.199% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB2   LEU   31 - HB3   LYS+  38  12.67 +/- 0.33   0.017% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.22 +/- 1.59   0.039% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  18.22 +/- 6.03   0.013% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  20.17 +/- 1.21   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.59 +/- 0.70   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.95 +/- 0.78   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.18 +/- 2.86   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.57 +/- 3.02   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.31 +/- 3.11   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.0:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.74 +/- 0.15  97.934% * 98.2829% (1.00  10.0 10.00   5.39 219.04) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.13 +/- 1.51   0.540% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   6.15 +/- 0.35   0.802% *  0.0881% (0.90   1.0  1.00   0.02  27.89) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.35 +/- 0.19   0.686% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  10.75 +/- 1.00   0.035% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  23.05 +/- 1.12   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.83 +/- 1.16   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.48 +/- 0.78   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.06 +/- 1.53   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.48 +/- 1.08   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.0:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.15 +/- 0.15  99.994% * 98.0597% (1.00  10.0 10.00   4.63 219.04) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.83 +/- 1.42   0.006% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.99 +/- 1.15   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.32 +/- 0.82   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  20.21 +/- 3.11   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  22.81 +/- 5.29   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.14 +/- 3.45   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  31.19 +/- 2.47   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.13 +/- 1.15   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.83 +/- 0.86   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 = 219.0:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.62 +/- 0.58  90.633% * 99.3217% (1.00  10.0 10.00   6.90 219.04) =  99.990%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.57 +/- 0.40   7.658% *  0.0603% (0.06   1.0 10.00   0.02  39.97) =   0.005%
        T HA    GLU- 100 - HG2   LYS+  38   6.13 +/- 2.01   1.223% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   7.03 +/- 1.30   0.484% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  20.23 +/- 0.62   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.38 +/- 1.36   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  25.53 +/- 4.49   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  24.39 +/- 4.17   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.19 +/- 1.45   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.42 +/- 1.80   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.0:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.71 +/- 0.18  99.761% * 99.4277% (1.00  10.0 10.00   6.08 219.04) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.20 +/- 1.26   0.169% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  10.22 +/- 1.39   0.052% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  14.23 +/- 1.50   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.38 +/- 1.06   0.002% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.76 +/- 0.71   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.08 +/- 1.99   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.62 +/- 0.62   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.60 +/- 1.85   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.48 +/- 1.63   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.13 +/- 1.35   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.59 +/- 1.36   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  33.38 +/- 1.78   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  29.98 +/- 1.28   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.0:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.97 +/- 0.07  98.489% * 98.9095% (1.00  10.0 10.00   5.63 219.04) =  99.997%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.56 +/- 1.25   1.197% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   9.03 +/- 0.37   0.130% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.42 +/- 1.05   0.013% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.41 +/- 0.74   0.062% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.60 +/- 1.16   0.021% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.23 +/- 1.09   0.041% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.54 +/- 1.64   0.009% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.57 +/- 1.16   0.020% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.16 +/- 0.96   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.10 +/- 0.80   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.46 +/- 1.36   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  18.26 +/- 2.21   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  15.41 +/- 1.65   0.006% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.05 +/- 1.51   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.63 +/- 1.50   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  27.73 +/- 1.93   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.69 +/- 1.41   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.66 +/- 1.60   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.80 +/- 0.85   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.97 +/- 1.96   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  26.72 +/- 1.71   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  32.81 +/- 1.68   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  29.26 +/- 1.22   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  33.83 +/- 1.89   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.51 +/- 1.91   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.44, residual support = 214.8:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.945% * 89.3422% (1.00  10.0 10.00   6.43 219.04) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.945% *  9.1383% (0.10  10.0 10.00   6.61 173.09) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   8.11 +/- 1.67   0.012% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.81 +/- 1.06   0.029% *  0.0801% (0.90   1.0  1.00   0.02  27.89) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.21 +/- 0.31   0.027% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.74 +/- 1.48   0.005% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.87 +/- 1.30   0.023% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.38 +/- 0.95   0.011% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.08 +/- 1.35   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.97 +/- 1.84   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.93 +/- 1.64   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.68 +/- 1.31   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.38 +/- 1.17   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.03 +/- 1.84   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.89 +/- 0.96   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.75 +/- 1.32   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.41 +/- 1.26   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.25 +/- 1.60   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.92 +/- 1.75   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.74 +/- 1.32   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 219.0:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.40 +/- 0.16  99.357% * 96.4250% (1.00  10.0 10.00   5.75 219.04) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.12 +/- 1.22   0.548% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  99   8.48 +/- 1.12   0.075% *  0.2104% (0.22   1.0 10.00   0.02   1.93) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.18 +/- 1.88   0.011% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.78 +/- 1.87   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.70 +/- 3.50   0.006% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.34 +/- 1.58   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.63 +/- 0.81   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.05 +/- 1.64   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  18.22 +/- 5.23   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  21.64 +/- 2.63   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  24.72 +/- 3.71   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  24.44 +/- 4.55   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.61 +/- 2.31   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.31 +/- 2.45   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  23.48 +/- 3.49   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.70 +/- 1.38   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.89 +/- 0.94   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.36 +/- 0.99   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.34 +/- 0.64   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 219.0:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.18 +/- 0.74  83.288% * 99.5416% (1.00  10.0 10.00   6.60 219.04) =  99.988%  kept
        T HA    GLU- 100 - HG3   LYS+  38   6.25 +/- 2.29   2.841% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU- 100 - HG3   LYS+  99   4.94 +/- 0.43  12.959% *  0.0231% (0.02   1.0 10.00   0.02  39.97) =   0.004%
        T HA    LYS+  38 - HG3   LYS+  99   7.74 +/- 1.52   0.908% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.12 +/- 0.83   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.97 +/- 1.60   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  26.34 +/- 4.72   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.73 +/- 1.58   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  24.82 +/- 4.28   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.59 +/- 1.69   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.16 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 219.0:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.54 +/- 0.37  99.839% * 99.6340% (1.00  10.0 10.00   5.76 219.04) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.81 +/- 1.52   0.103% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  10.57 +/- 1.62   0.046% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.66 +/- 1.17   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.26 +/- 1.06   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.63 +/- 0.58   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.63 +/- 1.70   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.52 +/- 0.69   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  21.23 +/- 1.81   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.12 +/- 1.63   0.001% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.89 +/- 1.54   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  34.10 +/- 2.14   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  24.27 +/- 1.54   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  30.15 +/- 1.40   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.0:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.74 +/- 0.15  99.256% * 98.2474% (1.00  10.0 10.00   5.39 219.04) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.13 +/- 1.51   0.547% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.74 +/- 0.39   0.052% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.31 +/- 0.79   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.11 +/- 1.03   0.069% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.46 +/- 1.23   0.016% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.90 +/- 1.05   0.029% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.50 +/- 1.45   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.57 +/- 1.45   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.31 +/- 1.43   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.27 +/- 1.74   0.005% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.30 +/- 1.42   0.009% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.67 +/- 1.87   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  18.53 +/- 1.76   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.69 +/- 1.52   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  15.69 +/- 1.53   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  28.50 +/- 2.19   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.30 +/- 1.35   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  30.16 +/- 1.65   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.85 +/- 1.22   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  33.51 +/- 2.04   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  25.14 +/- 1.81   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  34.46 +/- 1.69   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  27.13 +/- 1.87   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  29.41 +/- 1.30   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.72 +/- 2.00   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.44, residual support = 214.8:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.987% * 89.3736% (1.00  10.0 10.00   6.43 219.04) =  90.721%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.987% *  9.1415% (0.10  10.0 10.00   6.61 173.09) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   8.11 +/- 1.67   0.012% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.74 +/- 1.48   0.005% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.66 +/- 1.03   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.54 +/- 1.08   0.007% *  0.0014% (0.02   1.0  1.00   0.02  18.51) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.15 +/- 1.78   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.72 +/- 5.75   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.10 +/- 5.44   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.23 +/- 1.48   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.55 +/- 3.16   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.73 +/- 1.45   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.61 +/- 1.23   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.77 +/- 1.05   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.59 +/- 3.46   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.69 +/- 1.34   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.98 +/- 3.48   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.55 +/- 0.98   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.75 +/- 3.41   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.84 +/- 0.95   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.58 +/- 2.81   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.68 +/- 3.06   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 = 5.41, residual support = 219.0:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.37 +/- 0.15  99.316% * 97.6899% (1.00  10.0 10.00   5.41 219.04) =  99.999%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.53 +/- 1.41   0.544% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  99   8.11 +/- 1.45   0.123% *  0.0816% (0.08   1.0 10.00   0.02   1.93) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.18 +/- 2.17   0.009% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.24 +/- 1.42   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  23.37 +/- 1.01   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  14.35 +/- 3.37   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.68 +/- 1.54   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  21.81 +/- 3.22   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.49 +/- 1.56   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  17.98 +/- 5.05   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  24.60 +/- 5.14   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  25.54 +/- 3.96   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.68 +/- 2.74   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.46 +/- 2.55   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.34 +/- 1.65   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  23.94 +/- 3.61   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.03 +/- 0.90   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.96 +/- 1.29   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.40 +/- 0.79   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 218.9:
    *   T HA    LYS+  38 - QD    LYS+  38   3.50 +/- 0.43  79.509% * 98.6212% (1.00 10.00   6.01 219.04) =  99.944%  kept
        T HA    GLU- 100 - QD    LYS+  38   4.90 +/- 1.55  20.018% *  0.2196% (0.22 10.00   0.02   0.02) =   0.056%
        T HD2   PRO   58 - QD    LYS+  65  10.81 +/- 1.12   0.153% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  11.61 +/- 1.72   0.126% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.08 +/- 1.09   0.117% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.44 +/- 2.06   0.016% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.67 +/- 0.77   0.002% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.56 +/- 1.16   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  23.86 +/- 4.08   0.001% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.51 +/- 0.82   0.003% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  21.03 +/- 2.24   0.002% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.55 +/- 1.88   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.26 +/- 1.11   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  13.97 +/- 2.60   0.040% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  19.59 +/- 1.55   0.004% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.45 +/- 2.11   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.56 +/- 2.29   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.09 +/- 2.08   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.49 +/- 2.65   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  25.32 +/- 3.31   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 219.0:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.90 +/- 0.34  88.301% * 99.6020% (1.00  10.0   5.07 219.04) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   5.76 +/- 1.97  11.487% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74  10.68 +/- 1.50   0.073% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.78 +/- 1.11   0.018% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.48 +/- 1.12   0.061% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.42 +/- 0.88   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.03 +/- 0.72   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.10 +/- 1.50   0.003% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.48 +/- 1.36   0.004% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.45 +/- 1.22   0.014% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.50 +/- 3.77   0.013% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.07 +/- 0.96   0.006% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.87 +/- 1.50   0.003% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.33 +/- 1.06   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.09 +/- 0.62   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.29 +/- 1.23   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.74 +/- 0.86   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  21.37 +/- 2.10   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  20.53 +/- 1.63   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  30.46 +/- 1.70   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  21.82 +/- 1.57   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.22 +/- 1.31   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.70 +/- 2.43   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.12 +/- 2.25   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.51 +/- 2.41   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.09 +/- 2.31   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.90 +/- 2.50   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.85 +/- 2.16   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.0:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.15 +/- 0.15  99.805% * 98.4611% (1.00  10.0 10.00   4.63 219.04) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.81 +/- 0.38   0.012% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.70 +/- 1.13   0.040% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.00 +/- 2.60   0.037% *  0.0072% (0.07   1.0  1.00   0.02   2.14) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.04 +/- 1.54   0.005% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.57 +/- 1.22   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   8.79 +/- 1.56   0.035% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  11.79 +/- 1.74   0.006% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.00 +/- 2.89   0.016% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.10 +/- 0.99   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.93 +/- 0.77   0.004% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.94 +/- 1.48   0.004% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.61 +/- 1.50   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.94 +/- 1.02   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.63 +/- 2.29   0.007% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.70 +/- 0.87   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.60 +/- 1.39   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  12.96 +/- 1.02   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.73 +/- 1.23   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.99 +/- 1.15   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.32 +/- 0.82   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.11 +/- 1.08   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  16.29 +/- 1.67   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  18.75 +/- 4.03   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  16.65 +/- 1.55   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.48 +/- 1.13   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.74 +/- 1.49   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.77 +/- 2.64   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.42 +/- 1.52   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.73 +/- 1.78   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.89 +/- 1.51   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.07 +/- 1.26   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.25 +/- 2.51   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.25 +/- 2.32   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.55 +/- 1.51   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.25 +/- 1.12   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.77 +/- 1.47   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.85 +/- 1.84   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.73 +/- 1.22   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.83 +/- 1.40   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.41 +/- 1.85   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  31.19 +/- 2.47   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  22.17 +/- 1.09   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  29.89 +/- 1.63   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.24 +/- 2.35   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.04 +/- 1.44   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.36 +/- 0.97   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  23.76 +/- 3.22   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.73 +/- 1.62   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.42 +/- 2.11   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.61 +/- 2.90   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.46 +/- 1.82   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.983, support = 5.76, residual support = 220.8:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.16  72.981% * 91.2181% (1.00  10.0 10.00   5.75 219.04) =  98.148%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.93 +/- 0.12  22.784% *  5.4974% (0.06  10.0 10.00   6.21 315.22) =   1.847%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.12 +/- 1.22   0.406% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HD2   LYS+  74   4.85 +/- 1.14   3.561% *  0.0068% (0.07   1.0  1.00   0.02   3.74) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.27 +/- 0.97   0.128% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.15 +/- 0.69   0.056% *  0.0075% (0.08   1.0  1.00   0.02   1.21) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.03 +/- 0.75   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.47 +/- 1.39   0.032% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.33 +/- 1.64   0.011% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  18.72 +/- 2.80   0.001% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.89 +/- 1.98   0.008% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.81 +/- 4.84   0.003% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 1.58   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.05 +/- 1.64   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.59 +/- 2.23   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.64 +/- 2.81   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.14 +/- 0.83   0.005% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.78 +/- 1.87   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.63 +/- 0.81   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.94 +/- 1.82   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.25 +/- 1.42   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.74 +/- 0.68   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.13 +/- 1.03   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.38 +/- 2.69   0.003% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.42 +/- 0.92   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.32 +/- 0.75   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.55 +/- 0.95   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.69 +/- 2.83   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.87 +/- 2.18   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.68 +/- 2.93   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.97 +/- 2.75   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.09 +/- 2.62   0.002% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.61 +/- 2.31   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.98 +/- 2.19   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.70 +/- 1.48   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.38 +/- 2.03   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.16 +/- 1.34   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.00 +/- 2.33   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.43 +/- 1.52   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.31 +/- 2.45   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 1.39   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.86 +/- 3.29   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.24 +/- 2.20   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.69 +/- 1.95   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 = 0.969, support = 5.41, residual support = 218.0:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  67.747% * 91.1914% (1.00  10.0 10.00   5.41 219.04) =  96.663%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.74 +/- 0.22  31.240% *  6.8213% (0.07  10.0 10.00   5.54 187.88) =   3.334%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.53 +/- 1.41   0.364% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QD    LYS+  38   6.70 +/- 0.55   0.157% *  0.0818% (0.90   1.0  1.00   0.02  27.89) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.63 +/- 0.49   0.176% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.87 +/- 1.99   0.055% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   8.66 +/- 1.88   0.144% *  0.0065% (0.07   1.0  1.00   0.02   2.14) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.89 +/- 2.00   0.008% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.87 +/- 1.39   0.034% *  0.0113% (0.12   1.0  1.00   0.02   8.28) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.05 +/- 1.12   0.009% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.41 +/- 1.48   0.014% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.58 +/- 1.47   0.007% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.35 +/- 1.07   0.007% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.55 +/- 0.99   0.011% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.21 +/- 1.03   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.25 +/- 1.12   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.16 +/- 0.60   0.002% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.60 +/- 0.89   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.47 +/- 1.39   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.34 +/- 2.40   0.005% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.72 +/- 1.26   0.004% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.24 +/- 1.42   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.97 +/- 1.12   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.54   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.37 +/- 1.01   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.49 +/- 1.56   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.00 +/- 3.18   0.001% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.27 +/- 1.30   0.003% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.38 +/- 1.06   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.16 +/- 1.00   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.95 +/- 1.50   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.37 +/- 1.47   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  16.82 +/- 1.55   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.46 +/- 2.55   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.68 +/- 2.74   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.94 +/- 1.95   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.14 +/- 1.69   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.92 +/- 2.37   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.70 +/- 2.37   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.19 +/- 2.22   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HB    THR   39 - HA    THR   39   3.02 +/- 0.10  97.147% * 98.6574% (1.00  10.0 10.00   3.00  38.09) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.53 +/- 0.38   2.745% *  0.0952% (0.97   1.0  1.00   0.02   3.17) =   0.003%
        T HB    THR   39 - HA    ILE  103  13.07 +/- 0.69   0.016% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.22 +/- 2.18   0.014% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.20 +/- 0.72   0.042% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  13.12 +/- 2.39   0.022% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.28 +/- 0.87   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.95 +/- 1.68   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.48 +/- 2.97   0.001% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  19.08 +/- 2.94   0.002% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.38 +/- 2.02   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.69 +/- 1.09   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.13 +/- 3.88   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  22.81 +/- 4.29   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  26.48 +/- 2.66   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.30 +/- 2.22   0.001% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T QG2   THR   39 - HA    THR   39   2.25 +/- 0.25  97.769% * 97.0314% (0.87  10.0 10.00   3.00  38.09) =  99.998%  kept
          QB    ALA   34 - HA    THR   39   4.93 +/- 0.43   1.129% *  0.0934% (0.84   1.0  1.00   0.02   8.62) =   0.001%
          HG3   LYS+  38 - HA    THR   39   6.38 +/- 0.65   0.266% *  0.1116% (1.00   1.0  1.00   0.02  27.89) =   0.000%
          HG3   LYS+  99 - HA    THR   39   6.97 +/- 1.51   0.410% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   6.67 +/- 1.03   0.313% *  0.0311% (0.28   1.0  1.00   0.02   0.23) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.16 +/- 0.71   0.010% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.97 +/- 0.86   0.071% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.68 +/- 0.71   0.019% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  16.80 +/- 2.08   0.002% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.69 +/- 1.32   0.005% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.36 +/- 0.81   0.000% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.72 +/- 1.28   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.39 +/- 1.40   0.002% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.30 +/- 1.49   0.000% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  16.02 +/- 1.64   0.001% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.77 +/- 1.04   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.68 +/- 0.83   0.002% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.51 +/- 1.27   0.000% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.53 +/- 1.74   0.000% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  18.00 +/- 1.05   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - HB    THR   39   3.02 +/- 0.10  99.972% * 98.7925% (1.00  10.0 10.00   3.00  38.09) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.07 +/- 0.69   0.016% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.15 +/- 0.50   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.34 +/- 2.78   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.51 +/- 1.33   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.28 +/- 0.98   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.59 +/- 0.80   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  27.27 +/- 3.13   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.40 +/- 1.03   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.864, support = 2.94, residual support = 34.8:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  84.435% * 50.3520% (0.87  10.0 10.00   2.95  38.09) =  88.936%  kept
        T QB    ALA   34 - HB    THR   39   3.41 +/- 0.67  10.906% * 48.4853% (0.84   1.0 10.00   2.83   8.62) =  11.062%  kept
          HG    LEU   71 - HB    THR   39   4.34 +/- 0.90   4.586% *  0.0161% (0.28   1.0  1.00   0.02   0.23) =   0.002%
        T HG3   LYS+  99 - HB    THR   39   9.20 +/- 1.53   0.020% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.78 +/- 0.51   0.042% *  0.0579% (1.00   1.0  1.00   0.02  27.89) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.27 +/- 1.21   0.009% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.06 +/- 0.87   0.001% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  21.64 +/- 1.16   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  19.08 +/- 1.17   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.51 +/- 1.32   0.000% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - QG2   THR   39   2.25 +/- 0.25  97.079% * 96.3159% (0.87  10.0 10.00   3.00  38.09) =  99.999%  kept
          HB    THR   77 - QB    ALA   91   5.66 +/- 1.70   2.499% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   23   6.59 +/- 1.21   0.281% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.16 +/- 0.71   0.010% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.91 +/- 0.56   0.010% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.72 +/- 2.01   0.031% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.89 +/- 0.61   0.034% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  16.80 +/- 2.08   0.002% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.89 +/- 1.04   0.021% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.63 +/- 2.27   0.010% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.65 +/- 0.53   0.005% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.36 +/- 0.81   0.000% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  12.17 +/- 1.57   0.006% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.30 +/- 1.49   0.000% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.71 +/- 1.25   0.003% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.91 +/- 2.14   0.002% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.16 +/- 0.76   0.003% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.72 +/- 1.28   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.35 +/- 1.12   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  16.82 +/- 1.61   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  20.13 +/- 3.96   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.93 +/- 0.63   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.19 +/- 0.72   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.95 +/- 1.53   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  23.64 +/- 2.50   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.12 +/- 1.10   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.28 +/- 2.72   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.95, residual support = 38.1:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  94.351% * 97.9974% (0.87  10.0 10.00   2.95  38.09) =  99.996%  kept
          HB3   SER   37 - QG2   THR   39   4.48 +/- 0.53   1.871% *  0.0946% (0.84   1.0  1.00   0.02   3.17) =   0.002%
          HA    ILE   89 - QB    ALA   91   4.59 +/- 1.31   3.573% *  0.0447% (0.40   1.0  1.00   0.02   7.70) =   0.002%
          HB3   SER   82 - QG2   THR   23   8.58 +/- 1.92   0.058% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.07 +/- 1.70   0.017% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   8.28 +/- 1.88   0.075% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.31 +/- 0.82   0.035% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.06 +/- 0.87   0.001% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.80 +/- 0.73   0.012% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.87 +/- 0.97   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.64 +/- 0.91   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.38 +/- 1.32   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  21.64 +/- 1.16   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  16.27 +/- 1.98   0.001% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.10 +/- 1.34   0.001% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.60 +/- 0.83   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.07 +/- 3.06   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  21.52 +/- 2.24   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.91 +/- 1.38   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.39 +/- 1.23   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.14 +/- 1.42   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.56 +/- 1.71   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.58 +/- 1.03   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.18 +/- 1.57   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 101.2:
    * O T HB2   LEU   40 - HA    LEU   40   2.35 +/- 0.20  97.798% * 97.9662% (1.00  10.0 10.00   5.19 101.21) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.76 +/- 0.68   2.039% *  0.0386% (0.39   1.0  1.00   0.02   1.43) =   0.001%
        T HB2   LEU   40 - HA    GLU-  15  13.17 +/- 1.59   0.010% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.85 +/- 0.42   0.020% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   9.83 +/- 1.62   0.059% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.88 +/- 1.11   0.014% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  10.94 +/- 1.17   0.014% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   9.05 +/- 0.41   0.035% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.48 +/- 1.71   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.17 +/- 1.93   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  15.64 +/- 1.47   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.78 +/- 1.21   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.26 +/- 1.33   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  17.60 +/- 0.89   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.46 +/- 1.73   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.02 +/- 3.27   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  20.09 +/- 1.12   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.04 +/- 4.24   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.24 +/- 1.81   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  27.10 +/- 1.36   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.61 +/- 1.50   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.894, support = 5.35, residual support = 101.2:
    * O T HB3   LEU   40 - HA    LEU   40   2.87 +/- 0.16  64.198% * 70.6117% (1.00  10.0 10.00   5.37 101.21) =  82.953%  kept
      O T HG    LEU   40 - HA    LEU   40   3.26 +/- 0.44  35.151% * 26.5014% (0.38  10.0 10.00   5.29 101.21) =  17.046%  kept
          HG    LEU   67 - HA    GLU-  15  10.84 +/- 2.55   0.406% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  11.96 +/- 1.38   0.017% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.06 +/- 0.39   0.036% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.67 +/- 0.51   0.025% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  11.28 +/- 1.49   0.025% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15   9.85 +/- 1.14   0.052% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  20.17 +/- 2.20   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.69 +/- 0.63   0.028% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.59 +/- 1.20   0.011% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  15.86 +/- 2.84   0.004% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.67 +/- 1.73   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  12.76 +/- 1.46   0.011% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.32 +/- 0.60   0.007% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  14.96 +/- 3.20   0.009% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  20.65 +/- 1.27   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.18 +/- 0.67   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.72 +/- 0.52   0.009% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.49 +/- 2.18   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  27.30 +/- 2.29   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.09 +/- 0.94   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.67 +/- 1.76   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  18.05 +/- 1.51   0.001% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.71 +/- 1.74   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.22 +/- 2.92   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.68 +/- 0.63   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.30 +/- 2.86   0.001% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  22.41 +/- 3.17   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.69 +/- 1.29   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 101.2:
    * O T HA    LEU   40 - HB2   LEU   40   2.35 +/- 0.20  71.161% * 98.0349% (1.00  10.0 10.00   5.19 101.21) =  99.990%  kept
          HA    LYS+  99 - HB2   LEU   40   3.66 +/- 1.69  28.301% *  0.0244% (0.25   1.0  1.00   0.02  11.90) =   0.010%
        T HA    GLU-  15 - HB2   LEU   40  13.17 +/- 1.59   0.009% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40   9.85 +/- 0.42   0.016% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.83 +/- 1.62   0.047% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.88 +/- 1.11   0.011% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  14.78 +/- 5.66   0.018% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.56 +/- 4.52   0.177% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.25 +/- 1.39   0.232% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.92 +/- 0.39   0.011% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.84 +/- 1.64   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.52 +/- 1.52   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.16 +/- 0.96   0.005% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  19.80 +/- 1.31   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  17.60 +/- 0.89   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.43 +/- 1.83   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.05 +/- 0.62   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.22 +/- 1.66   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.28 +/- 1.39   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.20 +/- 1.64   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.32 +/- 1.05   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.68 +/- 1.07   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.975, support = 4.17, residual support = 100.8:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  84.795% * 69.9238% (1.00  10.0 10.00   4.17 101.21) =  96.213%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.67 +/- 0.26   8.042% * 26.2432% (0.38  10.0  1.00   4.73 101.21) =   3.425%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.71 +/- 0.24   7.112% *  3.1374% (0.04  10.0  1.00   5.08  58.26) =   0.362%
        T HB3   LEU   40 - HB2   LEU   67   8.47 +/- 1.31   0.010% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.45 +/- 1.34   0.009% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.58 +/- 1.79   0.006% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  14.33 +/- 2.95   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.78 +/- 2.25   0.001% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.53 +/- 1.76   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.30 +/- 3.31   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  10.66 +/- 2.69   0.004% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  12.77 +/- 1.59   0.001% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.86 +/- 0.45   0.011% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.42 +/- 0.67   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.47 +/- 0.71   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  11.22 +/- 2.86   0.004% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.93 +/- 2.24   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.09 +/- 1.04   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  13.36 +/- 0.87   0.000% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  15.03 +/- 0.75   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 = 5.37, residual support = 101.2:
    * O T HA    LEU   40 - HB3   LEU   40   2.87 +/- 0.16  85.437% * 97.9684% (1.00  10.0 10.00   5.37 101.21) =  99.996%  kept
          HA    LYS+  99 - HB3   LEU   40   4.80 +/- 1.59  11.367% *  0.0244% (0.25   1.0  1.00   0.02  11.90) =   0.003%
        T HA    GLU-  15 - HB3   LEU   40  11.96 +/- 1.38   0.025% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.06 +/- 0.39   0.050% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   6.04 +/- 1.32   2.848% *  0.0047% (0.05   1.0  1.00   0.02   0.34) =   0.000%
          HA    LEU  123 - HB3   LEU   40  14.36 +/- 5.60   0.061% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.57 +/- 0.27   0.036% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.13 +/- 1.20   0.115% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.68 +/- 1.71   0.013% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.39 +/- 1.48   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.67 +/- 1.73   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.74 +/- 1.34   0.027% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  19.08 +/- 1.54   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  20.65 +/- 1.27   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  12.95 +/- 0.83   0.011% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.79 +/- 0.72   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.87 +/- 1.58   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.55 +/- 1.26   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.71 +/- 1.74   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.95 +/- 2.11   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.18 +/- 1.48   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.19 +/- 1.51   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 101.2:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.982% * 99.4293% (1.00  10.0 10.00   4.17 101.21) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.47 +/- 1.31   0.012% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.64 +/- 1.31   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.34 +/- 1.94   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.12 +/- 1.97   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  12.77 +/- 1.59   0.001% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.53 +/- 1.76   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.82 +/- 1.59   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.50 +/- 1.00   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.70 +/- 1.60   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.30 +/- 2.99   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.18 +/- 1.32   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.07 +/- 2.09   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  32.83 +/- 1.74   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 74.1:
    * O T HB    VAL   41 - HA    VAL   41   2.92 +/- 0.17  99.505% * 99.0830% (0.69  10.0 10.00   4.19  74.09) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   8.07 +/- 0.50   0.256% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.87 +/- 1.51   0.093% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.80 +/- 1.01   0.027% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  12.08 +/- 1.47   0.030% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.97 +/- 1.09   0.062% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  13.49 +/- 0.83   0.012% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  14.45 +/- 0.91   0.008% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  19.42 +/- 4.17   0.003% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.55 +/- 1.85   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.56 +/- 1.33   0.002% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  20.30 +/- 1.52   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.74 +/- 1.78   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  23.62 +/- 1.29   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 74.1:
    * O T QG1   VAL   41 - HA    VAL   41   2.47 +/- 0.18  93.012% * 98.7361% (1.00  10.0 10.00   4.13  74.09) =  99.995%  kept
          QG1   VAL   43 - HA    VAL   41   4.87 +/- 0.70   2.291% *  0.0934% (0.95   1.0  1.00   0.02   1.73) =   0.002%
          QD2   LEU   73 - HA    VAL   41   4.68 +/- 0.79   3.733% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   41   6.90 +/- 1.43   0.699% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41  10.35 +/- 0.85   0.023% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.99 +/- 1.08   0.071% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.87 +/- 1.48   0.164% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.22 +/- 0.84   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.40 +/- 0.76   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 74.1:
    * O T QG2   VAL   41 - HA    VAL   41   2.45 +/- 0.39  96.189% * 99.7508% (1.00  10.0 10.00   3.95  74.09) =  99.996%  kept
          QD2   LEU   98 - HA    VAL   41   4.73 +/- 0.63   3.755% *  0.0944% (0.95   1.0  1.00   0.02  26.65) =   0.004%
          QD2   LEU   63 - HA    VAL   41  10.06 +/- 1.62   0.050% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  14.00 +/- 2.55   0.006% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 74.1:
    * O T HA    VAL   41 - HB    VAL   41   2.92 +/- 0.17  99.971% * 99.8595% (0.69  10.0 10.00   4.19  74.09) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  15.51 +/- 4.54   0.015% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  12.99 +/- 0.60   0.013% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 3.91, residual support = 74.1:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  96.494% * 98.7361% (0.69  10.0 10.00   3.91  74.09) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.22 +/- 0.85   2.425% *  0.0934% (0.65   1.0  1.00   0.02   1.73) =   0.002%
          HG    LEU   31 - HB    VAL   41   6.24 +/- 1.52   0.484% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.14 +/- 1.19   0.501% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.06 +/- 1.48   0.064% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  12.07 +/- 1.12   0.004% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.75 +/- 1.84   0.027% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.63 +/- 0.88   0.002% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.95 +/- 0.73   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.92, residual support = 72.7:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  72.431% * 92.7290% (0.69  10.0 10.00   3.99  74.09) =  97.158%  kept
          QD2   LEU   98 - HB    VAL   41   2.85 +/- 1.18  27.563% *  7.1270% (0.65   1.0  1.00   1.62  26.65) =   2.842%  kept
          QD2   LEU   63 - HB    VAL   41  11.17 +/- 1.79   0.005% *  0.0562% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  14.03 +/- 2.45   0.001% *  0.0877% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 74.1:
    * O T HA    VAL   41 - QG2   VAL   41   2.45 +/- 0.39  99.947% * 99.8595% (1.00  10.0 10.00   3.95  74.09) = 100.000%  kept
          HA    HIS  122 - QG2   VAL   41  13.68 +/- 3.77   0.034% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   41  10.37 +/- 0.83   0.020% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.99, residual support = 74.1:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.665% * 99.0830% (0.69  10.0 10.00   3.99  74.09) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   7.25 +/- 1.94   0.150% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.78 +/- 0.64   0.118% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   9.04 +/- 1.64   0.027% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.92 +/- 0.96   0.024% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.65 +/- 1.42   0.010% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.97 +/- 0.68   0.002% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  14.29 +/- 0.79   0.001% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.79 +/- 3.35   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.83 +/- 1.59   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.36 +/- 1.31   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.78 +/- 1.59   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.15 +/- 1.62   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  18.56 +/- 1.47   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.81, residual support = 73.1:
    * O T QG1   VAL   41 - QG2   VAL   41   2.05 +/- 0.06  74.428% * 90.8156% (1.00  10.0 10.00   3.83  74.09) =  98.633%  kept
          QG1   VAL   43 - QG2   VAL   41   3.22 +/- 0.83  11.463% *  8.1078% (0.95   1.0  1.00   1.89   1.73) =   1.356%  kept
          HG    LEU   31 - QG2   VAL   41   3.91 +/- 1.23  12.299% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - QG2   VAL   41   4.47 +/- 0.77   1.678% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QG2   VAL   41   7.65 +/- 1.21   0.051% *  0.1797% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.73 +/- 0.90   0.008% *  0.6940% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.33 +/- 1.09   0.068% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  11.05 +/- 0.95   0.003% *  0.0587% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.36 +/- 0.82   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 = 4.39, residual support = 88.5:
    * O T HB    VAL   42 - HA    VAL   42   2.96 +/- 0.02  93.156% * 97.8517% (0.87  10.0 10.00   4.39  88.53) =  99.993%  kept
          QB    LEU   98 - HA    VAL   42   5.10 +/- 0.85   5.161% *  0.0862% (0.76   1.0  1.00   0.02   0.62) =   0.005%
        T HB2   LYS+ 112 - HA    PHE   55   7.82 +/- 1.71   0.812% *  0.1824% (0.16   1.0 10.00   0.02   3.16) =   0.002%
          HB3   LEU   73 - HA    VAL   42   7.67 +/- 0.98   0.469% *  0.0903% (0.80   1.0  1.00   0.02   1.46) =   0.000%
          HG3   LYS+ 106 - HA    VAL   42   8.76 +/- 1.01   0.279% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  13.15 +/- 2.77   0.035% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.50 +/- 0.66   0.029% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.86 +/- 0.52   0.014% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.80 +/- 0.93   0.016% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.33 +/- 1.12   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.03 +/- 0.74   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.55 +/- 2.22   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  19.88 +/- 1.43   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.72 +/- 2.54   0.006% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.46 +/- 2.05   0.004% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.11 +/- 2.12   0.004% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.46 +/- 1.51   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.84 +/- 1.57   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.37 +/- 1.43   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.13 +/- 1.45   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.68 +/- 1.59   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.06 +/- 1.92   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  30.10 +/- 1.42   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.06 +/- 2.34   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.5:
    * O T QG1   VAL   42 - HA    VAL   42   2.66 +/- 0.21  98.876% * 98.1799% (0.97  10.0 10.00   4.00  88.53) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.26 +/- 0.49   0.127% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.05 +/- 1.74   0.933% *  0.0164% (0.16   1.0  1.00   0.02   3.16) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.25 +/- 1.39   0.048% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.54 +/- 1.00   0.005% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.85 +/- 1.33   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.82 +/- 1.34   0.006% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.56 +/- 1.47   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.5:
    * O T QG2   VAL   42 - HA    VAL   42   2.16 +/- 0.21  99.921% * 99.6660% (0.80  10.0 10.00   4.00  88.53) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.67 +/- 0.61   0.076% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.03 +/- 1.10   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.43 +/- 1.59   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.39, residual support = 88.5:
    * O T HA    VAL   42 - HB    VAL   42   2.96 +/- 0.02  98.539% * 97.9628% (0.87  10.0 10.00   4.39  88.53) =  99.996%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.82 +/- 1.71   0.849% *  0.3914% (0.35   1.0 10.00   0.02   3.16) =   0.003%
          HA    ALA  110 - HB2   LYS+ 112   7.71 +/- 1.27   0.513% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.69 +/- 1.01   0.054% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.33 +/- 1.12   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  19.88 +/- 1.43   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.38 +/- 2.56   0.018% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.08 +/- 0.56   0.009% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  14.07 +/- 0.43   0.009% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.30 +/- 2.89   0.004% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.68 +/- 3.25   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.20 +/- 1.83   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.94 +/- 0.97   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  33.05 +/- 1.38   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.794, support = 4.63, residual support = 103.2:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  81.196% * 65.1690% (0.84  10.0 10.00   4.39  88.53) =  89.666%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.78 +/- 0.27  18.630% * 32.7352% (0.42  10.0 10.00   6.74 230.85) =  10.334%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.35 +/- 2.33   0.005% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB    VAL   42   6.20 +/- 0.62   0.166% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.23 +/- 0.77   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.65 +/- 1.22   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.71 +/- 1.71   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.80 +/- 1.29   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.31, residual support = 88.5:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.966% * 99.1635% (0.69  10.0 10.00   4.31  88.53) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.29 +/- 0.65   0.032% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.19 +/- 1.07   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.14 +/- 1.94   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.39, residual support = 88.5:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  99.263% * 96.3200% (0.84  10.0 10.00   4.39  88.53) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.78 +/- 0.99   0.420% *  0.0889% (0.77   1.0  1.00   0.02   1.46) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.46 +/- 0.59   0.150% *  0.0849% (0.74   1.0  1.00   0.02   0.62) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.35 +/- 2.33   0.006% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.36 +/- 0.92   0.043% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.04 +/- 1.03   0.046% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.11 +/- 0.91   0.010% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.64 +/- 2.06   0.017% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.65 +/- 1.22   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.23 +/- 0.77   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.59 +/- 1.55   0.019% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  11.49 +/- 0.55   0.004% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.61 +/- 1.09   0.008% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.87 +/- 1.03   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.08 +/- 0.62   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.68 +/- 1.69   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.38 +/- 1.73   0.002% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.98 +/- 1.98   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.88 +/- 1.65   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.03 +/- 0.98   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.85 +/- 2.48   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.10 +/- 2.42   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.26 +/- 1.12   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.22 +/- 1.56   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.5:
    * O T QG2   VAL   42 - QG1   VAL   42   2.04 +/- 0.06  99.757% * 98.9960% (0.77  10.0 10.00   4.00  88.53) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.15 +/- 0.74   0.191% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   7.89 +/- 0.92   0.050% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.73 +/- 0.90   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.5:
    * O T HA    VAL   42 - QG2   VAL   42   2.16 +/- 0.21  99.966% * 99.2010% (0.80  10.0 10.00   4.00  88.53) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.94 +/- 0.81   0.016% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.03 +/- 1.10   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.76 +/- 0.66   0.007% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  13.33 +/- 2.35   0.007% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.65 +/- 0.55   0.003% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  17.47 +/- 0.99   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.31, residual support = 88.5:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  98.916% * 98.4381% (0.69  10.0 10.00   4.31  88.53) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.29 +/- 0.76   0.581% *  0.0867% (0.61   1.0  1.00   0.02   0.62) =   0.001%
          HG3   LYS+ 106 - QG2   VAL   42   7.55 +/- 1.09   0.341% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   7.42 +/- 0.85   0.080% *  0.0909% (0.64   1.0  1.00   0.02   1.46) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.57 +/- 2.22   0.048% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.05 +/- 1.16   0.016% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.19 +/- 1.07   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.96 +/- 0.75   0.006% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.18 +/- 1.12   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.48 +/- 0.59   0.004% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.96 +/- 1.62   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.69 +/- 2.25   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.5:
    * O T QG1   VAL   42 - QG2   VAL   42   2.04 +/- 0.06  99.691% * 98.8869% (0.77  10.0 10.00   4.00  88.53) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.72 +/- 0.69   0.306% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.73 +/- 0.90   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.58 +/- 1.31   0.001% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.6:
    * O T HB    VAL   43 - HA    VAL   43   2.97 +/- 0.05  99.968% * 99.7401% (0.97  10.0 10.00   3.30  60.64) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.65 +/- 0.65   0.018% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  14.20 +/- 1.00   0.010% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.89 +/- 0.96   0.005% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.891, support = 4.34, residual support = 59.9:
    * O T QG1   VAL   43 - HA    VAL   43   2.58 +/- 0.24  74.010% * 95.4174% (0.90  10.0 10.00   4.38  60.64) =  98.513%  kept
          QD2   LEU   73 - HA    VAL   43   4.00 +/- 1.43  25.371% *  4.1982% (0.53   1.0  1.00   1.50   7.84) =   1.486%  kept
          QG1   VAL   41 - HA    VAL   43   7.16 +/- 0.38   0.192% *  0.1055% (0.99   1.0  1.00   0.02   1.73) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.12 +/- 1.14   0.128% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    VAL   43   8.21 +/- 1.09   0.103% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.09 +/- 0.79   0.104% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.55 +/- 0.84   0.066% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.66 +/- 0.93   0.011% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.31 +/- 1.27   0.015% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.6:
    * O T QG2   VAL   43 - HA    VAL   43   2.22 +/- 0.20  99.512% * 98.9143% (0.69  10.0 10.00   3.00  60.64) =  99.995%  kept
        T QD2   LEU   31 - HA    VAL   43   5.85 +/- 0.83   0.435% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HA    VAL   43   9.08 +/- 2.85   0.053% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.6:
    * O T HA    VAL   43 - HB    VAL   43   2.97 +/- 0.05  99.943% * 99.8083% (0.97  10.0 10.00   3.30  60.64) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  10.95 +/- 0.68   0.045% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  14.33 +/- 0.90   0.009% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.38 +/- 0.74   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.74, residual support = 60.6:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.190% * 97.7514% (0.87  10.0 10.00   3.74  60.64) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.46 +/- 0.41   0.056% *  1.0803% (0.96   1.0 10.00   0.02   1.73) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.14 +/- 1.45   0.659% *  0.0573% (0.51   1.0  1.00   0.02   7.84) =   0.000%
        T QG2   VAL   18 - HB    VAL   43  10.43 +/- 1.04   0.009% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.36 +/- 1.11   0.038% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.38 +/- 1.37   0.015% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.81 +/- 0.81   0.024% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.69 +/- 1.04   0.007% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.03 +/- 0.84   0.003% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.6:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.673% * 98.9143% (0.66  10.0 10.00   2.89  60.64) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   6.31 +/- 0.54   0.170% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   8.31 +/- 3.15   0.157% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.38, residual support = 60.6:
    * O T HA    VAL   43 - QG1   VAL   43   2.58 +/- 0.24  99.855% * 99.8083% (0.90  10.0 10.00   4.38  60.64) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.12 +/- 0.75   0.123% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.67 +/- 0.96   0.013% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.75 +/- 0.67   0.008% *  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 = 3.74, residual support = 60.6:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  99.980% * 99.7401% (0.87  10.0 10.00   3.74  60.64) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.30 +/- 0.82   0.017% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.89 +/- 1.33   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.76 +/- 0.99   0.001% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.86, residual support = 60.6:
    * O T QG2   VAL   43 - QG1   VAL   43   2.02 +/- 0.06  97.642% * 98.9143% (0.62  10.0 10.00   3.86  60.64) =  99.976%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.00 +/- 0.58   2.172% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.024%
          QG2   VAL   83 - QG1   VAL   43   7.26 +/- 2.78   0.186% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.6:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.810% * 99.3815% (0.66  10.0 10.00   2.89  60.64) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.31 +/- 0.54   0.170% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.44 +/- 0.76   0.004% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  12.10 +/- 1.02   0.003% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.71 +/- 1.25   0.008% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.60 +/- 1.05   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.72 +/- 1.58   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.72 +/- 1.06   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.546, support = 4.16, residual support = 85.4:
    * O T QG1   VAL   43 - QG2   VAL   43   2.02 +/- 0.06  48.311% * 80.9559% (0.62  10.0 10.00   3.86  60.64) =  85.514%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  37.197% * 17.7908% (0.14  10.0 10.00   5.89 231.46) =  14.469%  kept
        T QG1   VAL   43 - QD2   LEU   31   4.00 +/- 0.58   1.090% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - QG2   VAL   43   4.43 +/- 1.41   5.085% *  0.0475% (0.36   1.0  1.00   0.02   7.84) =   0.005%
          QG1   VAL   41 - QD2   LEU   31   3.62 +/- 1.02   6.869% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   31 - QG2   VAL   43   6.09 +/- 1.15   0.115% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   4.41 +/- 0.88   1.138% *  0.0136% (0.10   1.0  1.00   0.02   3.36) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.42 +/- 0.49   0.057% *  0.0895% (0.68   1.0  1.00   0.02   1.73) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.81 +/- 0.60   0.038% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   8.29 +/- 1.04   0.018% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.06 +/- 0.86   0.016% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.53 +/- 0.49   0.048% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.95 +/- 0.96   0.004% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.96 +/- 1.19   0.006% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.51 +/- 0.78   0.003% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.66 +/- 0.54   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.26 +/- 1.47   0.004% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.49 +/- 1.11   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   2.90 +/- 0.21  99.615% * 97.1917% (1.00  10.0 10.00   2.68  37.78) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.12 +/- 0.86   0.279% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.31 +/- 1.20   0.005% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  16.82 +/- 1.80   0.004% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  11.27 +/- 2.00   0.056% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  13.81 +/- 1.18   0.011% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.69 +/- 0.89   0.026% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  24.85 +/- 2.38   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.68 +/- 0.73   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.58 +/- 0.23  97.487% * 98.4998% (1.00  10.0 10.00   4.00  37.78) =  99.998%  kept
          HB3   PRO   93 - HA    ASP-  44   6.57 +/- 1.20   2.232% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   84 - HA    ASP-  44  11.16 +/- 1.50   0.021% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.54 +/- 1.20   0.130% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.97 +/- 1.92   0.057% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  12.58 +/- 2.18   0.014% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  14.78 +/- 2.38   0.014% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.17 +/- 0.78   0.034% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.20 +/- 0.72   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.32 +/- 2.20   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.18 +/- 0.79   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.53 +/- 1.75   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.32 +/- 0.54   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   2.90 +/- 0.21  99.553% * 98.1053% (1.00  10.0 10.00   2.68  37.78) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.45 +/- 1.40   0.389% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.62 +/- 0.71   0.026% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.12 +/- 1.56   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.87 +/- 1.17   0.010% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.79 +/- 0.68   0.006% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  25.65 +/- 2.59   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  18.02 +/- 1.72   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.99 +/- 0.64   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.18 +/- 0.89   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  18.29 +/- 2.43   0.002% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.54 +/- 2.42   0.001% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.820% * 99.2040% (1.00  10.0 10.00   2.61  37.78) = 100.000%  kept
          HB3   PRO   93 - HB2   ASP-  44   7.44 +/- 1.44   0.147% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   ASP-  44   7.28 +/- 0.98   0.026% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.41 +/- 2.04   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.97 +/- 1.22   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.86 +/- 1.98   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.46 +/- 0.99   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.26 +/- 2.52   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.39 +/- 0.96   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.89 +/- 2.27   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.79 +/- 1.16   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.94 +/- 2.11   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.37 +/- 0.70   0.000% *  0.0338% (0.34   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 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   2.58 +/- 0.23  99.627% * 99.3093% (1.00  10.0 10.00   4.00  37.78) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.90 +/- 1.67   0.335% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.35 +/- 0.98   0.020% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.92 +/- 1.11   0.005% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.04 +/- 1.16   0.004% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  17.79 +/- 1.85   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.40 +/- 1.18   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.75 +/- 0.80   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.16 +/- 1.72   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  18.24 +/- 2.53   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.64 +/- 2.33   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.77 +/- 2.52   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.960% * 99.4398% (1.00  10.0 10.00   2.61  37.78) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.95 +/- 0.76   0.033% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.65 +/- 1.96   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.70 +/- 1.96   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.21 +/- 1.43   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.49 +/- 1.17   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.68 +/- 1.31   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.91 +/- 1.28   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.95 +/- 2.24   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB2   PHE   45 - HA    PHE   45   3.02 +/- 0.17  99.851% * 99.8680% (1.00  10.0 10.00   3.31  80.10) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.30 +/- 0.88   0.140% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.69 +/- 2.13   0.008% *  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 = 80.1:
    * O T HB3   PHE   45 - HA    PHE   45   2.60 +/- 0.17  99.958% * 99.6736% (1.00  10.0 10.00   4.00  80.10) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  11.33 +/- 0.94   0.017% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.73 +/- 2.07   0.013% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  14.14 +/- 1.98   0.006% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.75 +/- 0.69   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.88 +/- 1.00   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.86 +/- 0.87   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HA    PHE   45 - HB2   PHE   45   3.02 +/- 0.17  99.986% * 99.9145% (1.00  10.0 10.00   3.31  80.10) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.84 +/- 0.69   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.45 +/- 2.04   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.993% * 99.6736% (1.00  10.0 10.00   3.31  80.10) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.99 +/- 1.23   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.56 +/- 2.23   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.36 +/- 2.43   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.53 +/- 1.33   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.58 +/- 0.78   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.96 +/- 1.33   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 = 80.1:
    * O T HA    PHE   45 - HB3   PHE   45   2.60 +/- 0.17  99.995% * 99.9145% (1.00  10.0 10.00   4.00  80.10) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.34 +/- 0.50   0.004% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.56 +/- 2.01   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.1:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.10) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  11.19 +/- 0.79   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  14.80 +/- 2.32   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   2.55 +/- 0.11  99.985% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  12.99 +/- 2.08   0.013% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.62 +/- 2.56   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.42 +/- 1.21   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  20.11 +/- 4.70   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.88 +/- 1.27   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.95 +/- 2.92   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.82 +/- 1.44   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.37 +/- 1.78   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   2.86 +/- 0.37  98.923% * 97.3989% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          QD1   ILE   19 - HA    SER   13   8.77 +/- 1.89   0.532% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.21 +/- 0.42   0.233% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46  10.12 +/- 1.25   0.084% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.22 +/- 0.70   0.073% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  11.10 +/- 1.14   0.055% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.53 +/- 1.15   0.027% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.56 +/- 0.85   0.011% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.96 +/- 2.44   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.35 +/- 0.82   0.008% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.42 +/- 0.79   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  14.16 +/- 1.08   0.008% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.48 +/- 0.77   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.58 +/- 0.51   0.005% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  15.31 +/- 1.77   0.007% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.12 +/- 0.51   0.014% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.44 +/- 1.31   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.57 +/- 2.04   0.003% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.13 +/- 0.81   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.51 +/- 2.21   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.55 +/- 2.44   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   2.55 +/- 0.11  99.968% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.03 +/- 1.40   0.023% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.48 +/- 0.88   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  15.20 +/- 1.61   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.62 +/- 2.56   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.42 +/- 1.21   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.98 +/- 1.48   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.91 +/- 0.91   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  99.948% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.76 +/- 1.34   0.036% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.43 +/- 1.07   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.31 +/- 1.11   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.51 +/- 0.85   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.90 +/- 1.61   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.08 +/- 0.93   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   2.86 +/- 0.37  99.774% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   9.41 +/- 1.51   0.156% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  12.27 +/- 1.77   0.023% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  10.91 +/- 0.95   0.035% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.96 +/- 2.44   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.42 +/- 0.79   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.30 +/- 1.51   0.005% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.19 +/- 0.86   0.003% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.987% * 99.8459% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  11.82 +/- 2.30   0.012% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  15.45 +/- 2.14   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  99.995% * 99.0048% (0.95  10.0 10.00   2.00  11.04) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.01 +/- 0.86   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.23 +/- 2.89   0.001% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.28 +/- 0.98   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.94, support = 2.01, residual support = 11.0:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  83.943% * 93.3058% (0.95  10.0 10.00   2.00  11.04) =  98.914%  kept
          HA    CYS   50 - QB    ALA   47   3.50 +/- 1.00  15.230% *  5.6471% (0.42   1.0  1.00   2.70   6.89) =   1.086%  kept
          HA    TRP   49 - QB    ALA   47   4.75 +/- 0.16   0.708% *  0.0259% (0.26   1.0  1.00   0.02  15.95) =   0.000%
          HA    VAL  108 - QG1   VAL   42   9.67 +/- 1.54   0.072% *  0.0701% (0.71   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.01 +/- 0.86   0.002% *  0.7147% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47  10.06 +/- 1.25   0.014% *  0.0915% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.59 +/- 1.55   0.012% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.94 +/- 1.92   0.010% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.24 +/- 0.76   0.008% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.96 +/- 1.74   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  14.54 +/- 0.84   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.41 +/- 1.18   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.8, residual support = 9.58:
    * O T QB    SER   48 - HA    SER   48   2.33 +/- 0.09  99.180% * 96.0221% (1.00  10.0 10.00   1.80   9.58) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.68 +/- 0.28   0.517% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   51 - HA    SER   48   7.98 +/- 1.44   0.174% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.43 +/- 2.33   0.007% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.51 +/- 1.35   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   9.37 +/- 1.84   0.079% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.94 +/- 1.19   0.005% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.33 +/- 0.62   0.014% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  20.74 +/- 1.85   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.36 +/- 1.45   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.68 +/- 3.80   0.005% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.14 +/- 2.70   0.004% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  24.17 +/- 1.81   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  16.78 +/- 2.40   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.63 +/- 1.50   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  22.98 +/- 0.78   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.09 +/- 1.16   0.007% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.42 +/- 1.15   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  27.94 +/- 2.17   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.40 +/- 2.67   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  25.25 +/- 2.51   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.47 +/- 1.61   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  25.40 +/- 1.42   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  26.91 +/- 1.41   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.64 +/- 1.16   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.79 +/- 2.29   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.90 +/- 1.07   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.31 +/- 1.87   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  33.10 +/- 2.41   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  33.39 +/- 2.12   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 85.1:
    * O T HB2   TRP   49 - HA    TRP   49   2.46 +/- 0.10  98.583% * 50.9151% (1.00  10.0 10.00   4.12  86.17) =  98.716%  kept
        T HB2   TRP   49 - HA    CYS   50   5.06 +/- 0.28   1.360% * 47.9899% (0.94   1.0 10.00   3.36   3.58) =   1.284%  kept
        T HA2   GLY  109 - HA    CYS   50  12.16 +/- 2.85   0.021% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.94 +/- 3.24   0.011% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  14.14 +/- 2.10   0.012% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.39 +/- 1.44   0.005% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.97 +/- 1.49   0.004% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.49 +/- 1.57   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.80 +/- 1.88   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.98 +/- 1.37   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.13 +/- 1.42   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.67 +/- 2.10   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.12, residual support = 86.2:
    * O T HB3   TRP   49 - HA    TRP   49   2.40 +/- 0.09  99.525% * 98.8838% (0.84  10.0 10.00   4.12  86.17) =  99.996%  kept
        T HB3   TRP   49 - HA    CYS   50   5.94 +/- 0.21   0.471% *  0.9320% (0.79   1.0 10.00   0.02   3.58) =   0.004%
          HB3   PHE   59 - HA    CYS   50  13.62 +/- 1.33   0.003% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.15 +/- 0.98   0.001% *  0.0948% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 86.2:
    * O T HA    TRP   49 - HB2   TRP   49   2.46 +/- 0.10  98.437% * 97.9260% (1.00  10.0 10.00   4.12  86.17) =  99.987%  kept
        T HA    CYS   50 - HB2   TRP   49   5.06 +/- 0.28   1.358% *  0.9263% (0.95   1.0 10.00   0.02   3.58) =   0.013%
        T HA1   GLY  109 - HB2   TRP   49  15.71 +/- 2.96   0.020% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HB2   TRP   49   7.28 +/- 0.29   0.154% *  0.0272% (0.28   1.0  1.00   0.02  15.95) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.24 +/- 2.78   0.031% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  21.92 +/- 1.46   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.57 +/- 3.82   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 86.2:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  86.17) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.80 +/- 1.08   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.12, residual support = 86.2:
    * O T HA    TRP   49 - HB3   TRP   49   2.40 +/- 0.09  99.169% * 98.7661% (0.84  10.0 10.00   4.12  86.17) =  99.995%  kept
        T HA    CYS   50 - HB3   TRP   49   5.94 +/- 0.21   0.468% *  0.9343% (0.79   1.0 10.00   0.02   3.58) =   0.004%
          HA    ALA   47 - HB3   TRP   49   6.57 +/- 0.59   0.343% *  0.0275% (0.23   1.0  1.00   0.02  15.95) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  16.42 +/- 2.88   0.007% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.71 +/- 2.58   0.012% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  21.08 +/- 1.73   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.39 +/- 3.89   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 86.2:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.980% * 99.6151% (0.84  10.0 10.00   3.00  86.17) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  13.37 +/- 2.63   0.019% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  16.22 +/- 2.96   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.16 +/- 1.53   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.08 +/- 1.60   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.35 +/- 2.42   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.63, residual support = 7.34:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.16  98.196% * 51.3514% (1.00  10.0 10.00   1.61   7.39) =  98.531%  kept
        T QB    CYS   50 - HA    TRP   49   4.74 +/- 0.46   1.553% * 48.4012% (0.94   1.0 10.00   3.10   3.58) =   1.469%  kept
          HB3   ASP-  78 - HA    TRP   49   9.37 +/- 3.01   0.203% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.71 +/- 1.86   0.017% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.96 +/- 2.31   0.026% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.46 +/- 1.55   0.005% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.42 +/- 2.19   0.000% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.80 +/- 1.11   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.69 +/- 2.33   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.48 +/- 1.22   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.61, residual support = 7.39:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.16  97.116% * 98.7658% (1.00  10.0 10.00   1.61   7.39) =  99.984%  kept
        T HA    TRP   49 - QB    CYS   50   4.74 +/- 0.46   1.534% *  0.9343% (0.95   1.0 10.00   0.02   3.58) =   0.015%
          HA    ALA   47 - QB    CYS   50   5.20 +/- 0.74   1.301% *  0.0443% (0.45   1.0  1.00   0.02   6.89) =   0.001%
          HA1   GLY  109 - QB    CYS   50  11.32 +/- 2.70   0.025% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  11.19 +/- 2.45   0.023% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  16.82 +/- 1.24   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.13 +/- 2.41   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.1, residual support = 224.3:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  97.783% * 99.8323% (1.00  10.0 10.00   7.10 224.35) =  99.999%  kept
          HA    LYS+ 111 - HD2   PRO   52  11.09 +/- 2.33   0.849% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HD2   PRO   52   8.91 +/- 1.59   1.236% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.61 +/- 2.13   0.128% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.55 +/- 1.08   0.004% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 224.3:
    * O T HB2   PRO   52 - HD2   PRO   52   3.98 +/- 0.08  99.954% * 99.5699% (1.00  10.0 10.00   6.58 224.35) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.33 +/- 2.65   0.028% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.06 +/- 0.82   0.017% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 224.3:
    * O T HB3   PRO   52 - HD2   PRO   52   3.91 +/- 0.08  88.473% * 98.1836% (1.00  10.0 10.00   6.69 224.35) =  99.996%  kept
          HG2   PRO   93 - HD2   PRO   52   6.67 +/- 1.37   6.912% *  0.0303% (0.31   1.0  1.00   0.02   0.24) =   0.002%
          HG2   ARG+  54 - HD2   PRO   52   6.61 +/- 0.51   4.267% *  0.0368% (0.38   1.0  1.00   0.02   1.75) =   0.002%
        T QB    LYS+  81 - HD2   PRO   52  15.09 +/- 2.15   0.068% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  11.24 +/- 1.97   0.247% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.38 +/- 2.09   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  18.99 +/- 1.29   0.008% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.28 +/- 2.85   0.005% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.09 +/- 1.29   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.79 +/- 2.14   0.007% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.95 +/- 2.96   0.005% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.19 +/- 1.76   0.003% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.10 +/- 1.67   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.21 +/- 2.19   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 224.3:
    * O T HG2   PRO   52 - HD2   PRO   52   2.58 +/- 0.28  99.050% * 99.6094% (1.00  10.0 10.00   6.50 224.35) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   7.05 +/- 1.94   0.926% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  12.55 +/- 2.10   0.017% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.97 +/- 1.81   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.39 +/- 0.92   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.59 +/- 1.27   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.64 +/- 1.33   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 224.3:
    * O T HG3   PRO   52 - HD2   PRO   52   2.58 +/- 0.28  99.784% * 98.5427% (1.00  10.0 10.00   6.50 224.35) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.74 +/- 0.86   0.010% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   7.69 +/- 1.34   0.206% *  0.0304% (0.31   1.0  1.00   0.02   0.24) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.71 +/- 1.22   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.40 +/- 1.55   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.68 +/- 2.62   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.34 +/- 1.53   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.15 +/- 3.30   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 224.3:
    * O T HB2   PRO   52 - HA    PRO   52   2.43 +/- 0.20  99.997% * 99.5699% (1.00  10.0 10.00   5.17 224.35) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  18.95 +/- 2.59   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.28 +/- 1.10   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 224.3:
    * O T HB3   PRO   52 - HA    PRO   52   2.60 +/- 0.20  98.761% * 99.2796% (1.00  10.0 10.00   6.16 224.35) = 100.000%  kept
          HG2   ARG+  54 - HA    PRO   52   6.40 +/- 0.66   0.657% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG2   PRO   93 - HA    PRO   52   6.95 +/- 1.73   0.571% *  0.0306% (0.31   1.0  1.00   0.02   0.24) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.21 +/- 2.28   0.002% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.25 +/- 2.07   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.60 +/- 1.47   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.06 +/- 2.48   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.90 +/- 1.96   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.75 +/- 2.46   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.97 +/- 1.60   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.18 +/- 2.58   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.05 +/- 1.50   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.28 +/- 1.86   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.18 +/- 1.08   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 224.3:
    * O T HG2   PRO   52 - HA    PRO   52   3.93 +/- 0.05  90.760% * 99.6094% (1.00  10.0 10.00   5.98 224.35) =  99.993%  kept
          HG2   MET   92 - HA    PRO   52   8.58 +/- 2.97   8.776% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HA    PRO   52  10.96 +/- 1.76   0.327% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.30 +/- 1.25   0.127% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.98 +/- 1.64   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.31 +/- 1.54   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.77 +/- 1.14   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 0.34 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 224.3:
    * O T HG3   PRO   52 - HA    PRO   52   3.93 +/- 0.05  98.033% * 98.7160% (1.00  10.0 10.00   5.97 224.35) =  99.995%  kept
        T HG2   PRO   58 - HA    PRO   52  10.32 +/- 1.34   0.417% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HA    PRO   52   8.53 +/- 1.55   1.545% *  0.0305% (0.31   1.0  1.00   0.02   0.24) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  29.24 +/- 2.22   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.10 +/- 2.00   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  26.58 +/- 1.42   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.23 +/- 1.08   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.74 +/- 2.46   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.81 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.1, residual support = 224.3:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.559% * 99.4673% (1.00  10.0 10.00   7.10 224.35) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  10.56 +/- 1.16   0.397% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  18.99 +/- 1.86   0.010% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.68 +/- 1.75   0.008% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.08 +/- 1.00   0.005% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.59 +/- 0.90   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  19.94 +/- 2.16   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.54 +/- 2.02   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.31 +/- 1.11   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.44 +/- 1.36   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.03 +/- 1.11   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.25 +/- 1.22   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.76 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 224.3:
    * O T HA    PRO   52 - HB2   PRO   52   2.43 +/- 0.20  99.394% * 99.4915% (1.00  10.0 10.00   5.17 224.35) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   8.30 +/- 1.99   0.422% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52  10.32 +/- 2.30   0.080% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.62 +/- 2.31   0.031% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.92 +/- 1.30   0.064% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  18.95 +/- 2.59   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  13.48 +/- 1.35   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.31 +/- 1.48   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.12 +/- 1.25   0.002% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.97 +/- 1.93   0.000% *  0.0523% (0.53   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 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 = 6.26, residual support = 224.3:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  99.078% * 98.7825% (1.00  10.0 10.00   6.26 224.35) = 100.000%  kept
          HG2   PRO   93 - HB2   PRO   52   6.09 +/- 1.88   0.392% *  0.0305% (0.31   1.0  1.00   0.02   0.24) =   0.000%
          HG12  ILE  103 - HG2   MET   96   5.40 +/- 2.12   0.364% *  0.0260% (0.26   1.0  1.00   0.02   7.13) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.50 +/- 1.82   0.089% *  0.0119% (0.12   1.0  1.00   0.02   7.13) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.76 +/- 1.42   0.036% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.31 +/- 0.51   0.010% *  0.0371% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.27 +/- 1.58   0.024% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.21 +/- 2.76   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.66 +/- 2.25   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.50 +/- 1.08   0.005% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.02 +/- 2.28   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  17.92 +/- 1.74   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.58 +/- 1.27   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  18.24 +/- 2.06   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.22 +/- 2.58   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.52 +/- 1.33   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.59 +/- 3.04   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.06 +/- 2.38   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.25 +/- 2.95   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.18 +/- 2.51   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.60 +/- 1.26   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.97 +/- 3.11   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.95 +/- 1.94   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.57 +/- 1.42   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.84 +/- 1.98   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.30 +/- 2.14   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.36 +/- 2.47   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.85 +/- 1.96   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.3:
    * O T HG2   PRO   52 - HB2   PRO   52   2.72 +/- 0.28  84.609% * 99.2053% (1.00  10.0 10.00   6.11 224.35) =  99.988%  kept
          HG2   MET   92 - HB2   PRO   52   7.21 +/- 3.35  15.275% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.012%
          QG    GLU- 114 - HB2   PRO   52  10.26 +/- 1.78   0.059% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.26 +/- 2.96   0.007% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.27 +/- 1.67   0.032% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.34 +/- 1.30   0.011% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.81 +/- 1.89   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.23 +/- 1.31   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  18.58 +/- 1.45   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.91 +/- 1.72   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.20 +/- 1.35   0.000% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.82 +/- 1.84   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.30 +/- 1.86   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.31 +/- 2.05   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.3:
    * O T HG3   PRO   52 - HB2   PRO   52   2.49 +/- 0.29  99.218% * 98.0617% (1.00  10.0 10.00   6.11 224.35) = 100.000%  kept
          HB2   PRO   93 - HB2   PRO   52   7.76 +/- 2.06   0.739% *  0.0303% (0.31   1.0  1.00   0.02   0.24) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.40 +/- 1.35   0.015% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.62 +/- 3.36   0.005% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.92 +/- 2.08   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.15 +/- 1.24   0.016% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.65 +/- 1.16   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.54 +/- 1.94   0.003% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.81 +/- 2.64   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.88 +/- 1.35   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.56 +/- 2.84   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.46 +/- 2.19   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.82 +/- 1.98   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.69 +/- 2.00   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.81 +/- 3.74   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.12 +/- 3.15   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 224.3:
    * O T HD2   PRO   52 - HB2   PRO   52   3.98 +/- 0.08  99.453% * 99.0230% (1.00  10.0 10.00   6.58 224.35) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.04 +/- 1.03   0.259% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.33 +/- 2.65   0.028% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  17.63 +/- 2.24   0.017% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  16.10 +/- 1.33   0.027% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  16.86 +/- 3.09   0.028% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  18.67 +/- 2.00   0.012% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  16.91 +/- 3.16   0.029% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.35 +/- 1.07   0.034% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.64 +/- 1.58   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.29 +/- 1.75   0.011% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.82 +/- 1.75   0.007% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  19.96 +/- 2.19   0.008% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.03 +/- 1.00   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  19.59 +/- 3.51   0.013% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.78 +/- 2.12   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.48 +/- 1.31   0.016% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.58 +/- 2.86   0.019% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.47 +/- 1.76   0.006% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.74 +/- 1.81   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.16 +/- 1.31   0.013% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.75 +/- 2.39   0.001% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.48 +/- 2.04   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.79 +/- 2.27   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 224.3:
    * O T HA    PRO   52 - HB3   PRO   52   2.60 +/- 0.20  96.735% * 99.6990% (1.00  10.0 10.00   6.16 224.35) =  99.998%  kept
          HA    LYS+ 111 - HB3   PRO   52   7.92 +/- 2.36   3.109% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52   9.83 +/- 2.15   0.065% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.02 +/- 2.28   0.044% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.21 +/- 2.28   0.002% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.21 +/- 2.09   0.038% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  14.08 +/- 1.72   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.39 +/- 1.26   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  22.37 +/- 2.85   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  21.24 +/- 1.65   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 224.3:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.26 224.35) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.21 +/- 2.76   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.66 +/- 2.25   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.59 +/- 1.48   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  18.24 +/- 2.06   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.33 +/- 1.25   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 224.3:
    * O T HG2   PRO   52 - HB3   PRO   52   2.46 +/- 0.24  91.689% * 99.4355% (1.00  10.0 10.00   6.19 224.35) =  99.994%  kept
          HG2   MET   92 - HB3   PRO   52   6.92 +/- 3.08   7.998% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HB3   PRO   52   9.84 +/- 2.11   0.067% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   6.99 +/- 0.35   0.222% *  0.0091% (0.09   1.0  1.00   0.02   1.54) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.74 +/- 2.18   0.002% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.11 +/- 1.26   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.80 +/- 1.57   0.007% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.35 +/- 1.63   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.74 +/- 2.37   0.007% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.27 +/- 1.49   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  20.45 +/- 2.28   0.000% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.50 +/- 1.81   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.70 +/- 1.46   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  26.22 +/- 1.97   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 224.3:
    * O T HG3   PRO   52 - HB3   PRO   52   2.69 +/- 0.26  99.372% * 98.1909% (1.00  10.0 10.00   6.18 224.35) =  99.998%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.25 +/- 1.66   0.423% *  0.3031% (0.31   1.0 10.00   0.02   0.24) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  11.19 +/- 1.34   0.031% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  15.91 +/- 2.24   0.004% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.59 +/- 1.82   0.159% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.98 +/- 1.86   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.60 +/- 1.75   0.007% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.07 +/- 2.69   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  21.90 +/- 1.91   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  26.36 +/- 2.06   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  18.01 +/- 1.80   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.83 +/- 2.16   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.15 +/- 1.40   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.60 +/- 2.71   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  31.07 +/- 3.97   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.36 +/- 0.99   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 224.3:
    * O T HD2   PRO   52 - HB3   PRO   52   3.91 +/- 0.08  52.174% * 97.9761% (1.00  10.0 10.00   6.69 224.35) =  99.995%  kept
          HB2   SER   82 - QB    LYS+  81   4.40 +/- 0.26  28.050% *  0.0038% (0.04   1.0  1.00   0.02  18.35) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.00 +/- 0.81  18.377% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   PRO   52  10.75 +/- 0.91   0.141% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.09 +/- 0.77   0.757% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.09 +/- 2.15   0.042% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.12 +/- 2.28   0.414% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.29 +/- 2.04   0.009% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  18.34 +/- 1.83   0.006% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  21.06 +/- 2.13   0.003% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.13 +/- 1.80   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.79 +/- 1.77   0.007% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  21.22 +/- 1.68   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.31 +/- 1.35   0.004% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  19.64 +/- 2.44   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.88 +/- 1.35   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.34 +/- 1.89   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  25.28 +/- 1.65   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.19 +/- 1.72   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  23.08 +/- 1.99   0.001% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.44 +/- 0.73   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.14 +/- 0.80   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.17 +/- 0.83   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  29.28 +/- 1.64   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.69 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 224.3:
    * O T HA    PRO   52 - HG2   PRO   52   3.93 +/- 0.05  93.218% * 99.8323% (1.00  10.0 10.00   5.98 224.35) =  99.997%  kept
          HA    LYS+ 111 - HG2   PRO   52   9.59 +/- 2.52   3.498% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HG2   PRO   52   8.41 +/- 2.01   2.369% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  13.08 +/- 2.48   0.911% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.90 +/- 1.39   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.3:
    * O T HB2   PRO   52 - HG2   PRO   52   2.72 +/- 0.28  99.991% * 99.5699% (1.00  10.0 10.00   6.11 224.35) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.26 +/- 2.96   0.007% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.21 +/- 1.18   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 224.3:
    * O T HB3   PRO   52 - HG2   PRO   52   2.46 +/- 0.24  97.844% * 99.2796% (1.00  10.0 10.00   6.19 224.35) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   5.94 +/- 1.56   2.056% *  0.0306% (0.31   1.0  1.00   0.02   0.24) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.52 +/- 0.57   0.065% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  10.83 +/- 2.32   0.029% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.74 +/- 2.18   0.003% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.12 +/- 2.99   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  18.90 +/- 1.67   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.49 +/- 2.55   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.69 +/- 2.44   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.62 +/- 3.16   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.67 +/- 2.08   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.10 +/- 2.00   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.16 +/- 2.49   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.25 +/- 1.65   0.000% *  0.0248% (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 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 = 6.0, residual support = 224.3:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.960% * 98.7160% (1.00  10.0 10.00   6.00 224.35) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.30 +/- 1.41   0.039% *  0.0305% (0.31   1.0  1.00   0.02   0.24) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.01 +/- 1.22   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  20.79 +/- 1.88   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  29.43 +/- 2.79   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.45 +/- 1.83   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.77 +/- 1.57   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  37.93 +/- 3.11   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 = 6.5, residual support = 224.3:
    * O T HD2   PRO   52 - HG2   PRO   52   2.58 +/- 0.28  99.935% * 99.4673% (1.00  10.0 10.00   6.50 224.35) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.47 +/- 1.00   0.057% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.53 +/- 1.93   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.74 +/- 1.80   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.80 +/- 1.32   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.38 +/- 1.30   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.76 +/- 1.92   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.38 +/- 2.25   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.17 +/- 1.52   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.80 +/- 2.00   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.32 +/- 1.47   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.07 +/- 1.90   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 224.3:
    * O T HA    PRO   52 - HG3   PRO   52   3.93 +/- 0.05  91.642% * 98.8988% (1.00  10.0 10.00   5.97 224.35) =  99.992%  kept
        T HA    PRO   52 - HG2   PRO   58  10.32 +/- 1.34   0.395% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG3   PRO   52   9.75 +/- 2.57   4.773% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HG3   PRO   52   8.80 +/- 2.11   1.845% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   58  10.92 +/- 2.67   0.927% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG3   PRO   52  13.39 +/- 2.46   0.305% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.16 +/- 1.72   0.095% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.38 +/- 2.10   0.011% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.03 +/- 2.29   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.46 +/- 1.47   0.003% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.33 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.3:
    * O T HB2   PRO   52 - HG3   PRO   52   2.49 +/- 0.29  99.405% * 98.4337% (1.00  10.0 10.00   6.11 224.35) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.14 +/- 0.69   0.573% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.40 +/- 1.35   0.015% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.62 +/- 3.36   0.005% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.92 +/- 2.08   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.07 +/- 1.52   0.002% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 224.3:
    * O T HB3   PRO   52 - HG3   PRO   52   2.69 +/- 0.26  97.131% * 97.4419% (1.00  10.0 10.00   6.18 224.35) =  99.992%  kept
        T HG2   PRO   93 - HG3   PRO   52   6.15 +/- 1.73   2.466% *  0.3008% (0.31   1.0 10.00   0.02   0.24) =   0.008%
        T HB3   PRO   52 - HG2   PRO   58  11.19 +/- 1.34   0.031% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  11.10 +/- 2.54   0.050% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.49 +/- 0.52   0.118% *  0.0366% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.03 +/- 1.54   0.088% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58   9.87 +/- 0.78   0.054% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.20 +/- 2.38   0.013% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.91 +/- 2.24   0.004% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.26 +/- 2.18   0.031% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.50 +/- 3.34   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.91 +/- 1.98   0.003% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  18.83 +/- 2.03   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.76 +/- 2.71   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.86 +/- 0.98   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.98 +/- 1.86   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.02 +/- 3.42   0.001% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.75 +/- 2.55   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.89 +/- 2.85   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.76 +/- 1.62   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  23.01 +/- 2.35   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.50 +/- 2.18   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.93 +/- 2.11   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.04 +/- 2.65   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.49 +/- 2.78   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.24 +/- 1.44   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.43 +/- 1.88   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.35 +/- 2.31   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.982, support = 5.96, residual support = 222.8:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.088% * 86.8129% (1.00  10.0 10.00   6.00 224.35) =  97.947%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.40 +/- 0.23  14.274% * 10.8440% (0.12  10.0 10.00   4.27 146.85) =   2.053%  kept
          HG2   MET   92 - HG3   PRO   52   6.47 +/- 2.60   0.630% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.01 +/- 1.22   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  10.70 +/- 1.81   0.003% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.35 +/- 2.13   0.002% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.61 +/- 1.09   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.88 +/- 3.01   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  17.20 +/- 2.17   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.54 +/- 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  32.23 +/- 2.01   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.81 +/- 2.43   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.37 +/- 1.89   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.22 +/- 1.82   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 = 6.5, residual support = 224.3:
    * O T HD2   PRO   52 - HG3   PRO   52   2.58 +/- 0.28  99.902% * 96.1754% (1.00  10.0 10.00   6.50 224.35) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.74 +/- 0.86   0.010% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.52 +/- 1.19   0.053% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.89 +/- 0.40   0.008% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  15.71 +/- 1.94   0.005% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.89 +/- 2.08   0.003% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.73 +/- 1.71   0.011% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.55 +/- 0.93   0.005% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.99 +/- 1.95   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.64 +/- 1.44   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.90 +/- 0.77   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.03 +/- 2.78   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.94 +/- 2.22   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.72 +/- 2.27   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.50 +/- 2.33   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.82 +/- 1.43   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.24 +/- 2.09   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  25.52 +/- 1.50   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.11 +/- 1.39   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.47 +/- 2.22   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.92 +/- 1.17   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.23 +/- 2.68   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  26.08 +/- 2.30   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.73 +/- 1.43   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.3:
    * O T HB2   CYS   53 - HA    CYS   53   2.96 +/- 0.12  98.103% * 99.5207% (1.00  10.0 10.00   2.96  44.27) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.27 +/- 0.05   1.111% *  0.0684% (0.69   1.0  1.00   0.02  54.59) =   0.001%
          HD2   PRO   58 - HA    CYS   53   7.01 +/- 0.98   0.783% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.14 +/- 1.45   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  19.14 +/- 1.27   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.75 +/- 0.82   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.99 +/- 1.40   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 44.3:
    * O T HB3   CYS   53 - HA    CYS   53   2.60 +/- 0.16  89.164% * 99.5685% (1.00  10.0 10.00   3.30  44.27) =  99.989%  kept
          HD3   PRO   93 - HA    CYS   53   5.04 +/- 1.73   6.671% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.007%
          QB    PHE   55 - HA    CYS   53   4.53 +/- 0.46   3.889% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HA    CYS   53   7.85 +/- 0.37   0.133% *  0.0987% (0.99   1.0  1.00   0.02  31.88) =   0.000%
          HB2   PHE   59 - HA    CYS   53   8.09 +/- 1.05   0.142% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.98 +/- 1.47   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.3:
    * O T HA    CYS   53 - HB2   CYS   53   2.96 +/- 0.12  99.989% * 98.9901% (1.00  10.0 10.00   2.96  44.27) = 100.000%  kept
        T HA    SER   82 - HB2   CYS   53  19.12 +/- 2.20   0.002% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  22.84 +/- 1.42   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.88 +/- 1.37   0.002% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.04 +/- 1.60   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.62 +/- 0.98   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 44.3:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.658% * 99.5685% (1.00  10.0 10.00   3.36  44.27) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   5.94 +/- 1.44   0.262% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.25 +/- 0.29   0.051% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   6.98 +/- 0.46   0.027% *  0.0987% (0.99   1.0  1.00   0.02  31.88) =   0.000%
          HB2   PHE   59 - HB2   CYS   53  10.32 +/- 1.08   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  22.41 +/- 1.68   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 = 3.3, residual support = 44.3:
    * O T HA    CYS   53 - HB3   CYS   53   2.60 +/- 0.16  99.994% * 99.7562% (1.00  10.0 10.00   3.30  44.27) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.71 +/- 1.30   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.31 +/- 1.87   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.34 +/- 1.55   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.72 +/- 1.80   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.21 +/- 1.11   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 44.3:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.906% * 99.6975% (1.00  10.0 10.00   3.36  44.27) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.90 +/- 0.67   0.084% *  0.0685% (0.69   1.0  1.00   0.02  54.59) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.64 +/- 1.03   0.009% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.64 +/- 1.41   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.13 +/- 0.87   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.44 +/- 1.62   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.27 +/- 1.37   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 = 4.72, residual support = 159.0:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.76 +/- 0.06  94.252% * 98.6035% (1.00  10.0 10.00   4.72 159.00) =  99.998%  kept
          HB    ILE  119 - HA    LEU  115   4.82 +/- 0.98   5.181% *  0.0263% (0.27   1.0  1.00   0.02   9.23) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   9.04 +/- 1.87   0.154% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.07 +/- 2.66   0.272% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.78 +/- 0.91   0.123% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.47 +/- 1.00   0.005% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  15.36 +/- 1.86   0.005% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  14.96 +/- 1.20   0.004% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  25.56 +/- 2.51   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.08 +/- 2.00   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.73 +/- 2.16   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.44 +/- 1.25   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.12 +/- 2.16   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.07 +/- 1.22   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.78 +/- 1.95   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.74 +/- 1.72   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.96 +/- 3.08   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.95 +/- 0.97   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  31.23 +/- 2.37   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  33.48 +/- 1.90   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 159.0:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.46 +/- 0.49  98.235% * 96.1276% (1.00  10.0 10.00   4.74 159.00) =  99.999%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.63 +/- 0.30   0.215% *  0.3608% (0.38   1.0 10.00   0.02   1.75) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.71 +/- 0.60   0.859% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  17.87 +/- 2.78   0.006% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.29 +/- 1.08   0.335% *  0.0122% (0.13   1.0  1.00   0.02   0.34) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.27 +/- 0.75   0.155% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  11.41 +/- 2.17   0.034% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   9.23 +/- 1.51   0.114% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.91 +/- 1.27   0.007% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.33 +/- 2.54   0.005% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.77 +/- 1.56   0.002% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  15.99 +/- 1.27   0.003% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.51 +/- 1.52   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.92 +/- 1.05   0.020% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  16.01 +/- 1.72   0.003% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  22.90 +/- 1.78   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.58 +/- 1.44   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.05 +/- 1.81   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.11 +/- 1.90   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  20.25 +/- 1.85   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  20.43 +/- 1.85   0.000% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  16.13 +/- 1.98   0.003% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.54 +/- 1.21   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.06 +/- 2.07   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.30 +/- 2.25   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.38 +/- 1.22   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.30 +/- 1.75   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.71 +/- 1.62   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.41, residual support = 150.3:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.79 +/- 0.70  62.780% * 73.7211% (1.00 10.00   4.44 159.00) =  93.745%  kept
          HB3   CYS   53 - HA    ARG+  54   5.19 +/- 0.51  12.540% * 14.0822% (0.99  1.00   3.85  31.88) =   3.577%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.08  11.273% * 11.7084% (0.80  1.00   3.97   3.12) =   2.674%  kept
          HB2   PHE   59 - HA    LEU  115   5.75 +/- 1.16  11.782% *  0.0119% (0.16  1.00   0.02  27.41) =   0.003%
          HD3   PRO   93 - HA    ARG+  54   9.04 +/- 1.42   0.597% *  0.0661% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   9.49 +/- 1.22   0.328% *  0.0388% (0.53  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   9.09 +/- 1.25   0.524% *  0.0182% (0.25  1.00   0.02   5.62) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.98 +/- 1.36   0.012% *  0.2268% (0.31 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  11.63 +/- 1.80   0.090% *  0.0203% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.35 +/- 1.30   0.057% *  0.0225% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.73 +/- 1.20   0.015% *  0.0197% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.81 +/- 1.68   0.002% *  0.0639% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 159.0:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.76 +/- 0.06  99.968% * 98.5625% (1.00  10.0 10.00   4.72 159.00) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.47 +/- 1.00   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.41 +/- 3.37   0.003% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.41 +/- 1.70   0.010% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.02 +/- 1.07   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  25.56 +/- 2.51   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.12 +/- 2.16   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.88 +/- 1.81   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.75 +/- 1.59   0.002% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.13 +/- 1.60   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.05 +/- 4.07   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  19.67 +/- 4.87   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.94 +/- 2.33   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  24.02 +/- 4.56   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.96 +/- 3.08   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  23.94 +/- 4.51   0.001% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.72 +/- 1.73   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  33.48 +/- 1.90   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.69 +/- 2.98   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.73 +/- 2.95   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.66 +/- 2.72   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  29.91 +/- 5.40   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  36.05 +/- 1.77   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.77 +/- 4.71   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  34.03 +/- 4.49   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.21 +/- 2.32   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.36 +/- 2.15   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 159.0:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.46 +/- 0.46  96.074% * 97.3460% (1.00  10.0 10.00   4.80 159.00) =  99.996%  kept
          QB    PHE   55 - HB2   ARG+  54   4.72 +/- 0.33   3.125% *  0.0779% (0.80   1.0  1.00   0.02   3.12) =   0.003%
          HB3   CYS   53 - HB2   ARG+  54   6.73 +/- 0.72   0.714% *  0.0965% (0.99   1.0  1.00   0.02  31.88) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54  10.01 +/- 1.54   0.062% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  11.21 +/- 1.08   0.016% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.15 +/- 1.53   0.006% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.84 +/- 1.66   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.16 +/- 2.07   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.14 +/- 2.86   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  28.04 +/- 3.22   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.06 +/- 2.22   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.22 +/- 2.86   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  36.26 +/- 3.80   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.21 +/- 2.20   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.88 +/- 3.14   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.81 +/- 3.37   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.56 +/- 2.03   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.77 +/- 2.18   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 159.0:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.79 +/- 0.70  99.939% * 99.0328% (1.00 10.00   4.44 159.00) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.98 +/- 1.36   0.025% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  19.88 +/- 3.31   0.022% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.62 +/- 1.34   0.010% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.16 +/- 2.12   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.59 +/- 2.90   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.47 +/- 2.39   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.76 +/- 3.27   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.76 +/- 2.43   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 159.0:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.46 +/- 0.46  99.980% * 97.9068% (1.00  10.0 10.00   4.80 159.00) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.04 +/- 1.56   0.017% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.66 +/- 1.77   0.002% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.08 +/- 2.06   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  26.46 +/- 2.95   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.94 +/- 2.78   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.04 +/- 3.22   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.39 +/- 2.47   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  36.26 +/- 3.80   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  34.34 +/- 2.61   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.66, residual support = 159.0:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.83 +/- 0.16  99.806% * 97.2335% (1.00  10.0 10.00   4.66 159.00) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.19 +/- 0.74   0.098% *  0.3649% (0.38   1.0 10.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  19.04 +/- 3.35   0.004% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.54 +/- 0.78   0.086% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  17.56 +/- 2.47   0.003% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.17 +/- 2.23   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  18.62 +/- 1.34   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.56 +/- 1.66   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.93 +/- 2.57   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.62 +/- 2.46   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.08 +/- 2.13   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.91 +/- 2.77   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.32 +/- 2.38   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.82 +/- 2.13   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 20.3:
    * O T QB    PHE   55 - HA    PHE   55   2.49 +/- 0.09  99.065% * 99.2105% (1.00  10.0 10.00   3.56  20.31) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.86 +/- 0.54   0.702% *  0.0794% (0.80   1.0  1.00   0.02   3.12) =   0.001%
          HB3   CYS   53 - HA    PHE   55   8.06 +/- 0.25   0.089% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    PHE   55   8.41 +/- 0.78   0.078% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55  10.27 +/- 1.85   0.050% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  17.16 +/- 1.13   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.32 +/- 1.88   0.007% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  13.29 +/- 1.00   0.005% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.77 +/- 0.97   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.59 +/- 1.49   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.57 +/- 0.75   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  22.22 +/- 1.89   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 20.3:
    * O T HA    PHE   55 - QB    PHE   55   2.49 +/- 0.09  97.526% * 99.2581% (1.00  10.0 10.00   3.56  20.31) =  99.998%  kept
          HA    ALA  110 - QB    PHE   55   6.88 +/- 3.14   2.469% *  0.0861% (0.87   1.0  1.00   0.02   0.13) =   0.002%
        T HA    VAL   42 - QB    PHE   55  17.16 +/- 1.13   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  14.68 +/- 2.05   0.003% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 123.7:
    * O T HB    ILE   56 - HA    ILE   56   2.54 +/- 0.18  99.162% * 98.8500% (1.00  10.0 10.00   4.48 123.71) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   5.95 +/- 0.40   0.678% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.07 +/- 0.71   0.134% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  12.47 +/- 2.24   0.014% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.19 +/- 1.29   0.007% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  16.18 +/- 1.78   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.81 +/- 2.20   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.84 +/- 1.97   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.51 +/- 1.60   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.72 +/- 1.21   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.05 +/- 1.97   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.10 +/- 1.39   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.79 +/- 1.46   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.7:
    * O   QG2   ILE   56 - HA    ILE   56   2.93 +/- 0.35  99.945% * 98.4757% (1.00  10.0  1.00   4.72 123.71) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.79 +/- 1.73   0.022% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.89 +/- 1.72   0.026% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.29 +/- 1.26   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.25 +/- 1.20   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  30.24 +/- 1.61   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.16 +/- 1.77   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.50 +/- 1.86   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.45 +/- 1.69   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.97 +/- 1.61   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.7:
    * O T QG1   ILE   56 - HA    ILE   56   2.75 +/- 0.48  99.947% * 97.9351% (1.00  10.0 10.00   3.76 123.71) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.52 +/- 1.31   0.006% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  11.25 +/- 2.31   0.041% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.39 +/- 1.93   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  21.16 +/- 1.49   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  18.48 +/- 1.54   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.10 +/- 1.40   0.003% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.11 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 123.7:
    * O T HA    ILE   56 - HB    ILE   56   2.54 +/- 0.18  99.729% * 98.4172% (1.00  10.0 10.00   4.48 123.71) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.59 +/- 0.93   0.232% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56   9.89 +/- 1.25   0.037% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  16.66 +/- 1.72   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  22.10 +/- 1.64   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.51 +/- 1.23   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.48 +/- 1.33   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.92 +/- 1.20   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.75 +/- 1.81   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 123.7:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.990% * 98.4757% (1.00  10.0 10.00   5.55 123.71) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  11.51 +/- 2.15   0.006% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.50 +/- 1.69   0.003% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.62 +/- 0.98   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.01 +/- 1.06   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.57 +/- 1.45   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.61 +/- 1.84   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.69 +/- 1.52   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.45 +/- 1.51   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.58 +/- 1.40   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 123.7:
    * O T QG1   ILE   56 - HB    ILE   56   2.30 +/- 0.14  99.900% * 98.7886% (1.00  10.0 10.00   4.50 123.71) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.20 +/- 1.30   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   9.53 +/- 2.78   0.094% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.49 +/- 1.28   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.93 +/- 1.95   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.44 +/- 1.27   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.55 +/- 1.61   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 123.7:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.720% * 98.4311% (1.00  10.0 10.00   5.55 123.71) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.72 +/- 0.76   0.124% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   8.26 +/- 1.94   0.056% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.06 +/- 0.48   0.078% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.58 +/- 1.12   0.015% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  13.49 +/- 2.32   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.68 +/- 1.09   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.53 +/- 2.10   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  23.05 +/- 1.12   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.35 +/- 1.68   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.84 +/- 1.64   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.93 +/- 1.18   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.06 +/- 1.24   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.7:
    * O T QG1   ILE   56 - QG2   ILE   56   2.22 +/- 0.22  99.791% * 98.7886% (1.00  10.0 10.00   4.72 123.71) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.80 +/- 1.15   0.009% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   7.23 +/- 2.04   0.193% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.92 +/- 0.97   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  13.02 +/- 1.76   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  12.83 +/- 1.64   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.67 +/- 1.37   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.7:
    * O T HA    ILE   56 - QG1   ILE   56   2.75 +/- 0.48  98.569% * 98.1263% (1.00  10.0 10.00   3.76 123.71) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.99 +/- 1.10   0.135% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.09 +/- 0.84   1.279% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  18.26 +/- 1.73   0.002% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.89 +/- 0.60   0.009% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.68 +/- 1.15   0.002% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.71 +/- 1.06   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.42 +/- 1.21   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.36 +/- 1.47   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 123.7:
    * O T HB    ILE   56 - QG1   ILE   56   2.30 +/- 0.14  99.526% * 98.6066% (1.00  10.0 10.00   4.50 123.71) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.67 +/- 1.25   0.029% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   6.63 +/- 0.93   0.343% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.42 +/- 1.13   0.059% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.77 +/- 2.20   0.034% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  12.39 +/- 1.40   0.006% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.68 +/- 2.27   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.58 +/- 1.90   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.11 +/- 1.45   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.35 +/- 1.73   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.63 +/- 1.16   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.79 +/- 1.18   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.57 +/- 1.10   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.7:
    * O T QG2   ILE   56 - QG1   ILE   56   2.22 +/- 0.22  99.965% * 98.4757% (1.00  10.0 10.00   4.72 123.71) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56  10.31 +/- 1.78   0.013% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.12 +/- 1.66   0.018% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.27 +/- 1.00   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.64 +/- 0.91   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.86 +/- 1.26   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.70 +/- 1.51   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.78 +/- 1.71   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  15.98 +/- 1.43   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.82 +/- 1.23   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 6.53, residual support = 141.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  36.196% * 97.5352% (0.95  10.0 10.00   6.70 146.85) =  96.622%  kept
          HA    ILE   56 - HD2   PRO   58   3.41 +/- 0.49  63.683% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   3.378%  kept
          HA    THR   46 - HD2   PRO   58  10.90 +/- 1.64   0.100% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.66 +/- 0.85   0.012% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  16.72 +/- 1.41   0.006% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.04 +/- 0.96   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.96 +/- 1.42   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.83 +/- 1.27   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  24.00 +/- 1.93   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.83 +/- 1.28   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  29.23 +/- 1.45   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 146.8:
    * O T HB2   PRO   58 - HD2   PRO   58   4.04 +/- 0.21  99.468% * 99.3830% (0.95  10.0 10.00   6.93 146.85) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.18 +/- 1.12   0.295% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.55 +/- 1.12   0.220% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.16 +/- 2.02   0.015% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.46 +/- 1.80   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  28.64 +/- 2.00   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.9, residual support = 145.4:
    * O T HB3   PRO   58 - HD2   PRO   58   3.62 +/- 0.21  83.214% * 91.9647% (0.79  10.0 10.00   6.95 146.85) =  99.037%  kept
          HB    ILE   56 - HD2   PRO   58   5.26 +/- 0.75  13.324% *  5.5829% (0.79   1.0  1.00   1.21   0.02) =   0.963%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.60 +/- 1.45   3.373% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  14.57 +/- 2.33   0.056% *  0.1063% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.45 +/- 1.46   0.002% *  1.1010% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.21 +/- 1.22   0.018% *  0.0453% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  29.31 +/- 1.39   0.000% *  1.0415% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.04 +/- 2.01   0.003% *  0.0413% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  18.11 +/- 1.45   0.006% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.23 +/- 1.96   0.003% *  0.0340% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.86 +/- 1.42   0.001% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.43 +/- 1.66   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.12 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.8:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.878% * 98.7160% (0.95  10.0 10.00   6.62 146.85) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.37 +/- 1.09   0.037% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58  10.31 +/- 1.93   0.082% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  23.17 +/- 1.96   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.65 +/- 1.02   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.43 +/- 2.63   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.58 +/- 1.88   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.15 +/- 1.34   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 146.8:
    * O T HB2   PRO   58 - HA    PRO   58   2.67 +/- 0.15  99.973% * 99.2784% (1.00  10.0 10.00   6.27 146.85) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  11.78 +/- 1.44   0.020% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.87 +/- 1.86   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.47 +/- 1.05   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.62 +/- 1.70   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  27.76 +/- 1.73   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 = 6.18, residual support = 146.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.37 +/- 0.15  99.825% * 98.4544% (0.84  10.0 10.00   6.18 146.85) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.59 +/- 0.93   0.141% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.55 +/- 1.48   0.028% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.68 +/- 2.17   0.002% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.25 +/- 0.91   0.002% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.64 +/- 1.48   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.22 +/- 1.33   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  21.93 +/- 1.61   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.76 +/- 1.56   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  26.87 +/- 1.39   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.32 +/- 1.67   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  28.20 +/- 1.68   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.8:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.688% * 98.7160% (1.00  10.0 10.00   5.98 146.85) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.26 +/- 1.41   0.064% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    PRO   58  11.67 +/- 1.62   0.210% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.19 +/- 1.12   0.025% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.04 +/- 1.99   0.008% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.39 +/- 1.78   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  23.09 +/- 2.29   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.50 +/- 1.35   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 146.8:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.729% * 98.5403% (0.95  10.0 10.00   6.70 146.85) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.76 +/- 1.45   0.267% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.93 +/- 2.14   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  26.11 +/- 1.33   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  24.75 +/- 1.39   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 146.8:
    * O T HA    PRO   58 - HB2   PRO   58   2.67 +/- 0.15  98.746% * 99.4356% (1.00  10.0 10.00   6.27 146.85) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.73 +/- 0.47   1.228% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.61 +/- 1.42   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.12 +/- 0.94   0.008% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  13.63 +/- 2.25   0.010% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.44 +/- 0.96   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.78 +/- 1.43   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.24 +/- 1.28   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.88 +/- 1.96   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.43 +/- 1.28   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  28.40 +/- 1.41   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.8:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.963% * 98.9371% (0.84  10.0 10.00   4.47 146.85) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.41 +/- 1.04   0.033% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.29 +/- 1.90   0.003% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.21 +/- 2.15   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.46 +/- 1.28   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.50 +/- 1.81   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.08 +/- 2.05   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.51 +/- 1.43   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.29 +/- 1.83   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.85 +/- 1.43   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.31 +/- 1.57   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  29.89 +/- 1.68   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 146.8:
    * O T HG2   PRO   58 - HB2   PRO   58   2.40 +/- 0.23  99.989% * 98.7160% (1.00  10.0 10.00   4.27 146.85) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.61 +/- 1.09   0.003% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  12.60 +/- 1.74   0.007% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.96 +/- 0.95   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  21.88 +/- 2.03   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.10 +/- 1.68   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  25.04 +/- 2.45   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.08 +/- 1.35   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 146.8:
    * O T HD2   PRO   58 - HB2   PRO   58   4.04 +/- 0.21  99.809% * 98.5403% (0.95  10.0 10.00   6.93 146.85) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.79 +/- 1.25   0.187% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.79 +/- 2.07   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  27.24 +/- 1.33   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.36 +/- 1.23   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.16 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.18, residual support = 146.8:
    * O T HA    PRO   58 - HB3   PRO   58   2.37 +/- 0.15  99.499% * 99.1888% (0.84  10.0 10.00   6.18 146.85) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.95 +/- 0.40   0.490% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  13.21 +/- 0.95   0.004% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  13.72 +/- 1.35   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  14.70 +/- 1.74   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.70 +/- 1.00   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  22.63 +/- 1.50   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.30 +/- 1.31   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.81 +/- 2.01   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  29.07 +/- 1.39   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  29.12 +/- 1.52   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.8:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.997% * 99.1367% (0.84  10.0 10.00   4.47 146.85) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.04 +/- 1.79   0.003% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.30 +/- 2.07   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.90 +/- 1.08   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.28 +/- 1.82   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  29.98 +/- 1.67   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.19, residual support = 146.8:
    * O T HG2   PRO   58 - HB3   PRO   58   2.86 +/- 0.23  99.973% * 97.0168% (0.84  10.0 10.00   4.19 146.85) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.67 +/- 1.15   0.007% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  21.96 +/- 2.05   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.92 +/- 1.79   0.017% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  30.11 +/- 1.77   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.54 +/- 1.09   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.21 +/- 2.30   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.50 +/- 1.32   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.47 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.95, residual support = 146.8:
    * O T HD2   PRO   58 - HB3   PRO   58   3.62 +/- 0.21  99.869% * 98.5403% (0.79  10.0 10.00   6.95 146.85) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.60 +/- 1.23   0.129% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.71 +/- 2.20   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  28.02 +/- 1.43   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.60 +/- 1.12   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.996, support = 5.95, residual support = 146.1:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  36.612% * 97.9061% (1.00  10.0 10.00   5.98 146.85) =  99.460%  kept
          HA    ILE   56 - HG2   PRO   58   3.69 +/- 0.41  59.641% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.534%  kept
          HA    THR   46 - HG3   PRO   52   7.92 +/- 2.09   3.430% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.005%
        T HA    PRO   58 - HG3   PRO   52  14.26 +/- 1.41   0.024% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG3   PRO   52   9.85 +/- 0.97   0.202% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.73 +/- 1.51   0.045% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  14.52 +/- 1.81   0.021% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.84 +/- 0.78   0.014% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.11 +/- 0.87   0.002% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.47 +/- 1.53   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.23 +/- 2.28   0.002% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.75 +/- 2.91   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.04 +/- 1.21   0.000% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.59 +/- 2.46   0.001% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.09 +/- 1.89   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.38 +/- 2.05   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.48 +/- 2.84   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.60 +/- 1.31   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.12 +/- 2.61   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  29.16 +/- 1.48   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.59 +/- 2.75   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.08 +/- 2.94   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 0.01 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 5.01, residual support = 179.9:
    * O T HB2   PRO   58 - HG2   PRO   58   2.40 +/- 0.23  14.372% * 87.8577% (1.00  10.0 10.00   4.27 146.85) =  57.335%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.617% * 10.9746% (0.12  10.0 10.00   6.00 224.35) =  42.665%  kept
          HB2   GLN  116 - HG2   PRO   58   9.00 +/- 1.49   0.009% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.61 +/- 1.09   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.01 +/- 1.22   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  15.34 +/- 2.46   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.37 +/- 2.21   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.03 +/- 2.56   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.79 +/- 1.88   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.11 +/- 3.12   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.37 +/- 1.89   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.22 +/- 1.82   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.19, residual support = 146.8:
    * O T HB3   PRO   58 - HG2   PRO   58   2.86 +/- 0.23  93.252% * 96.9979% (0.84  10.0 10.00   4.19 146.85) =  99.993%  kept
          HB    ILE   56 - HG2   PRO   58   5.55 +/- 0.88   4.830% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HG3   PRO   52   7.19 +/- 1.78   1.237% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   PRO   52   8.62 +/- 1.81   0.322% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.67 +/- 1.15   0.007% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.49 +/- 0.52   0.164% *  0.0145% (0.12   1.0  1.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.91 +/- 2.24   0.006% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.01 +/- 2.57   0.036% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.03 +/- 1.54   0.078% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.26 +/- 2.18   0.047% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.68 +/- 2.30   0.006% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  14.85 +/- 1.42   0.007% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.98 +/- 1.86   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.91 +/- 1.98   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.21 +/- 1.35   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.01 +/- 2.50   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.76 +/- 2.71   0.002% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.93 +/- 2.11   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  31.70 +/- 1.62   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.76 +/- 1.51   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.24 +/- 1.44   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.42 +/- 2.89   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.35 +/- 2.31   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.82 +/- 3.61   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 0.44 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.8:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  97.879% * 98.7117% (0.95  10.0 10.00   6.62 146.85) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   5.88 +/- 0.72   2.030% *  0.0288% (0.28   1.0  1.00   0.02  54.59) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  11.37 +/- 1.09   0.037% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.50 +/- 0.88   0.052% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.06 +/- 2.02   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.86 +/- 1.02   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.36 +/- 2.14   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.54 +/- 2.80   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  28.09 +/- 1.43   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.04 +/- 2.90   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 58.8:
    * O T HB2   PHE   59 - HA    PHE   59   2.82 +/- 0.30  99.822% * 99.6348% (1.00  10.0 10.00   3.31  58.77) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.26 +/- 0.68   0.109% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.07 +/- 0.99   0.022% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  12.03 +/- 0.69   0.022% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.43 +/- 1.75   0.014% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.97 +/- 1.52   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HB3   PHE   59 - HA    PHE   59   2.74 +/- 0.23  99.999% * 99.9552% (1.00  10.0 10.00   3.99  58.77) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.14 +/- 0.77   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 58.8:
    * O T HA    PHE   59 - HB2   PHE   59   2.82 +/- 0.30  99.934% * 99.8386% (1.00  10.0 10.00   3.31  58.77) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.76 +/- 1.23   0.063% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  22.72 +/- 2.66   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.43 +/- 2.36   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  25.44 +/- 1.75   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 58.8:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.77) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.19 +/- 1.10   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HA    PHE   59 - HB3   PHE   59   2.74 +/- 0.23  99.928% * 99.8386% (1.00  10.0 10.00   3.99  58.77) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.46 +/- 0.76   0.071% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  22.87 +/- 2.52   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.60 +/- 1.89   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.70 +/- 1.58   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.8:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.968% * 99.6348% (1.00  10.0 10.00   3.44  58.77) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.30 +/- 0.88   0.025% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.16 +/- 0.96   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  11.27 +/- 1.77   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.54 +/- 1.57   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.25 +/- 1.02   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HA    PHE   60   2.97 +/- 0.13  99.998% * 99.9010% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  19.37 +/- 3.37   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HA    PHE   60   2.52 +/- 0.24  99.974% * 99.7797% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.52 +/- 1.18   0.014% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  12.99 +/- 1.33   0.008% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.77 +/- 1.79   0.004% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.61 +/- 1.68   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB2   PHE   60   2.97 +/- 0.13  99.899% * 99.8400% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  11.36 +/- 1.42   0.044% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  12.95 +/- 0.93   0.016% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.99 +/- 1.14   0.016% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  12.90 +/- 1.47   0.021% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.16 +/- 0.93   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.58 +/- 1.45   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.86 +/- 1.68   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.17 +/- 1.80   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.44 +/- 2.01   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB3   PHE   60   2.52 +/- 0.24  99.949% * 99.8400% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.59 +/- 1.68   0.028% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.87 +/- 1.25   0.007% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.44 +/- 1.50   0.007% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  12.93 +/- 1.61   0.008% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.91 +/- 1.37   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  72.02) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  18.71 +/- 3.08   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.01  99.853% * 98.4786% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
        T QB    ALA  110 - HA    ALA   61  13.14 +/- 3.01   0.019% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA   61   7.85 +/- 1.05   0.056% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.53 +/- 0.75   0.014% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   8.87 +/- 1.40   0.036% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  10.56 +/- 0.98   0.008% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.40 +/- 1.25   0.006% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.16 +/- 1.00   0.006% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  18.05 +/- 2.25   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.14 +/- 1.23   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.09 +/- 1.82   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.21 +/- 2.13   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.44 +/- 1.83   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.01  99.639% * 98.9510% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
        T HA    ALA   61 - QB    ALA  110  13.14 +/- 3.01   0.019% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   61   6.04 +/- 0.48   0.223% *  0.0444% (0.45   1.0  1.00   0.02   0.75) =   0.000%
          HD3   PRO   58 - QB    ALA  110   8.44 +/- 3.01   0.103% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.50 +/- 0.80   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  11.60 +/- 1.20   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.54 +/- 2.75   0.001% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.87 +/- 2.63   0.002% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  15.87 +/- 1.43   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.74 +/- 2.34   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   2.74 +/- 0.20  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.58 +/- 1.39   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.91 +/- 0.20  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.44 +/- 1.11   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  26.25 +/- 2.39   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  25.65 +/- 1.55   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  27.46 +/- 1.76   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.74 +/- 0.20  99.982% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.24 +/- 1.36   0.017% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  22.39 +/- 1.02   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.72 +/- 0.96   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.78 +/- 1.20   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.65 +/- 2.26   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  27.27 +/- 1.44   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  26.95 +/- 1.40   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.91 +/- 0.20  99.972% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.18 +/- 1.36   0.028% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  21.98 +/- 1.06   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  28.19 +/- 0.69   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.4370% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.46 +/- 1.45   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 = 242.4:
    * O T HB2   LEU   63 - HA    LEU   63   2.94 +/- 0.05  99.812% * 99.1997% (1.00  10.0 10.00   6.28 242.39) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63   9.97 +/- 1.19   0.082% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.95 +/- 1.87   0.055% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.19 +/- 2.08   0.017% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.84 +/- 2.32   0.009% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  16.89 +/- 2.07   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.19 +/- 1.73   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.10 +/- 2.00   0.011% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.53 +/- 1.44   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  19.88 +/- 1.22   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  22.51 +/- 1.84   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  21.12 +/- 1.58   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  22.60 +/- 1.71   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 = 242.4:
    * O T HB3   LEU   63 - HA    LEU   63   2.65 +/- 0.16  95.861% * 99.7424% (1.00  10.0 10.00   5.98 242.39) =  99.998%  kept
          QD1   LEU  123 - HA    LEU   63   6.96 +/- 2.20   2.904% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.23 +/- 1.13   1.079% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   8.92 +/- 0.95   0.088% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  13.55 +/- 2.42   0.046% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.32 +/- 1.17   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HG    LEU   63 - HA    LEU   63   2.63 +/- 0.32  99.675% * 99.8120% (1.00  10.0 10.00   5.98 242.39) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   7.89 +/- 1.21   0.316% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  13.80 +/- 1.87   0.008% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.19 +/- 1.50   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.613, support = 5.68, residual support = 242.4:
        T QD2   LEU   63 - HA    LEU   63   2.34 +/- 0.33  93.221% * 35.7505% (0.57 10.00   5.69 242.39) =  89.222%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.80 +/- 0.11   6.375% * 63.1462% (1.00 10.00   5.63 242.39) =  10.777%  kept
          QD2   LEU  115 - HA    LEU   63   7.25 +/- 1.43   0.355% *  0.0527% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  11.34 +/- 2.26   0.043% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.39 +/- 0.56   0.005% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.39 +/- 1.54   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.55 +/- 2.26   0.000% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 5.69, residual support = 242.4:
    *   T QD2   LEU   63 - HA    LEU   63   2.34 +/- 0.33  93.247% * 63.5438% (1.00 10.00   5.69 242.39) =  96.271%  kept
        T QD1   LEU   63 - HA    LEU   63   3.80 +/- 0.11   6.379% * 35.9756% (0.57 10.00   5.63 242.39) =   3.728%  kept
          QD2   LEU  115 - HA    LEU   63   7.25 +/- 1.43   0.355% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.39 +/- 0.56   0.005% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.99 +/- 1.64   0.008% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.70 +/- 0.92   0.005% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.11 +/- 1.83   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.39 +/- 1.54   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.4:
    * O T HA    LEU   63 - HB2   LEU   63   2.94 +/- 0.05  99.998% * 99.2046% (1.00  10.0 10.00   6.28 242.39) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.23 +/- 1.06   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  20.20 +/- 1.30   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.883% * 99.7424% (1.00  10.0 10.00   6.31 242.39) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   63   6.99 +/- 1.20   0.047% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   7.32 +/- 1.04   0.032% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  12.06 +/- 2.28   0.015% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   8.58 +/- 1.85   0.020% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.88 +/- 1.09   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HG    LEU   63 - HB2   LEU   63   2.62 +/- 0.18  99.523% * 99.8120% (1.00  10.0 10.00   6.31 242.39) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.05 +/- 0.99   0.459% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.83 +/- 2.11   0.017% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.30 +/- 1.64   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 6.18, residual support = 242.4:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.16  86.644% * 63.1462% (1.00  10.0 10.00   6.18 242.39) =  92.176%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.11 +/- 0.19  12.989% * 35.7505% (0.57  10.0 10.00   6.20 242.39) =   7.823%  kept
          QD2   LEU  115 - HB2   LEU   63   6.76 +/- 1.08   0.349% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.99 +/- 0.68   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.56 +/- 1.77   0.010% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.34 +/- 1.45   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.52 +/- 2.07   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 = 0.657, support = 6.18, residual support = 242.4:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.16  86.643% * 35.9756% (0.57  10.0 10.00   6.18 242.39) =  79.064%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.11 +/- 0.19  12.989% * 63.5438% (1.00  10.0 10.00   6.20 242.39) =  20.935%  kept
          QD2   LEU  115 - HB2   LEU   63   6.76 +/- 1.08   0.349% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.99 +/- 0.68   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.70 +/- 0.93   0.005% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.04 +/- 1.55   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.01 +/- 1.80   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.34 +/- 1.45   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 = 242.4:
    * O T HA    LEU   63 - HB3   LEU   63   2.65 +/- 0.16  99.999% * 99.8862% (1.00  10.0 10.00   5.98 242.39) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.54 +/- 1.24   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.97 +/- 1.40   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 = 242.4:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.975% * 99.1997% (1.00  10.0 10.00   6.31 242.39) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.90 +/- 1.38   0.018% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  12.11 +/- 2.10   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.69 +/- 2.09   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.93 +/- 2.32   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.26 +/- 2.37   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  15.05 +/- 1.56   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.59 +/- 1.59   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.42 +/- 1.71   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.15 +/- 1.50   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.35 +/- 2.09   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.87 +/- 1.55   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  20.89 +/- 1.89   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.4:
    * O T HG    LEU   63 - HB3   LEU   63   2.94 +/- 0.19  98.830% * 99.8120% (1.00  10.0 10.00   6.00 242.39) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.15 +/- 1.16   1.153% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.87 +/- 1.96   0.013% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.29 +/- 1.75   0.004% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.805, support = 5.88, residual support = 242.4:
    * O T QD1   LEU   63 - HB3   LEU   63   2.52 +/- 0.17  40.992% * 63.1462% (1.00  10.0 10.00   5.88 242.39) =  55.153%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.32  58.873% * 35.7505% (0.57  10.0 10.00   5.89 242.39) =  44.846%  kept
        T QD1   LEU  104 - HB3   LEU   63  10.45 +/- 1.87   0.019% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.48 +/- 1.12   0.109% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.62 +/- 0.94   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.61 +/- 1.72   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.67 +/- 2.41   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.877, support = 5.89, residual support = 242.4:
    * O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.32  58.878% * 63.5438% (1.00  10.0 10.00   5.89 242.39) =  71.728%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.52 +/- 0.17  40.992% * 35.9756% (0.57  10.0 10.00   5.88 242.39) =  28.272%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.62 +/- 0.94   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.48 +/- 1.12   0.108% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.98 +/- 1.11   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.29 +/- 1.70   0.007% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.43 +/- 2.01   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.61 +/- 1.72   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HA    LEU   63 - HG    LEU   63   2.63 +/- 0.32  99.999% * 99.8862% (1.00  10.0 10.00   5.98 242.39) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  22.20 +/- 1.67   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.42 +/- 1.70   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HB2   LEU   63 - HG    LEU   63   2.62 +/- 0.18  99.778% * 99.1997% (1.00  10.0 10.00   6.31 242.39) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.80 +/- 1.92   0.155% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.96 +/- 2.19   0.019% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.40 +/- 2.58   0.024% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.29 +/- 2.32   0.005% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.87 +/- 2.29   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.81 +/- 2.04   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.49 +/- 1.65   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  18.68 +/- 1.65   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  20.36 +/- 2.04   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  21.49 +/- 2.30   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.76 +/- 1.80   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  21.13 +/- 2.04   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.4:
    * O T HB3   LEU   63 - HG    LEU   63   2.94 +/- 0.19  97.199% * 99.7424% (1.00  10.0 10.00   6.00 242.39) =  99.999%  kept
          QG1   VAL   70 - HG    LEU   63   7.19 +/- 1.13   1.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   7.43 +/- 2.37   1.295% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU   63   9.08 +/- 1.48   0.367% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.06 +/- 2.05   0.101% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  11.89 +/- 1.49   0.038% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.63, residual support = 242.4:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.043% * 63.0834% (1.00  10.0 10.00   5.61 242.39) =  63.871%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.997% * 35.7149% (0.57  10.0 10.00   5.67 242.39) =  36.127%  kept
          QD2   LEU  115 - HG    LEU   63   6.00 +/- 1.89   1.951% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HG    LEU   63  11.21 +/- 2.03   0.006% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.28 +/- 1.32   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  18.72 +/- 2.51   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.70 +/- 1.87   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 = 5.65, residual support = 242.4:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.999% * 63.5438% (1.00  10.0 10.00   5.67 242.39) =  63.829%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.045% * 35.9756% (0.57  10.0 10.00   5.61 242.39) =  36.171%  kept
          QD2   LEU  115 - HG    LEU   63   6.00 +/- 1.89   1.951% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HG    LEU   63  12.28 +/- 1.32   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  12.53 +/- 1.33   0.001% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.51 +/- 1.55   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.42 +/- 2.05   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.70 +/- 1.87   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 242.4:
    *   T HA    LEU   63 - QD1   LEU   63   3.80 +/- 0.11  93.717% * 98.5216% (1.00 10.00   5.63 242.39) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU  104  11.34 +/- 2.26   0.440% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU   73  12.39 +/- 0.56   0.080% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.74 +/- 1.39   5.081% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   73   9.34 +/- 0.79   0.478% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  11.92 +/- 2.05   0.170% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.51 +/- 1.52   0.011% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  16.07 +/- 1.55   0.020% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.24 +/- 1.69   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 242.4:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.16  92.512% * 95.2053% (1.00  10.0 10.00   6.18 242.39) =  99.997%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.73 +/- 1.68   1.315% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU  104   6.17 +/- 1.31   2.503% *  0.0187% (0.20   1.0  1.00   0.02   6.17) =   0.001%
          HB2   LEU   31 - QD1   LEU   73   5.80 +/- 0.65   0.448% *  0.0854% (0.90   1.0  1.00   0.02   3.36) =   0.000%
          HG2   LYS+  99 - QD1   LEU  104   4.86 +/- 1.90   2.470% *  0.0132% (0.14   1.0  1.00   0.02  16.88) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   9.97 +/- 2.21   0.020% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.85 +/- 1.04   0.098% *  0.0933% (0.98   1.0  1.00   0.02   6.49) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.00 +/- 1.39   0.101% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.99 +/- 0.68   0.007% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.05 +/- 2.01   0.091% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.56 +/- 1.77   0.010% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.65 +/- 2.17   0.023% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.94 +/- 1.78   0.011% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.02 +/- 1.10   0.266% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.48 +/- 2.08   0.011% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  16.33 +/- 2.02   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.21 +/- 4.11   0.025% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.21 +/- 1.33   0.007% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.35 +/- 1.50   0.031% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.52 +/- 1.05   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.51 +/- 1.19   0.004% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.97 +/- 0.68   0.004% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.26 +/- 1.48   0.003% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.16 +/- 1.47   0.002% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.45 +/- 1.41   0.004% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.86 +/- 3.17   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.72 +/- 1.90   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  19.51 +/- 3.15   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.95 +/- 1.09   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.07 +/- 1.68   0.004% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.59 +/- 1.17   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.39 +/- 1.75   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.47 +/- 1.86   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.69 +/- 1.39   0.000% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.40 +/- 1.48   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  16.13 +/- 1.75   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.87 +/- 2.55   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.39 +/- 2.43   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  17.88 +/- 2.85   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 242.4:
    * O T HB3   LEU   63 - QD1   LEU   63   2.52 +/- 0.17  80.365% * 98.2083% (1.00  10.0 10.00   5.88 242.39) =  99.992%  kept
          QD1   LEU   71 - QD1   LEU   73   4.26 +/- 1.26  12.060% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - QD1   LEU   63   7.08 +/- 1.30   0.945% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.25 +/- 1.58   4.219% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.22 +/- 0.91   0.553% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   8.80 +/- 1.61   0.435% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   7.11 +/- 1.73   0.752% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.36 +/- 0.50   0.359% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.62 +/- 0.94   0.016% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.45 +/- 1.87   0.038% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.52 +/- 0.50   0.064% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.44 +/- 1.85   0.029% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.48 +/- 1.31   0.037% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.81 +/- 1.06   0.061% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.25 +/- 3.33   0.050% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  11.85 +/- 0.98   0.009% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.83 +/- 1.53   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.75 +/- 2.14   0.003% *  0.0335% (0.34   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 = 5.61, residual support = 242.4:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  92.594% * 98.0591% (1.00  10.0 10.00   5.61 242.39) =  99.988%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.26 +/- 1.25   7.193% *  0.1513% (0.15   1.0 10.00   0.02   0.40) =   0.012%
          QG2   VAL   24 - QD1   LEU   73   6.69 +/- 0.82   0.142% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.28 +/- 1.32   0.003% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.21 +/- 2.03   0.012% *  0.2400% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.70 +/- 1.72   0.021% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.60 +/- 1.00   0.028% *  0.0370% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.39 +/- 1.01   0.004% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  14.17 +/- 1.79   0.002% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  14.89 +/- 1.84   0.002% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.32 +/- 2.22   0.000% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.96 +/- 1.28   0.000% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 242.4:
    *   T HA    LEU   63 - QD2   LEU   63   2.34 +/- 0.33  99.998% * 99.8862% (1.00 10.00   5.69 242.39) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  15.67 +/- 1.82   0.002% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.76 +/- 1.15   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 242.4:
    * O T HB2   LEU   63 - QD2   LEU   63   3.11 +/- 0.19  98.096% * 98.3391% (1.00  10.0 10.00   6.20 242.39) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.67 +/- 1.36   1.027% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   9.49 +/- 2.03   0.246% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  10.76 +/- 2.29   0.132% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.19 +/- 1.66   0.131% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.61 +/- 2.13   0.258% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  18.07 +/- 2.01   0.004% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.61 +/- 1.96   0.038% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  12.31 +/- 1.74   0.044% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.21 +/- 1.89   0.007% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  15.83 +/- 1.36   0.007% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.90 +/- 1.84   0.005% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  17.69 +/- 1.74   0.004% *  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 = 5.89, residual support = 242.4:
    * O T HB3   LEU   63 - QD2   LEU   63   2.36 +/- 0.32  94.643% * 99.7424% (1.00  10.0 10.00   5.89 242.39) =  99.997%  kept
          QG1   VAL   70 - QD2   LEU   63   4.96 +/- 1.23   2.438% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU   63   5.94 +/- 2.11   2.645% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   8.04 +/- 1.11   0.137% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63   9.93 +/- 1.82   0.096% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   9.24 +/- 1.40   0.042% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 242.4:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  96.742% * 99.6738% (1.00  10.0 10.00   5.67 242.39) =  99.995%  kept
        T QG1   VAL  107 - QD2   LEU   63   4.97 +/- 1.32   3.245% *  0.1538% (0.15   1.0 10.00   0.02   0.40) =   0.005%
          HG3   LYS+ 112 - QD2   LEU   63  10.84 +/- 1.67   0.012% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  15.33 +/- 1.62   0.001% *  0.0962% (0.97   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 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.66) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.23 +/- 0.89   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.929, support = 2.06, residual support = 22.8:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  74.391% * 72.6945% (1.00  10.0 10.00   2.00  20.66) =  88.558%  kept
        T HB2   PHE   72 - QB    ALA   64   2.69 +/- 0.49  25.609% * 27.2831% (0.38   1.0 10.00   2.56  39.53) =  11.442%  kept
          HB3   ASN   35 - QB    ALA   64  16.85 +/- 0.76   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 = 163.3:
    * O T QB    LYS+  65 - HA    LYS+  65   2.39 +/- 0.07  97.899% * 99.3780% (0.92  10.0 10.00   6.30 163.31) =  99.999%  kept
          HB3   GLN   17 - HA    LYS+  65   6.45 +/- 1.36   1.159% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LYS+  65   5.29 +/- 0.13   0.868% *  0.0563% (0.52   1.0  1.00   0.02  24.90) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  12.33 +/- 0.77   0.006% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.22 +/- 1.68   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.89 +/- 1.98   0.054% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.80 +/- 1.81   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  14.45 +/- 3.42   0.004% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.42 +/- 1.97   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  17.01 +/- 0.94   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  17.39 +/- 2.66   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.30 +/- 4.00   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.45 +/- 1.46   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.07 +/- 2.28   0.000% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.66 +/- 3.17   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.47 +/- 1.76   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.853, support = 5.48, residual support = 174.8:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.44  34.218% * 53.0514% (0.92  10.0 10.00   5.27 163.31) =  91.477%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.63 +/- 0.64  13.684% *  5.9339% (0.10   1.0 10.00   7.63 316.35) =   4.092%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.26  51.728% *  1.4928% (0.03  10.0 10.00   8.15 316.35) =   3.891%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.23 +/- 0.40   0.278% * 38.5232% (0.67   1.0 10.00   5.44  24.90) =   0.540%  kept
        T QD    LYS+  66 - HA    LYS+ 121  10.61 +/- 2.48   0.046% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 2.73   0.003% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.93 +/- 1.23   0.004% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.90 +/- 1.87   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.66   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.10 +/- 0.97   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 1.71   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.70 +/- 3.89   0.021% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.62 +/- 1.14   0.003% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.56 +/- 2.08   0.001% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.09 +/- 3.30   0.005% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 2.00   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.90 +/- 1.33   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.56   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.61 +/- 1.54   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.74 +/- 1.81   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.916, support = 5.28, residual support = 164.4:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.68  74.970% * 94.0974% (0.92  10.0 10.00   5.27 163.31) =  99.266%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.98 +/- 0.73  24.812% *  2.1015% (0.02   1.0 10.00   6.63 316.35) =   0.734%  kept
        T HD3   LYS+ 121 - HA    LYS+  65  16.30 +/- 2.63   0.026% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.37 +/- 0.62   0.040% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.14 +/- 2.90   0.039% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.62 +/- 1.05   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.55 +/- 1.52   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  13.85 +/- 1.00   0.013% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.93 +/- 1.69   0.014% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.46 +/- 3.64   0.005% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.38 +/- 1.83   0.005% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.23 +/- 2.35   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.18 +/- 1.33   0.018% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.68 +/- 0.92   0.004% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.12 +/- 1.62   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.55 +/- 2.52   0.010% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.22 +/- 1.70   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.39 +/- 3.16   0.013% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.75 +/- 0.81   0.005% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.17 +/- 1.73   0.002% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  25.13 +/- 2.72   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  21.80 +/- 1.12   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.86 +/- 3.90   0.008% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.80 +/- 1.81   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.24 +/- 2.10   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.47 +/- 2.84   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.35 +/- 1.50   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  24.16 +/- 1.73   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.794, support = 5.3, residual support = 187.4:
    *   T QD    LYS+  65 - HA    LYS+  65   3.27 +/- 0.53  36.829% * 86.8789% (0.92   1.0 10.00   4.75 163.31) =  84.224%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.08  61.257% *  9.7826% (0.10  10.0 10.00   8.24 316.35) =  15.774%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.54 +/- 0.82   1.853% *  0.0334% (0.04   1.0 10.00   0.02   2.28) =   0.002%
        T HB2   LYS+ 121 - HA    LYS+  65  15.23 +/- 1.78   0.004% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.91 +/- 2.59   0.009% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.51 +/- 1.24   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.82 +/- 1.01   0.010% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.42 +/- 0.62   0.018% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.79 +/- 3.37   0.006% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.15 +/- 1.86   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.45 +/- 1.43   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.94 +/- 2.95   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.66 +/- 2.02   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  22.80 +/- 2.21   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.23 +/- 1.69   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.75 +/- 1.85   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.71 +/- 1.55   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.36 +/- 2.31   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.53 +/- 0.62   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.52 +/- 1.58   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.45 +/- 2.29   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.02 +/- 2.62   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 163.3:
    *   T QE    LYS+  65 - HA    LYS+  65   4.44 +/- 0.19  99.879% * 97.2340% (0.92 10.00   4.75 163.31) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.72 +/- 1.70   0.044% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  16.79 +/- 1.78   0.044% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.41 +/- 0.99   0.005% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.95 +/- 1.32   0.006% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  23.72 +/- 2.34   0.005% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  27.29 +/- 2.89   0.002% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.28 +/- 1.21   0.005% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.26 +/- 3.60   0.004% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  28.33 +/- 3.75   0.002% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.65 +/- 2.89   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.70 +/- 1.48   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 163.3:
    * O T HA    LYS+  65 - QB    LYS+  65   2.39 +/- 0.07  99.674% * 98.7802% (0.92  10.0 10.00   6.30 163.31) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   6.94 +/- 1.09   0.306% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.22 +/- 1.68   0.004% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.69 +/- 1.70   0.011% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.02 +/- 0.94   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.19 +/- 1.43   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  17.99 +/- 1.53   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.82 +/- 0.98   0.000% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.42 +/- 0.93   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  24.62 +/- 0.96   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.15 +/- 0.78   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  26.53 +/- 1.30   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 = 0.995, support = 5.56, residual support = 160.8:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.42 +/- 0.14  97.436% * 57.5064% (1.00  10.0 10.00   5.57 163.31) =  98.168%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.82 +/- 0.64   2.503% * 41.7582% (0.73   1.0 10.00   5.34  24.90) =   1.832%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.61 +/- 2.63   0.028% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  11.73 +/- 0.61   0.008% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  14.65 +/- 0.83   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.42 +/- 1.08   0.011% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.99 +/- 1.77   0.005% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.76 +/- 0.91   0.004% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.47 +/- 1.84   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.29 +/- 1.72   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.3:
    * O T QD    LYS+  65 - QB    LYS+  65   2.13 +/- 0.11  99.962% * 97.4795% (1.00  10.0 10.00   5.04 163.31) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.92 +/- 0.65   0.021% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.28 +/- 1.82   0.005% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.80 +/- 1.93   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.55 +/- 0.91   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.08 +/- 0.98   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.87 +/- 1.90   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.72 +/- 1.54   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.92 +/- 1.76   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.10 +/- 2.02   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.22 +/- 1.73   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 = 163.3:
    *   T QE    LYS+  65 - QB    LYS+  65   2.89 +/- 0.53  99.991% * 98.8300% (1.00 10.00   5.04 163.31) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.70 +/- 1.40   0.005% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.30 +/- 0.81   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  20.58 +/- 1.18   0.001% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.35 +/- 1.04   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  24.77 +/- 2.24   0.000% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 163.3:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.85 +/- 0.44  99.429% * 97.8884% (0.92  10.0 10.00   5.27 163.31) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.38 +/- 0.89   0.542% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  14.55 +/- 1.91   0.013% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.08 +/- 1.71   0.005% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  18.80 +/- 2.05   0.002% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.28 +/- 1.38   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.54 +/- 1.00   0.004% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.35 +/- 1.19   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.85 +/- 0.96   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.10 +/- 1.46   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.37 +/- 1.54   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  28.30 +/- 1.69   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 163.3:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.42 +/- 0.14  98.300% * 99.0387% (1.00  10.0 10.00   5.57 163.31) =  99.997%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.15 +/- 0.51   0.452% *  0.5607% (0.57   1.0 10.00   0.02  24.90) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65   6.45 +/- 1.65   1.242% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.14 +/- 0.91   0.005% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.05 +/- 1.92   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.51 +/- 1.03   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.28 +/- 1.68   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.82 +/- 1.39   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.3:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.30 +/- 0.11  99.958% * 96.4735% (1.00  10.0 10.00   4.44 163.31) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.13 +/- 1.51   0.011% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.78 +/- 1.75   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.47 +/- 0.84   0.025% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.98 +/- 1.33   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.89 +/- 2.24   0.002% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  22.92 +/- 1.55   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.95 +/- 1.97   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.61 +/- 2.12   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.73 +/- 2.40   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.11 +/- 2.30   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.3:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.72 +/- 0.35  99.996% * 98.8300% (1.00  10.0 10.00   4.44 163.31) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.28 +/- 1.84   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.13 +/- 1.58   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  21.24 +/- 1.69   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.84 +/- 1.67   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  26.18 +/- 2.72   0.000% *  0.0912% (0.92   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 = 163.3:
    *   T HA    LYS+  65 - QD    LYS+  65   3.27 +/- 0.53  94.376% * 96.9449% (0.92 10.00   4.75 163.31) =  99.997%  kept
          HA2   GLY   16 - QD    LYS+  65   6.70 +/- 1.37   2.520% *  0.1014% (0.97  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  65  16.45 +/- 1.43   0.008% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.76 +/- 1.34   0.672% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  12.85 +/- 3.05   0.698% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.26 +/- 1.27   0.908% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.79 +/- 3.37   0.023% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.96 +/- 1.38   0.028% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.13 +/- 3.14   0.252% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.23 +/- 1.69   0.008% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.81 +/- 2.11   0.054% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.71 +/- 1.55   0.009% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.94 +/- 2.95   0.006% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.51 +/- 1.24   0.003% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  17.57 +/- 1.87   0.006% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.86 +/- 1.80   0.049% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.46 +/- 0.71   0.132% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.15 +/- 1.86   0.002% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  15.07 +/- 2.87   0.034% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  14.70 +/- 2.63   0.043% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.07 +/- 1.16   0.005% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.89 +/- 1.00   0.011% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.66 +/- 2.02   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  22.80 +/- 2.21   0.002% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.92 +/- 1.33   0.004% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.96 +/- 1.13   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.56 +/- 3.32   0.010% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.87 +/- 2.38   0.036% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.45 +/- 1.71   0.010% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.43 +/- 2.57   0.009% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.77 +/- 1.24   0.005% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.16 +/- 1.20   0.010% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.13 +/- 3.11   0.006% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.35 +/- 3.10   0.011% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.16 +/- 2.92   0.003% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.62 +/- 1.28   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.35 +/- 1.84   0.011% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  21.65 +/- 4.09   0.003% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.24 +/- 3.48   0.003% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.40 +/- 3.06   0.002% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  23.19 +/- 2.79   0.001% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.31 +/- 1.45   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.43 +/- 0.99   0.002% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  23.40 +/- 2.89   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  25.18 +/- 3.30   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.81 +/- 2.24   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.85 +/- 1.31   0.002% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.91 +/- 2.95   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  22.87 +/- 4.18   0.002% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.81 +/- 1.56   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.06 +/- 2.34   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.95 +/- 3.03   0.002% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.20 +/- 2.28   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.49 +/- 3.02   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.97 +/- 1.09   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  22.27 +/- 3.17   0.002% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.12 +/- 1.80   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  28.13 +/- 3.27   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.28 +/- 1.48   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.14 +/- 1.92   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.901, support = 5.01, residual support = 162.8:
    * O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.11  59.122% * 77.3143% (1.00  10.0 10.00   5.04 163.31) =  86.867%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.36 +/- 0.31  36.068% * 19.1545% (0.25  10.0 10.00   4.75 159.18) =  13.129%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  10.67 +/- 4.06   1.634% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - HD3   LYS+ 111  10.90 +/- 4.04   2.196% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65   5.90 +/- 1.53   0.503% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.39   0.084% *  0.0438% (0.57   1.0  1.00   0.02  24.90) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.77 +/- 1.27   0.017% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   5.88 +/- 1.10   0.353% *  0.0049% (0.06   1.0  1.00   0.02  22.47) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.16 +/- 1.73   0.009% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.03 +/- 0.67   0.005% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.60 +/- 1.84   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.30 +/- 1.02   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.51 +/- 1.55   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.39 +/- 0.99   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.70 +/- 0.71   0.004% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.92 +/- 1.76   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.72 +/- 1.54   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.07 +/- 1.15   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.08 +/- 0.98   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.10 +/- 2.02   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.48 +/- 1.49   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.76 +/- 2.18   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.87 +/- 1.17   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.01 +/- 1.94   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.75 +/- 1.14   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  17.89 +/- 1.77   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.13 +/- 1.89   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  17.31 +/- 1.33   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.36 +/- 1.90   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.61 +/- 2.65   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.33 +/- 1.21   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.70 +/- 1.81   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.58 +/- 2.53   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.71 +/- 2.03   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  24.82 +/- 2.36   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.45 +/- 2.19   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.45 +/- 2.26   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.77 +/- 1.98   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.39 +/- 2.48   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.64 +/- 2.67   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.3:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.30 +/- 0.11  84.852% * 94.3122% (1.00  10.0 10.00   4.44 163.31) =  99.993%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.50 +/- 0.44  10.657% *  0.0253% (0.03  10.0  1.00   0.02 315.22) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.86 +/- 0.20   3.982% *  0.0409% (0.04  10.0  1.00   0.02 315.22) =   0.002%
        T QD    LYS+  66 - QD    LYS+  65   6.72 +/- 0.77   0.167% *  0.6848% (0.73   1.0 10.00   0.02  24.90) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  65  11.21 +/- 0.98   0.007% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  15.79 +/- 2.42   0.002% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.11 +/- 1.65   0.011% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   6.74 +/- 1.05   0.239% *  0.0059% (0.06   1.0  1.00   0.02   0.11) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  15.19 +/- 3.56   0.004% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.74 +/- 2.18   0.001% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.17 +/- 1.59   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.00 +/- 1.32   0.002% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.33 +/- 0.82   0.043% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.52 +/- 3.00   0.002% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.64 +/- 2.62   0.000% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  18.79 +/- 1.99   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.90 +/- 1.95   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.51 +/- 2.03   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.65 +/- 1.56   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.40 +/- 1.33   0.007% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.19 +/- 1.48   0.009% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  21.98 +/- 2.84   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.98 +/- 1.33   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.96 +/- 1.24   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.61 +/- 2.12   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.57 +/- 0.68   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.92 +/- 1.55   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.30 +/- 1.99   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.73 +/- 2.40   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.21 +/- 2.44   0.000% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.06 +/- 0.64   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  19.56 +/- 3.30   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.71 +/- 1.44   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.08 +/- 1.71   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.81 +/- 2.17   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  17.97 +/- 2.13   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.83 +/- 1.47   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.48 +/- 1.75   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  21.09 +/- 1.25   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.30 +/- 0.72   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.47 +/- 2.86   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  19.01 +/- 3.36   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.93 +/- 1.97   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.85 +/- 2.96   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.84 +/- 3.25   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.66 +/- 1.95   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.82 +/- 2.52   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.24 +/- 2.86   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.91 +/- 2.57   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.54 +/- 2.67   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 163.3:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.932% * 97.0780% (1.00  10.0 10.00   4.00 163.31) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  11.31 +/- 1.08   0.005% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.64 +/- 0.82   0.055% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.39 +/- 1.72   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.97 +/- 1.55   0.000% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  13.09 +/- 2.41   0.004% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.91 +/- 2.28   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.06 +/- 2.59   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.75 +/- 0.98   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.54 +/- 1.48   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  19.56 +/- 5.17   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.34 +/- 2.69   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.08 +/- 1.52   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.67 +/- 0.82   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  19.99 +/- 1.71   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.74 +/- 1.55   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  25.03 +/- 2.45   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.52 +/- 2.46   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.26 +/- 2.39   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.66 +/- 3.07   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.37 +/- 4.15   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  23.62 +/- 4.48   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.88 +/- 3.07   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.17 +/- 4.01   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.72 +/- 2.44   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.71 +/- 2.06   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.67 +/- 2.28   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.43 +/- 2.91   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.67 +/- 0.87   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.37 +/- 2.54   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.908, support = 4.72, residual support = 160.4:
    *   T HA    LYS+  65 - QE    LYS+  65   4.44 +/- 0.19  80.951% * 88.0388% (0.92 10.00   4.75 163.31) =  98.100%  kept
        T HA    GLN   32 - QE    LYS+  33   6.65 +/- 1.17  14.182% *  9.7024% (0.10 10.00   3.28  11.31) =   1.894%  kept
          HA2   GLY   16 - QE    LYS+  65   7.93 +/- 1.40   4.300% *  0.0920% (0.97  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QE    LYS+  65  16.79 +/- 1.78   0.036% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  16.72 +/- 1.70   0.037% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.18 +/- 1.87   0.107% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  13.86 +/- 2.06   0.179% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  16.83 +/- 2.23   0.037% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.74 +/- 1.38   0.022% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  23.72 +/- 2.34   0.004% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  15.78 +/- 1.26   0.047% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.91 +/- 1.63   0.021% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.87 +/- 1.40   0.005% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.86 +/- 1.10   0.021% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  20.53 +/- 2.69   0.011% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.73 +/- 1.40   0.012% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.18 +/- 1.18   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.28 +/- 1.65   0.008% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.30 +/- 2.84   0.004% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.61 +/- 1.36   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.31 +/- 1.68   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.29 +/- 1.60   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.98 +/- 1.38   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.33 +/- 2.52   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.3:
    *   T QB    LYS+  65 - QE    LYS+  65   2.89 +/- 0.53  91.600% * 98.8024% (1.00 10.00   5.04 163.31) =  99.995%  kept
          HB3   GLN   17 - QE    LYS+  65   6.56 +/- 1.68   7.474% *  0.0599% (0.61  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QE    LYS+  65   6.85 +/- 0.70   0.539% *  0.0559% (0.57  1.00   0.02  24.90) =   0.000%
          HB2   LEU   71 - QE    LYS+  33   8.64 +/- 1.10   0.256% *  0.0507% (0.51  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.70 +/- 1.40   0.004% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.95 +/- 0.71   0.011% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.77 +/- 1.34   0.057% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.39 +/- 1.90   0.035% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  15.89 +/- 1.98   0.007% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.93 +/- 1.38   0.005% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  17.46 +/- 1.22   0.003% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.86 +/- 0.94   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.06 +/- 1.52   0.001% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  17.01 +/- 1.37   0.003% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.26 +/- 1.69   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.67 +/- 1.44   0.001% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.3:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.72 +/- 0.35  97.552% * 98.8048% (1.00  10.0 10.00   4.44 163.31) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  33   6.09 +/- 1.31   1.713% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QE    LYS+  65   7.23 +/- 1.15   0.592% *  0.0717% (0.73   1.0  1.00   0.02  24.90) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  10.92 +/- 1.06   0.030% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  17.28 +/- 1.84   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.04 +/- 2.58   0.012% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  10.55 +/- 1.79   0.048% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.14 +/- 1.44   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.67 +/- 1.56   0.008% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.17 +/- 1.21   0.019% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.45 +/- 1.72   0.004% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.76 +/- 1.05   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  19.05 +/- 1.51   0.001% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  17.30 +/- 1.30   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.34 +/- 2.05   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.62 +/- 1.94   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.74 +/- 2.09   0.000% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.35 +/- 1.54   0.003% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  22.55 +/- 2.29   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.19 +/- 2.39   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 0.04 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 163.3:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.941% * 96.2302% (1.00  10.0 10.00   4.00 163.31) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.31 +/- 1.08   0.005% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.13 +/- 1.17   0.039% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  10.89 +/- 1.54   0.009% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.39 +/- 1.72   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.97 +/- 1.55   0.000% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.75 +/- 0.98   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.70 +/- 1.78   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.47 +/- 2.06   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.54 +/- 1.48   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.91 +/- 2.28   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.79 +/- 1.97   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.06 +/- 2.59   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  17.12 +/- 2.79   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.23 +/- 1.59   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.81 +/- 1.95   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  22.44 +/- 1.97   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.10 +/- 1.15   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.52 +/- 2.46   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.26 +/- 2.39   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.20 +/- 1.68   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.46 +/- 3.49   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 112.1:
    * O T QB    LYS+  66 - HA    LYS+  66   2.39 +/- 0.12  96.171% * 86.1144% (1.00  10.0 10.00   4.99 112.62) =  99.411%  kept
          QB    LYS+  65 - HA    LYS+  66   4.12 +/- 0.14   3.767% * 13.0143% (0.57   1.0  1.00   5.34  24.90) =   0.589%  kept
          HG    LEU  123 - HA    LYS+  66  10.02 +/- 2.71   0.058% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  14.03 +/- 0.46   0.002% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  21.73 +/- 2.10   0.000% *  0.4875% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  18.04 +/- 0.62   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.69 +/- 2.28   0.000% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.63 +/- 1.94   0.000% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  21.25 +/- 1.90   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 = 0.996, support = 4.31, residual support = 112.0:
    * O T QG    LYS+  66 - HA    LYS+  66   2.60 +/- 0.37  97.072% * 72.3676% (1.00  10.0 10.00   4.31 112.62) =  99.406%  kept
        T HG    LEU   67 - HA    LYS+  66   5.85 +/- 1.08   1.541% * 27.1604% (0.38   1.0 10.00   4.19  10.60) =   0.592%  kept
          HB3   LEU   67 - HA    LYS+  66   6.03 +/- 0.60   1.163% *  0.0685% (0.95   1.0  1.00   0.02  10.60) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.05 +/- 0.60   0.197% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  13.65 +/- 1.01   0.007% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.77 +/- 0.78   0.006% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.44 +/- 1.23   0.005% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.70 +/- 2.33   0.004% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.03 +/- 1.23   0.002% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.94 +/- 2.32   0.000% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  25.59 +/- 2.39   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.87 +/- 2.08   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.6:
    *   T QD    LYS+  66 - HA    LYS+  66   2.54 +/- 0.43  98.424% * 98.7926% (1.00 10.00   4.31 112.62) =  99.993%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  12.79 +/- 3.09   0.837% *  0.7911% (0.80 10.00   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HA    LYS+  66   6.39 +/- 0.66   0.671% *  0.0717% (0.73  1.00   0.02  24.90) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.11 +/- 2.44   0.057% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.46 +/- 2.45   0.002% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.89 +/- 1.09   0.003% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.15 +/- 0.79   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.04 +/- 0.68   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.57 +/- 2.07   0.001% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.6:
    *   T QE    LYS+  66 - HA    LYS+  66   4.03 +/- 0.50  99.567% * 99.6609% (1.00 10.00   3.74 112.62) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.41 +/- 0.69   0.427% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.01 +/- 0.94   0.004% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  24.77 +/- 0.91   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 112.6:
    * O T HA    LYS+  66 - QB    LYS+  66   2.39 +/- 0.12  99.924% * 99.9488% (1.00  10.0 10.00   4.99 112.62) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.40 +/- 1.16   0.076% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  22.11 +/- 0.98   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.75 +/- 0.87   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.987, support = 4.31, residual support = 110.5:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.01  93.970% * 71.9610% (1.00  10.0 10.00   4.31 112.62) =  97.964%  kept
        T HG    LEU   67 - QB    LYS+  66   4.66 +/- 1.53   5.202% * 27.0078% (0.38   1.0 10.00   4.16  10.60) =   2.036%  kept
          HB3   LEU   67 - QB    LYS+  66   5.06 +/- 0.63   0.714% *  0.0681% (0.95   1.0  1.00   0.02  10.60) =   0.001%
          QB    ALA   61 - QB    LYS+  66   6.75 +/- 0.60   0.093% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.07 +/- 0.94   0.008% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.20 +/- 2.04   0.005% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.45 +/- 0.95   0.004% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.32 +/- 2.01   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.70 +/- 1.22   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.13 +/- 1.15   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.95 +/- 2.06   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  22.08 +/- 1.81   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.6:
    * O T QD    LYS+  66 - QB    LYS+  66   2.26 +/- 0.18  97.622% * 98.1588% (1.00  10.0 10.00   4.31 112.62) =  99.982%  kept
        T HD2   LYS+ 121 - QB    LYS+  66   9.58 +/- 2.69   1.832% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  65 - QB    LYS+  66   6.15 +/- 0.51   0.459% *  0.7128% (0.73   1.0 10.00   0.02  24.90) =   0.003%
          HB3   LYS+ 121 - QB    LYS+  66   9.84 +/- 2.17   0.076% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  14.25 +/- 2.27   0.003% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.24 +/- 0.95   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.65 +/- 0.73   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.31 +/- 1.87   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.12 +/- 0.60   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 112.6:
    *   T QE    LYS+  66 - QB    LYS+  66   3.11 +/- 0.55  99.852% * 99.6609% (1.00 10.00   3.73 112.62) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.86 +/- 0.66   0.145% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  19.68 +/- 0.75   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  21.90 +/- 0.93   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 = 112.6:
    * O T HA    LYS+  66 - QG    LYS+  66   2.60 +/- 0.37  96.352% * 99.8680% (1.00  10.0 10.00   4.31 112.62) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.85 +/- 1.08   1.550% *  0.0769% (0.08   1.0 10.00   0.02  10.60) =   0.001%
          HA1   GLY   16 - HG    LEU   67   8.03 +/- 2.10   1.964% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.01 +/- 1.34   0.132% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.92 +/- 1.06   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  25.24 +/- 1.29   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  20.34 +/- 1.71   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  27.31 +/- 1.69   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.32, residual support = 112.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.01  90.972% * 85.0190% (1.00  10.0 10.00   4.31 112.62) =  99.406%  kept
          QB    LYS+  65 - QG    LYS+  66   4.21 +/- 1.05   3.499% * 13.1063% (0.57   1.0  1.00   5.45  24.90) =   0.589%  kept
        T QB    LYS+  66 - HG    LEU   67   4.66 +/- 1.53   5.119% *  0.0654% (0.08   1.0 10.00   0.02  10.60) =   0.004%
          HG    LEU  123 - QG    LYS+  66   7.61 +/- 2.69   0.237% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.43 +/- 4.54   0.114% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  16.08 +/- 1.11   0.000% *  0.8042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.23 +/- 2.01   0.000% *  0.5840% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.74 +/- 0.91   0.042% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  13.60 +/- 0.98   0.001% *  0.0619% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.10 +/- 0.96   0.002% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.34 +/- 2.74   0.001% *  0.0450% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.97 +/- 2.12   0.001% *  0.0762% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67  10.12 +/- 1.20   0.010% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.32 +/- 2.12   0.000% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.63 +/- 2.24   0.000% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.71 +/- 2.04   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.12 +/- 1.77   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.80 +/- 2.91   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.6:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  98.156% * 98.6006% (1.00  10.0 10.00   4.00 112.62) =  99.998%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.37 +/- 1.30   0.918% *  0.0716% (0.73   1.0  1.00   0.02  24.90) =   0.001%
        T HD2   LYS+ 121 - QG    LYS+  66  10.11 +/- 2.66   0.074% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   6.31 +/- 1.54   0.763% *  0.0759% (0.08   1.0 10.00   0.02  10.60) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  10.36 +/- 2.29   0.031% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  10.97 +/- 3.15   0.017% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.21 +/- 0.95   0.017% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.99 +/- 2.30   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  13.79 +/- 1.15   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  10.89 +/- 3.21   0.012% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.35 +/- 2.00   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.30 +/- 1.01   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.72 +/- 0.80   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.85 +/- 3.10   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  15.12 +/- 1.18   0.001% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  16.26 +/- 1.55   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.53 +/- 1.31   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  18.94 +/- 2.90   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.4, residual support = 112.6:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.11  96.061% * 99.5585% (1.00  10.0 10.00   3.40 112.62) =  99.997%  kept
        T QE    LYS+  66 - HG    LEU   67   6.94 +/- 1.88   3.746% *  0.0766% (0.08   1.0 10.00   0.02  10.60) =   0.003%
          HB2   ASN   69 - HG    LEU   67   7.17 +/- 1.41   0.183% *  0.0024% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.51 +/- 1.36   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.25 +/- 1.15   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.75 +/- 1.01   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.90 +/- 1.26   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  20.27 +/- 1.49   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.6:
    *   T HA    LYS+  66 - QD    LYS+  66   2.54 +/- 0.43  99.056% * 99.8184% (1.00 10.00   4.31 112.62) =  99.999%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  12.79 +/- 3.09   0.850% *  0.1241% (0.12 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD    LYS+  66   9.53 +/- 1.33   0.087% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.44 +/- 3.24   0.006% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  23.78 +/- 1.21   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.67 +/- 0.95   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  26.03 +/- 3.05   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  28.48 +/- 2.19   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.6:
    * O T QB    LYS+  66 - QD    LYS+  66   2.26 +/- 0.18  95.692% * 98.6916% (1.00  10.0 10.00   4.31 112.62) =  99.988%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.82 +/- 0.64   1.604% *  0.5587% (0.57   1.0 10.00   0.02  24.90) =   0.009%
        T QB    LYS+  66 - HD2   LYS+ 121   9.58 +/- 2.69   1.843% *  0.1227% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QD    LYS+  66   7.61 +/- 2.59   0.773% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.61 +/- 2.63   0.011% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.08 +/- 0.82   0.061% *  0.0069% (0.07   1.0  1.00   0.02   2.28) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  14.23 +/- 0.78   0.002% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.24 +/- 1.85   0.001% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  17.30 +/- 0.94   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  13.79 +/- 3.31   0.005% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.04 +/- 2.18   0.001% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  14.89 +/- 3.69   0.003% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.47 +/- 2.01   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.74 +/- 2.09   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.33 +/- 2.96   0.002% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.10 +/- 2.35   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.27 +/- 2.69   0.001% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.28 +/- 2.57   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.6:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  98.792% * 98.6304% (1.00  10.0 10.00   4.00 112.62) =  99.997%  kept
        T HG    LEU   67 - QD    LYS+  66   6.31 +/- 1.54   0.764% *  0.3702% (0.38   1.0 10.00   0.02  10.60) =   0.003%
          HB3   LEU   67 - QD    LYS+  66   6.82 +/- 1.09   0.256% *  0.0933% (0.95   1.0  1.00   0.02  10.60) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.11 +/- 2.66   0.074% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.80 +/- 0.66   0.042% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  10.97 +/- 3.15   0.017% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.03 +/- 1.34   0.011% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  12.52 +/- 3.07   0.007% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  11.26 +/- 1.25   0.006% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  11.28 +/- 2.97   0.017% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.14 +/- 2.03   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  13.38 +/- 1.23   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.92 +/- 1.04   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.90 +/- 1.23   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.12 +/- 2.48   0.004% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.80 +/- 1.79   0.002% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  16.53 +/- 3.91   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.03 +/- 2.17   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.10 +/- 2.66   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.98 +/- 1.98   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.43 +/- 2.79   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.11 +/- 1.83   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  26.40 +/- 2.35   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  26.08 +/- 2.35   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.6:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.960% * 99.4957% (1.00  10.0 10.00   3.31 112.62) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  10.25 +/- 2.52   0.032% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.89 +/- 1.23   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.58 +/- 1.02   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.14 +/- 2.63   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  23.78 +/- 1.11   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.15 +/- 1.77   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.85 +/- 3.01   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.6:
    *   T HA    LYS+  66 - QE    LYS+  66   4.03 +/- 0.50  97.557% * 99.7309% (1.00 10.00   3.74 112.62) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   8.01 +/- 0.67   1.984% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  10.69 +/- 1.47   0.441% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.01 +/- 0.94   0.004% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  24.35 +/- 1.29   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.25 +/- 1.17   0.008% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.94 +/- 1.30   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.52 +/- 1.20   0.002% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 3.74, residual support = 111.7:
    *   T QB    LYS+  66 - QE    LYS+  66   3.11 +/- 0.55  89.300% * 87.7434% (1.00 10.00   3.73 112.62) =  98.946%  kept
          QB    LYS+  65 - QE    LYS+  66   5.82 +/- 1.00   7.224% * 11.5314% (0.57  1.00   4.64  24.90) =   1.052%  kept
          HG    LEU  123 - QE    LYS+  66   7.01 +/- 2.64   3.357% *  0.0497% (0.57  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HB2   ASP-  76  13.54 +/- 2.33   0.062% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  14.81 +/- 1.20   0.014% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.09 +/- 1.87   0.005% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  17.59 +/- 1.32   0.005% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  19.68 +/- 0.75   0.002% *  0.1824% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.96 +/- 2.18   0.005% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.45 +/- 2.27   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  18.54 +/- 2.20   0.004% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.50 +/- 1.07   0.004% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.40 +/- 1.61   0.005% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.03 +/- 1.02   0.005% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  17.80 +/- 1.03   0.004% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  21.12 +/- 2.03   0.001% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  23.17 +/- 0.85   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.25 +/- 1.79   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.4, residual support = 112.6:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.11  95.215% * 98.5716% (1.00  10.0 10.00   3.40 112.62) =  99.985%  kept
        T HG    LEU   67 - QE    LYS+  66   6.94 +/- 1.88   3.705% *  0.3700% (0.38   1.0 10.00   0.02  10.60) =   0.015%
          HB3   LEU   67 - QE    LYS+  66   7.49 +/- 1.23   0.093% *  0.0932% (0.95   1.0  1.00   0.02  10.60) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   5.80 +/- 1.39   0.452% *  0.0133% (0.13   1.0  1.00   0.02   3.47) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.36 +/- 1.08   0.040% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.77 +/- 1.07   0.472% *  0.0036% (0.04   1.0  1.00   0.02   3.47) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  10.88 +/- 1.36   0.007% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  13.80 +/- 1.99   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.62 +/- 1.56   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.10 +/- 1.43   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.60 +/- 1.36   0.003% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.48 +/- 1.46   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.82 +/- 1.18   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.25 +/- 1.15   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.81 +/- 2.93   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.15 +/- 1.27   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  20.98 +/- 2.30   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.90 +/- 1.26   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.41 +/- 2.10   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.26 +/- 1.87   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  21.12 +/- 1.31   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.33 +/- 1.12   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.48 +/- 1.94   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.48 +/- 1.50   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.6:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.690% * 98.3437% (1.00  10.0 10.00   3.31 112.62) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  10.25 +/- 2.52   0.032% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   8.29 +/- 1.15   0.047% *  0.0714% (0.73   1.0  1.00   0.02  24.90) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.48 +/- 2.46   0.035% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.32 +/- 1.43   0.118% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.63 +/- 0.88   0.057% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.28 +/- 1.05   0.017% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.77 +/- 2.56   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  15.82 +/- 2.14   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.58 +/- 1.37   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.22 +/- 0.92   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.58 +/- 1.02   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.37 +/- 0.94   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.15 +/- 1.77   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  17.94 +/- 1.54   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.66 +/- 2.77   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.59 +/- 1.74   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.27 +/- 1.47   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.8:
    * O T HB2   PRO   68 - HA    PRO   68   2.69 +/- 0.13  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.77) = 100.000%  kept
        T HB    VAL   24 - HA    PRO   68  23.63 +/- 1.97   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    PRO   68  16.33 +/- 1.58   0.002% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.11 +/- 1.67   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.8:
    * O T HA    PRO   68 - HB2   PRO   68   2.69 +/- 0.13 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.77) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  23.63 +/- 1.97   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HB2   ASN   69 - HA    ASN   69   2.56 +/- 0.15  99.969% * 99.7955% (1.00  10.0 10.00   3.31  59.59) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.42 +/- 1.36   0.018% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.69 +/- 1.63   0.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.14 +/- 1.27   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.55 +/- 0.99   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HB3   ASN   69 - HA    ASN   69   2.57 +/- 0.23  99.949% * 99.7714% (1.00  10.0 10.00   3.00  59.59) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.77 +/- 0.83   0.047% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  15.18 +/- 1.29   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.54 +/- 1.27   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HA    ASN   69 - HB2   ASN   69   2.56 +/- 0.15  99.997% * 99.8126% (1.00  10.0 10.00   3.31  59.59) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.41 +/- 0.79   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.86 +/- 0.96   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  59.59) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.38 +/- 0.85   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.56 +/- 1.15   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.56 +/- 1.38   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HA    ASN   69 - HB3   ASN   69   2.57 +/- 0.23  99.997% * 99.8126% (1.00  10.0 10.00   3.00  59.59) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.82 +/- 0.84   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.11 +/- 0.92   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.996% * 99.7955% (1.00  10.0 10.00   3.97  59.59) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.90 +/- 1.72   0.003% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.47 +/- 1.54   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.96 +/- 1.17   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.26 +/- 0.91   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.2:
    * O T HB    VAL   70 - HA    VAL   70   2.82 +/- 0.31  98.674% * 97.2460% (1.00  10.0 10.00   4.31  81.20) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.36 +/- 0.97   0.057% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   8.65 +/- 2.89   1.031% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.01 +/- 2.82   0.065% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.95 +/- 1.29   0.031% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  11.07 +/- 1.61   0.047% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  10.24 +/- 0.99   0.054% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.23 +/- 0.86   0.032% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.79 +/- 2.09   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.79 +/- 2.22   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  18.46 +/- 3.24   0.003% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.02 +/- 0.97   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  26.46 +/- 2.50   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  21.00 +/- 0.82   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.98 +/- 1.60   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.90 +/- 2.15   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.06 +/- 0.42   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  28.69 +/- 3.93   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.07 +/- 3.72   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  31.12 +/- 1.99   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.32 +/- 0.91   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 = 4.88, residual support = 79.9:
    * O T QG1   VAL   70 - HA    VAL   70   2.56 +/- 0.41  88.665% * 80.4602% (1.00  10.0 10.00   4.88  81.20) =  97.400%  kept
          QD1   LEU   71 - HA    VAL   70   5.04 +/- 1.21  11.118% * 17.1221% (0.92   1.0  1.00   4.61  32.52) =   2.599%  kept
        T QG1   VAL   18 - HA    VAL   70  10.20 +/- 0.84   0.034% *  0.7887% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   8.85 +/- 1.01   0.095% *  0.0456% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.61 +/- 3.37   0.047% *  0.0743% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  11.99 +/- 1.81   0.012% *  0.1797% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.31 +/- 1.27   0.022% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.23 +/- 1.50   0.002% *  0.3822% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  22.78 +/- 2.29   0.000% *  0.3899% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  19.98 +/- 0.94   0.001% *  0.1833% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.38 +/- 1.69   0.000% *  0.1692% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  18.57 +/- 2.59   0.001% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.31 +/- 1.57   0.001% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  18.53 +/- 1.56   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  25.13 +/- 1.98   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  28.04 +/- 1.82   0.000% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  27.90 +/- 3.83   0.000% *  0.0236% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.09 +/- 1.59   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.2:
    * O T QG2   VAL   70 - HA    VAL   70   2.46 +/- 0.18  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.20) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  20.55 +/- 2.20   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.27 +/- 0.56   0.001% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.2:
    * O T HA    VAL   70 - HB    VAL   70   2.82 +/- 0.31  89.023% * 98.3567% (1.00  10.0 10.00   4.31  81.20) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   4.97 +/- 0.69   4.828% *  0.0125% (0.13   1.0  1.00   0.02  50.08) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.75 +/- 0.33   4.997% *  0.0036% (0.04   1.0  1.00   0.02  16.63) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.77 +/- 1.80   0.856% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.73 +/- 0.97   0.178% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.36 +/- 0.97   0.051% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  11.48 +/- 0.98   0.025% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  14.43 +/- 2.50   0.011% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  15.58 +/- 1.09   0.004% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.46 +/- 1.59   0.013% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  26.46 +/- 2.50   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  18.53 +/- 0.96   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.02 +/- 0.97   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.18 +/- 1.59   0.006% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.79 +/- 2.09   0.001% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.79 +/- 2.22   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.44 +/- 1.54   0.003% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.97 +/- 1.96   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 81.2:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.02  98.856% * 99.3444% (1.00  10.0 10.00   5.30  81.20) =  99.999%  kept
          QD1   LEU   71 - HB    VAL   70   6.65 +/- 0.99   0.219% *  0.0917% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.46 +/- 0.96   0.184% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.49 +/- 0.60   0.424% *  0.0181% (0.18   1.0  1.00   0.02  50.08) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.78 +/- 3.17   0.061% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.00 +/- 1.07   0.023% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.18 +/- 1.76   0.196% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.46 +/- 1.07   0.017% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.06 +/- 1.77   0.009% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.54 +/- 0.78   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.75 +/- 1.92   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.16 +/- 1.66   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.2:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.978% * 99.8146% (0.80  10.0 10.00   4.31  81.20) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.81 +/- 0.71   0.022% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 81.2:
    * O T HA    VAL   70 - QG1   VAL   70   2.56 +/- 0.41  98.474% * 98.1637% (1.00  10.0 10.00   4.88  81.20) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   8.22 +/- 1.23   0.438% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG1   VAL   70   6.97 +/- 1.51   1.010% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  11.92 +/- 2.21   0.024% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   9.69 +/- 0.98   0.044% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  13.38 +/- 0.93   0.007% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  22.78 +/- 2.29   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  19.98 +/- 0.94   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  16.05 +/- 0.82   0.003% *  0.0713% (0.73   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 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 81.2:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.02  99.946% * 98.7774% (1.00  10.0 10.00   5.30  81.20) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.00 +/- 1.07   0.024% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.05 +/- 1.12   0.013% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  10.50 +/- 1.62   0.011% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.31 +/- 1.09   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.11 +/- 0.87   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.01 +/- 0.77   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.88, residual support = 81.2:
    * O T QG2   VAL   70 - QG1   VAL   70   2.04 +/- 0.07 100.000% *100.0000% (0.80  10.0 10.00   4.88  81.20) = 100.000%  kept
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.2:
    * O T HA    VAL   70 - QG2   VAL   70   2.46 +/- 0.18  99.337% * 98.7631% (0.80  10.0 10.00   4.00  81.20) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.05 +/- 0.60   0.272% *  0.0678% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.56 +/- 1.37   0.321% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   9.26 +/- 0.60   0.042% *  0.0481% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.00 +/- 2.19   0.015% *  0.0988% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  12.15 +/- 0.68   0.008% *  0.0857% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  20.55 +/- 2.20   0.000% *  0.5990% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  14.22 +/- 0.70   0.003% *  0.0717% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.27 +/- 0.56   0.001% *  0.2463% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.2:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.892% * 98.7774% (0.80  10.0 10.00   4.31  81.20) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.81 +/- 0.71   0.022% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.00 +/- 1.07   0.069% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70  10.09 +/- 1.04   0.010% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  11.03 +/- 0.47   0.005% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.09 +/- 0.70   0.000% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.02 +/- 0.48   0.001% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.88, residual support = 81.2:
    * O T QG1   VAL   70 - QG2   VAL   70   2.04 +/- 0.07  98.112% * 99.6017% (0.80  10.0 10.00   4.88  81.20) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   4.85 +/- 0.64   0.991% *  0.0919% (0.74   1.0  1.00   0.02  32.52) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.21 +/- 1.02   0.709% *  0.0564% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.71 +/- 2.77   0.094% *  0.0919% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.48 +/- 0.88   0.062% *  0.0976% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.19 +/- 1.00   0.032% *  0.0604% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.0:
    * O T HB2   LEU   71 - HA    LEU   71   2.99 +/- 0.04  99.437% * 99.5520% (1.00  10.0 10.00   5.31 139.01) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   9.06 +/- 1.29   0.192% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   8.58 +/- 0.97   0.234% *  0.0340% (0.34   1.0  1.00   0.02   4.37) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.50 +/- 0.62   0.056% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.45 +/- 0.72   0.062% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.44 +/- 1.42   0.010% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.85 +/- 1.23   0.007% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.12 +/- 1.39   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.0:
    * O T HB3   LEU   71 - HA    LEU   71   2.60 +/- 0.12  99.993% * 99.6783% (1.00  10.0 10.00   4.31 139.01) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.50 +/- 0.87   0.006% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  22.30 +/- 2.30   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.73 +/- 1.50   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.08 +/- 2.60   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.72 +/- 2.18   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.06, residual support = 137.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.31 +/- 0.54  90.962% * 82.0025% (1.00 10.00   4.05 139.01) =  98.289%  kept
          QG1   VAL   70 - HA    LEU   71   5.29 +/- 0.56   7.308% * 17.7506% (0.92  1.00   4.69  32.52) =   1.709%  kept
          QG1   VAL   18 - HA    LEU   71   7.37 +/- 0.70   1.248% *  0.0685% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU   71   9.14 +/- 1.04   0.385% *  0.0280% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.65 +/- 2.87   0.072% *  0.0820% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.21 +/- 1.17   0.024% *  0.0685% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.0:
    *   T QD2   LEU   71 - HA    LEU   71   1.99 +/- 0.10  96.808% * 99.6055% (1.00 10.00   5.00 139.01) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   6.63 +/- 1.55   3.033% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    LEU   71   6.55 +/- 0.89   0.153% *  0.0409% (0.41  1.00   0.02   1.94) =   0.000%
          QG2   ILE  119 - HA    LEU   71  13.70 +/- 2.49   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.03 +/- 0.92   0.002% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.53 +/- 1.23   0.001% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.29 +/- 0.64   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.0:
    * O T HA    LEU   71 - HB2   LEU   71   2.99 +/- 0.04  99.514% * 99.9402% (1.00  10.0 10.00   5.31 139.01) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.48 +/- 0.49   0.449% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.16 +/- 0.42   0.037% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 139.01) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.57 +/- 0.79   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.17 +/- 2.31   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  20.85 +/- 2.73   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.44 +/- 1.55   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.67 +/- 2.20   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T QD1   LEU   71 - HB2   LEU   71   2.37 +/- 0.11  99.540% * 99.6081% (1.00  10.0 10.00   4.97 139.01) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   71   6.06 +/- 0.33   0.380% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   8.64 +/- 0.65   0.053% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.44 +/- 1.14   0.018% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.64 +/- 3.15   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.86 +/- 1.18   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.0:
    * O T QD2   LEU   71 - HB2   LEU   71   3.21 +/- 0.00  88.246% * 99.6055% (1.00  10.0 10.00   5.44 139.01) =  99.994%  kept
          QD2   LEU   40 - HB2   LEU   71   5.17 +/- 0.96  10.459% *  0.0409% (0.41   1.0  1.00   0.02   1.94) =   0.005%
          QD1   LEU   67 - HB2   LEU   71   7.61 +/- 1.14   1.168% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  11.68 +/- 1.25   0.045% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.69 +/- 0.53   0.039% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  14.66 +/- 2.65   0.020% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.90 +/- 0.86   0.023% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.0:
    * O T HA    LEU   71 - HB3   LEU   71   2.60 +/- 0.12  99.890% * 99.9402% (1.00  10.0 10.00   4.31 139.01) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.57 +/- 0.96   0.094% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.38 +/- 1.18   0.016% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.948% * 99.3538% (1.00  10.0 10.00   4.97 139.01) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.92 +/- 1.08   0.047% *  0.0339% (0.34   1.0  1.00   0.02   4.37) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  11.23 +/- 1.42   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.56 +/- 1.22   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.06 +/- 1.54   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.61 +/- 0.52   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.20 +/- 0.62   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.04 +/- 1.40   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 = 3.74, residual support = 139.0:
    * O T QD1   LEU   71 - HB3   LEU   71   2.70 +/- 0.48  98.518% * 99.6081% (1.00  10.0 10.00   3.74 139.01) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU   71   6.05 +/- 0.49   1.236% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   8.79 +/- 0.93   0.189% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  10.82 +/- 1.15   0.041% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.78 +/- 3.10   0.008% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.65 +/- 1.36   0.008% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.0:
    * O T QD2   LEU   71 - HB3   LEU   71   2.40 +/- 0.08  98.738% * 99.6055% (1.00  10.0 10.00   4.44 139.01) =  99.999%  kept
          QD2   LEU   40 - HB3   LEU   71   5.85 +/- 0.94   0.952% *  0.0409% (0.41   1.0  1.00   0.02   1.94) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.74 +/- 1.30   0.291% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.56 +/- 1.22   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.97 +/- 2.67   0.004% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.55 +/- 0.58   0.005% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.31 +/- 1.03   0.004% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 139.0:
    *   T HA    LEU   71 - QD1   LEU   71   3.31 +/- 0.54  98.540% * 99.9402% (1.00 10.00   4.05 139.01) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   7.53 +/- 1.05   1.192% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.37 +/- 1.37   0.268% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.0:
    * O T HB2   LEU   71 - QD1   LEU   71   2.37 +/- 0.11  99.348% * 99.5520% (1.00  10.0 10.00   4.97 139.01) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.09 +/- 0.85   0.551% *  0.0340% (0.34   1.0  1.00   0.02   4.37) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.55 +/- 1.72   0.057% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.30 +/- 1.37   0.012% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.18 +/- 1.15   0.011% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.06 +/- 1.10   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.78 +/- 1.07   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.34 +/- 1.76   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 139.0:
    * O T HB3   LEU   71 - QD1   LEU   71   2.70 +/- 0.48  99.968% * 99.6783% (1.00  10.0 10.00   3.74 139.01) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.72 +/- 0.85   0.027% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  20.66 +/- 1.95   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  18.39 +/- 2.27   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.95 +/- 1.33   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.28 +/- 1.78   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.06 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 139.0:
    * O T QD2   LEU   71 - QD1   LEU   71   2.03 +/- 0.06  98.627% * 99.6055% (1.00  10.0 10.00   4.18 139.01) =  99.999%  kept
          QD2   LEU   40 - QD1   LEU   71   5.62 +/- 1.02   1.122% *  0.0409% (0.41   1.0  1.00   0.02   1.94) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.37 +/- 1.36   0.234% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.89 +/- 1.07   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.37 +/- 1.49   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.00 +/- 0.54   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.35 +/- 1.97   0.002% *  0.0864% (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 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.0:
    *   T HA    LEU   71 - QD2   LEU   71   1.99 +/- 0.10  99.968% * 99.9402% (1.00 10.00   5.00 139.01) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.94 +/- 0.55   0.013% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.48 +/- 0.66   0.019% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.0:
    * O T HB2   LEU   71 - QD2   LEU   71   3.21 +/- 0.00  98.239% * 99.3538% (1.00  10.0 10.00   5.44 139.01) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   7.77 +/- 1.36   0.897% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.84 +/- 0.87   0.589% *  0.0339% (0.34   1.0  1.00   0.02   4.37) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.98 +/- 0.71   0.119% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.26 +/- 0.64   0.100% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.45 +/- 1.01   0.020% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.70 +/- 1.30   0.032% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.71 +/- 1.27   0.004% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.0:
    * O T HB3   LEU   71 - QD2   LEU   71   2.40 +/- 0.08  99.993% * 99.2790% (1.00  10.0 10.00   4.44 139.01) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.64 +/- 0.76   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.79 +/- 1.86   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.57 +/- 1.88   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.96 +/- 1.29   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  19.49 +/- 2.29   0.000% *  0.0373% (0.38   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 = 4.18, residual support = 139.0:
    * O T QD1   LEU   71 - QD2   LEU   71   2.03 +/- 0.06  99.680% * 99.6081% (1.00  10.0 10.00   4.18 139.01) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.71 +/- 0.42   0.230% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.90 +/- 0.59   0.076% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.67 +/- 0.79   0.010% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.86 +/- 2.43   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.27 +/- 1.03   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 89.2:
    * O T HB2   PHE   72 - HA    PHE   72   2.89 +/- 0.20  98.529% * 99.8683% (0.64  10.0 10.00   4.07  89.21) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   5.93 +/- 0.45   1.444% *  0.0868% (0.55   1.0  1.00   0.02  39.53) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.49 +/- 0.36   0.028% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.61, residual support = 89.2:
    * O T HB3   PHE   72 - HA    PHE   72   2.80 +/- 0.24  97.880% * 99.4196% (0.66  10.0 10.00   4.61  89.21) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   5.78 +/- 0.56   1.907% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   9.16 +/- 1.35   0.121% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.32 +/- 1.57   0.054% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.14 +/- 2.19   0.027% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.89 +/- 0.78   0.008% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.23 +/- 2.00   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.52 +/- 1.38   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 89.2:
    * O T HA    PHE   72 - HB2   PHE   72   2.89 +/- 0.20 100.000% *100.0000% (0.64  10.0 10.00   4.07  89.21) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.22, residual support = 89.2:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.829% * 99.4196% (0.72  10.0 10.00   4.22  89.21) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.16 +/- 1.16   0.148% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.43 +/- 1.46   0.016% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  10.12 +/- 1.56   0.006% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  11.83 +/- 1.66   0.002% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.38 +/- 1.89   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.95 +/- 0.92   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  20.32 +/- 1.65   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.61, residual support = 89.2:
    * O T HA    PHE   72 - HB3   PHE   72   2.80 +/- 0.24 100.000% *100.0000% (0.66  10.0 10.00   4.61  89.21) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.22, residual support = 89.2:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.195% * 99.8683% (0.72  10.0 10.00   4.22  89.21) =  99.999%  kept
          HA    ALA   64 - HB3   PHE   72   4.36 +/- 0.74   0.804% *  0.0868% (0.63   1.0  1.00   0.02  39.53) =   0.001%
          HB3   ASN   69 - HB3   PHE   72  11.40 +/- 0.63   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HB2   LEU   73 - HA    LEU   73   2.78 +/- 0.28  99.954% * 99.4108% (1.00  10.0 10.00   5.00 170.23) = 100.000%  kept
          QD    LYS+ 106 - HA    LEU   73  15.33 +/- 1.70   0.010% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  15.07 +/- 1.01   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.12 +/- 1.54   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  12.85 +/- 1.28   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.14 +/- 0.89   0.002% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.21 +/- 1.24   0.005% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.50 +/- 2.96   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.31 +/- 1.26   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.80 +/- 2.39   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HB3   LEU   73 - HA    LEU   73   2.50 +/- 0.27  96.137% * 99.1728% (1.00  10.0 10.00   5.00 170.23) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.58 +/- 0.38   3.476% *  0.0174% (0.18   1.0  1.00   0.02  40.97) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.82 +/- 0.62   0.310% *  0.0983% (0.99   1.0  1.00   0.02   1.46) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  11.30 +/- 0.98   0.017% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  11.91 +/- 1.23   0.011% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.38 +/- 1.06   0.015% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  14.69 +/- 2.33   0.008% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.12 +/- 1.50   0.011% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.14 +/- 1.23   0.007% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.78 +/- 1.39   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.04 +/- 1.19   0.002% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  20.14 +/- 1.22   0.000% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.31 +/- 1.96   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.98 +/- 3.11   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.93 +/- 2.01   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    *   T QD1   LEU   73 - HA    LEU   73   3.87 +/- 0.16  97.013% * 98.2281% (1.00 10.00   5.00 170.23) =  99.989%  kept
        T QD1   LEU   63 - HA    LEU   73   9.09 +/- 1.39   0.938% *  0.9823% (1.00 10.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - HA    LEU   73   8.77 +/- 2.14   1.230% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.29 +/- 1.46   0.072% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.06 +/- 1.13   0.443% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  13.94 +/- 1.80   0.069% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  11.53 +/- 2.57   0.235% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.2:
    *   T QD2   LEU   73 - HA    LEU   73   2.42 +/- 0.61  99.282% * 99.4036% (1.00 10.00   6.21 170.23) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.49 +/- 1.09   0.574% *  0.0276% (0.28  1.00   0.02   7.84) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.64 +/- 0.75   0.047% *  0.0959% (0.97  1.00   0.02   3.36) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.67 +/- 1.29   0.074% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  12.83 +/- 1.52   0.023% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  18.97 +/- 1.35   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HA    LEU   73 - HB2   LEU   73   2.78 +/- 0.28 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.23) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.846% * 95.5463% (1.00  10.0 10.00   5.00 170.23) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.65 +/- 0.96   0.049% *  0.0947% (0.99   1.0  1.00   0.02   1.46) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.80 +/- 1.00   0.002% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.83 +/- 0.57   0.089% *  0.0167% (0.18   1.0  1.00   0.02  40.97) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  12.85 +/- 1.49   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.16 +/- 1.04   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.77 +/- 1.77   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.92 +/- 1.70   0.005% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.47 +/- 2.15   0.005% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.64 +/- 1.67   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.59 +/- 1.66   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.05 +/- 2.53   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  21.69 +/- 1.66   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.77 +/- 3.53   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.89 +/- 2.39   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T QD1   LEU   73 - HB2   LEU   73   2.42 +/- 0.13  99.597% * 98.2281% (1.00  10.0 10.00   5.00 170.23) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.62 +/- 1.59   0.047% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   73   7.61 +/- 2.24   0.269% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.62 +/- 1.73   0.007% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.68 +/- 1.33   0.020% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   9.91 +/- 2.83   0.055% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.38 +/- 1.91   0.004% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.18, residual support = 169.3:
    * O T QD2   LEU   73 - HB2   LEU   73   2.95 +/- 0.30  77.495% * 96.6530% (1.00  10.0 10.00   6.21 170.23) =  99.422%  kept
          QG1   VAL   43 - HB2   LEU   73   4.63 +/- 1.52  21.572% *  2.0139% (0.28   1.0  1.00   1.50   7.84) =   0.577%  kept
          HG    LEU   31 - HB2   LEU   73   7.61 +/- 0.79   0.453% *  0.0933% (0.97   1.0  1.00   0.02   3.36) =   0.001%
          QG1   VAL   41 - HB2   LEU   73   7.59 +/- 1.34   0.465% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.24 +/- 1.33   0.014% *  0.8668% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  18.82 +/- 2.06   0.002% *  0.3297% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HA    LEU   73 - HB3   LEU   73   2.50 +/- 0.27 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.23) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.00 170.23) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.30 +/- 1.29   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.81 +/- 1.82   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.79 +/- 1.04   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.17 +/- 2.35   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.35 +/- 1.64   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.73 +/- 1.38   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.87 +/- 1.31   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.72 +/- 1.26   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.71 +/- 2.88   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 170.2:
    * O T QD1   LEU   73 - HB3   LEU   73   2.31 +/- 0.16  99.753% * 97.5376% (1.00  10.0 10.00   4.98 170.23) =  99.998%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.62 +/- 2.44   0.163% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73  10.03 +/- 1.58   0.027% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.99 +/- 1.80   0.008% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.03 +/- 1.39   0.013% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73  10.03 +/- 2.90   0.034% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.79 +/- 1.85   0.002% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.2:
    * O T QD2   LEU   73 - HB3   LEU   73   2.82 +/- 0.30  88.771% * 99.1570% (1.00  10.0 10.00   6.21 170.23) =  99.966%  kept
        T QG1   VAL   43 - HB3   LEU   73   5.19 +/- 1.42  10.609% *  0.2757% (0.28   1.0 10.00   0.02   7.84) =   0.033%
          HG    LEU   31 - HB3   LEU   73   7.72 +/- 0.71   0.288% *  0.0957% (0.97   1.0  1.00   0.02   3.36) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   7.78 +/- 1.19   0.321% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.69 +/- 1.38   0.010% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.40 +/- 1.67   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.2:
    *   T HA    LEU   73 - QD1   LEU   73   3.87 +/- 0.16  98.965% * 98.7705% (1.00 10.00   5.00 170.23) =  99.990%  kept
        T HA    LEU   73 - QD1   LEU   63   9.09 +/- 1.39   0.962% *  0.9877% (1.00 10.00   0.02   0.02) =   0.010%
        T HA    LEU   73 - QD1   LEU  104  13.29 +/- 1.46   0.074% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.959, support = 4.85, residual support = 163.2:
    * O T HB2   LEU   73 - QD1   LEU   73   2.42 +/- 0.13  38.699% * 91.8603% (1.00  10.0 10.00   5.00 170.23) =  95.419%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.11 +/- 1.88  28.481% *  3.9195% (0.05   1.0 10.00   1.57  16.88) =   2.996%  kept
          QD    LYS+  99 - QD1   LEU  104   3.31 +/- 2.26  31.373% *  1.8804% (0.23   1.0  1.00   1.81  16.88) =   1.583%  kept
          QG1   ILE   56 - QD1   LEU   63   5.14 +/- 0.82   0.973% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - QD1   LEU   63   9.62 +/- 1.59   0.014% *  0.9186% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.87 +/- 1.41   0.040% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.51 +/- 1.04   0.267% *  0.0092% (0.10   1.0  1.00   0.02   0.11) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.51 +/- 1.93   0.026% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.51 +/- 2.31   0.020% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   7.97 +/- 0.94   0.053% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.79 +/- 1.85   0.009% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.62 +/- 1.73   0.003% *  0.2249% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.43 +/- 1.86   0.006% *  0.0887% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.23 +/- 1.54   0.004% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.26 +/- 0.90   0.004% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  11.35 +/- 1.21   0.003% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.04 +/- 1.02   0.005% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  12.26 +/- 4.09   0.006% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.73 +/- 1.61   0.003% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.17 +/- 0.87   0.001% *  0.0887% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.25 +/- 1.26   0.001% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.82 +/- 1.24   0.002% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.13 +/- 1.21   0.001% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.44 +/- 1.26   0.001% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.71 +/- 1.81   0.003% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.28 +/- 1.75   0.000% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.23 +/- 1.65   0.001% *  0.0217% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.58 +/- 2.84   0.000% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.61 +/- 2.09   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.03 +/- 1.53   0.001% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 170.2:
    * O T HB3   LEU   73 - QD1   LEU   73   2.31 +/- 0.16  90.348% * 96.9771% (1.00  10.0 10.00   4.98 170.23) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   63   6.73 +/- 1.51   0.481% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   5.74 +/- 0.47   0.475% *  0.0961% (0.99   1.0  1.00   0.02   1.46) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63  10.03 +/- 1.58   0.024% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.17 +/- 1.31   3.656% *  0.0059% (0.06   1.0  1.00   0.02   6.17) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   6.92 +/- 1.23   0.178% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.16 +/- 0.68   1.228% *  0.0089% (0.09   1.0  1.00   0.02   6.17) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.69 +/- 1.27   0.394% *  0.0237% (0.24   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   8.52 +/- 3.72   1.983% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.02 +/- 1.10   0.299% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.32 +/- 1.07   0.137% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.59 +/- 0.76   0.043% *  0.0961% (0.99   1.0  1.00   0.02   1.21) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.05 +/- 2.01   0.111% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.35 +/- 1.50   0.033% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.73 +/- 0.32   0.168% *  0.0170% (0.18   1.0  1.00   0.02  40.97) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.00 +/- 1.39   0.113% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.90 +/- 1.03   0.090% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63   9.96 +/- 1.27   0.022% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.99 +/- 1.80   0.005% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.72 +/- 1.33   0.066% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63  10.20 +/- 1.45   0.018% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.65 +/- 2.17   0.023% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.03 +/- 2.14   0.007% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.59 +/- 1.17   0.005% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.04 +/- 1.24   0.019% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.21 +/- 1.33   0.009% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.25 +/- 0.91   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.94 +/- 1.78   0.012% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  14.42 +/- 1.10   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.51 +/- 1.19   0.004% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.21 +/- 4.11   0.026% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.96 +/- 1.40   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.40 +/- 1.49   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.16 +/- 1.47   0.002% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.64 +/- 1.91   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.27 +/- 1.17   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.81 +/- 1.48   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.12 +/- 2.04   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.86 +/- 3.17   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.37 +/- 1.99   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.40 +/- 1.48   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.96 +/- 1.01   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.12 +/- 2.31   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.39 +/- 2.43   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.21 +/- 1.56   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.2:
    * O T QD2   LEU   73 - QD1   LEU   73   2.04 +/- 0.07  83.461% * 96.6209% (1.00  10.0 10.00   6.21 170.23) =  99.983%  kept
        T QG1   VAL   41 - QD1   LEU   73   4.76 +/- 1.10   1.787% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   43 - QD1   LEU   73   3.63 +/- 1.04  12.127% *  0.0269% (0.28   1.0  1.00   0.02   7.84) =   0.004%
          HG    LEU   31 - QD1   LEU   73   4.45 +/- 0.58   1.181% *  0.0932% (0.97   1.0  1.00   0.02   3.36) =   0.001%
        T QD2   LEU   73 - QD1   LEU   63   7.73 +/- 1.26   0.048% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   5.28 +/- 0.72   0.474% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD1   LEU  104   7.80 +/- 3.39   0.236% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.84 +/- 0.82   0.084% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.98 +/- 1.16   0.017% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 1.42   0.522% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.32 +/- 1.25   0.006% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.69 +/- 0.97   0.009% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.94 +/- 1.39   0.040% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.66 +/- 1.17   0.002% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.21 +/- 1.58   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.11 +/- 1.95   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.27 +/- 1.98   0.004% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.04 +/- 1.26   0.002% *  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 = 170.2:
    *   T HA    LEU   73 - QD2   LEU   73   2.42 +/- 0.61  99.999% * 99.6602% (1.00 10.00   6.21 170.23) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.97 +/- 1.35   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.2:
    * O T HB2   LEU   73 - QD2   LEU   73   2.95 +/- 0.30  98.995% * 98.3218% (1.00  10.0 10.00   6.21 170.23) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.63 +/- 0.78   0.186% *  0.2169% (0.22   1.0 10.00   0.02   2.28) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.57 +/- 1.50   0.043% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.20 +/- 2.86   0.274% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.01 +/- 1.63   0.064% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.87 +/- 0.79   0.052% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121  10.90 +/- 2.86   0.136% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.08 +/- 0.92   0.015% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.76 +/- 0.84   0.052% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.57 +/- 1.71   0.016% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  14.91 +/- 1.54   0.008% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  18.82 +/- 2.06   0.002% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  11.96 +/- 3.35   0.093% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.54 +/- 0.89   0.013% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.83 +/- 3.40   0.032% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.70 +/- 2.72   0.006% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.30 +/- 2.10   0.003% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.93 +/- 2.00   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.13 +/- 1.92   0.002% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.24 +/- 2.25   0.002% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.929, support = 6.17, residual support = 179.8:
    * O T HB3   LEU   73 - QD2   LEU   73   2.82 +/- 0.30  39.073% * 89.5676% (1.00  10.0 10.00   6.21 170.23) =  92.570%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.34  56.392% *  4.7126% (0.05  10.0 10.00   5.98 316.35) =   7.029%  kept
          HB    VAL   42 - QD2   LEU   73   4.33 +/- 0.48   3.453% *  4.3817% (0.99   1.0  1.00   0.99   1.46) =   0.400%
          HG3   LYS+  33 - QD2   LEU   73   7.78 +/- 1.51   0.138% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   5.91 +/- 0.43   0.547% *  0.0157% (0.18   1.0  1.00   0.02  40.97) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.74 +/- 0.70   0.108% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.35 +/- 1.38   0.115% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.38 +/- 3.21   0.062% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.03 +/- 0.99   0.011% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.31 +/- 2.33   0.016% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.31 +/- 1.27   0.007% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  11.80 +/- 1.60   0.013% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.09 +/- 1.83   0.002% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  12.08 +/- 1.36   0.007% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.78 +/- 1.14   0.002% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.28 +/- 1.89   0.005% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.40 +/- 1.67   0.000% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121  10.04 +/- 0.88   0.023% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.41 +/- 2.90   0.009% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  15.32 +/- 3.49   0.003% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.40 +/- 1.88   0.001% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.95 +/- 2.43   0.002% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.62 +/- 3.62   0.007% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.87 +/- 1.03   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.31 +/- 2.99   0.002% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.91 +/- 2.09   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.82 +/- 1.98   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.52 +/- 2.70   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.54 +/- 1.89   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.30 +/- 1.29   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.2:
    * O T QD1   LEU   73 - QD2   LEU   73   2.04 +/- 0.07  99.462% * 97.3141% (1.00  10.0 10.00   6.21 170.23) =  99.999%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.73 +/- 1.26   0.057% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HG3   LYS+ 121   7.80 +/- 3.39   0.262% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HG3   LYS+ 121   8.98 +/- 1.16   0.020% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.69 +/- 0.97   0.011% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.86 +/- 1.76   0.057% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.26 +/- 1.12   0.036% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.02 +/- 1.93   0.059% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.41 +/- 0.77   0.012% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.02 +/- 1.60   0.004% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.66 +/- 2.23   0.018% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.21 +/- 1.58   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.33 +/- 2.01   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  22.14 +/- 2.71   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.9:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.66 +/- 0.15  99.847% * 99.4757% (0.64  10.0 10.00   6.31 187.88) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.43 +/- 0.43   0.107% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  11.93 +/- 1.19   0.016% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.58 +/- 0.85   0.004% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.39 +/- 1.89   0.005% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.42 +/- 1.19   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.65 +/- 1.12   0.005% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.99 +/- 1.59   0.006% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.41 +/- 1.21   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.45 +/- 1.81   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.9:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.48 +/- 0.34  99.814% * 99.1206% (0.80  10.0 10.00   6.28 187.88) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   9.07 +/- 0.61   0.067% *  0.0915% (0.74   1.0  1.00   0.02   8.28) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.10 +/- 1.28   0.015% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.80 +/- 1.79   0.073% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.64 +/- 0.98   0.015% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.41 +/- 0.47   0.008% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.83 +/- 2.44   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  13.99 +/- 2.22   0.006% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.94 +/- 1.07   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.59 +/- 0.94   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 5.56, residual support = 184.6:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.57 +/- 0.11  78.447% * 92.2581% (0.80  10.0 10.00   5.57 187.88) =  97.909%  kept
          HB    VAL   75 - HA    LYS+  74   4.59 +/- 0.52  21.068% *  7.3333% (0.25   1.0  1.00   5.15  31.88) =   2.090%  kept
          QD2   LEU   71 - HA    LYS+  74   9.69 +/- 0.48   0.202% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  11.17 +/- 1.01   0.107% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.17 +/- 0.90   0.096% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.99 +/- 0.88   0.023% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.57 +/- 1.64   0.034% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  14.40 +/- 1.58   0.024% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.42 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.9:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.62 +/- 0.64  99.750% * 99.2156% (0.80 10.00   5.91 187.88) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.60 +/- 1.45   0.154% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  11.44 +/- 2.18   0.054% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.19 +/- 1.12   0.025% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.85 +/- 1.16   0.011% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.56 +/- 0.57   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.39 +/- 2.68   0.002% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.89 +/- 1.37   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.24 +/- 2.64   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.9:
    *   T QE    LYS+  74 - HA    LYS+  74   2.76 +/- 0.50  98.981% * 99.7560% (0.80 10.00   4.93 187.88) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   6.69 +/- 0.71   0.959% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  11.14 +/- 1.10   0.037% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  12.14 +/- 0.70   0.021% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.86 +/- 0.37   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.23 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.9:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.66 +/- 0.15  99.986% * 99.8966% (0.64  10.0 10.00   6.31 187.88) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.67 +/- 0.75   0.009% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.18 +/- 0.96   0.005% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.9:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.04  99.464% * 99.1206% (0.80  10.0 10.00   5.85 187.88) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.16 +/- 1.01   0.356% *  0.0915% (0.74   1.0  1.00   0.02   8.28) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.56 +/- 1.16   0.039% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.55 +/- 1.83   0.094% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.91 +/- 1.30   0.020% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.88 +/- 0.67   0.018% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.37 +/- 2.54   0.002% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.81 +/- 2.14   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  20.46 +/- 1.38   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.60 +/- 0.93   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.9:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.64 +/- 0.11  99.304% * 97.9320% (0.80  10.0 10.00   5.27 187.88) = 100.000%  kept
          HB    VAL   75 - HB2   LYS+  74   6.42 +/- 0.63   0.619% *  0.0302% (0.25   1.0  1.00   0.02  31.88) =   0.000%
        T QD1   LEU   67 - HB2   LYS+  74  11.83 +/- 1.07   0.015% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.45 +/- 1.04   0.010% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.75 +/- 0.69   0.044% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.87 +/- 0.95   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  15.50 +/- 1.65   0.003% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  15.05 +/- 1.53   0.004% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.9:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.51 +/- 0.44  99.829% * 97.4681% (0.80  10.0 10.00   6.31 187.88) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  11.21 +/- 0.98   0.021% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74   9.35 +/- 1.66   0.131% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.74 +/- 2.12   0.010% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  21.98 +/- 2.84   0.001% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.34 +/- 1.42   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.86 +/- 1.34   0.006% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.57 +/- 0.68   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.98 +/- 2.70   0.000% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.9:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.73 +/- 0.70  98.827% * 99.7560% (0.80 10.00   4.62 187.88) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.88 +/- 1.25   1.071% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  11.53 +/- 1.50   0.069% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.02 +/- 0.89   0.030% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.13 +/- 1.01   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.9:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.48 +/- 0.34  99.897% * 99.7790% (0.80  10.0 10.00   6.28 187.88) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.31 +/- 0.63   0.016% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.47 +/- 1.04   0.012% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.40 +/- 1.59   0.033% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.53 +/- 2.71   0.041% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.83 +/- 2.44   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.9:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.04  98.880% * 99.3145% (0.80  10.0 10.00   5.85 187.88) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.17 +/- 0.54   0.136% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.33 +/- 1.54   0.491% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  11.76 +/- 2.27   0.055% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.48 +/- 2.34   0.011% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.43 +/- 1.42   0.350% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.33 +/- 1.69   0.005% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.18 +/- 2.16   0.014% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.56 +/- 2.15   0.009% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.91 +/- 1.65   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.77 +/- 1.26   0.023% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.37 +/- 2.54   0.002% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.22 +/- 1.49   0.008% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.40 +/- 2.24   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  15.30 +/- 1.98   0.008% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.38 +/- 2.59   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.25 +/- 2.24   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  20.87 +/- 2.89   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.74 +/- 1.71   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.70 +/- 2.41   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 187.9:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.869% * 99.3075% (1.00  10.0 10.00   4.54 187.88) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.82 +/- 0.87   0.122% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  12.06 +/- 1.77   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.87 +/- 1.07   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.69 +/- 1.30   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.43 +/- 0.83   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.64 +/- 1.97   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.06 +/- 1.53   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.66 +/- 2.89   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  11.91 +/- 1.24   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.63 +/- 1.90   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  16.02 +/- 2.36   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.79 +/- 1.86   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.68 +/- 2.03   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.30 +/- 1.98   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.26 +/- 2.43   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.937, support = 5.53, residual support = 196.7:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.74 +/- 0.22  54.518% * 89.4618% (1.00  10.0 10.00   5.54 187.88) =  93.101%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.83 +/- 0.20  45.256% *  7.9861% (0.09  10.0 10.00   5.40 315.22) =   6.899%  kept
          QB    ALA   57 - HG2   LYS+  74   8.66 +/- 1.63   0.182% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  11.89 +/- 2.00   0.015% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.20 +/- 1.21   0.002% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.47 +/- 3.04   0.001% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.05 +/- 1.65   0.010% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.28 +/- 2.78   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.13 +/- 1.89   0.010% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.25 +/- 1.12   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.85 +/- 1.72   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.23 +/- 2.51   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.85 +/- 2.84   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.87 +/- 1.58   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.12 +/- 1.57   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.31 +/- 2.21   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.00 +/- 2.26   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.76 +/- 2.82   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.9:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.77 +/- 0.63  99.183% * 99.6238% (1.00  10.0 10.00   4.54 187.88) = 100.000%  kept
          HB2   PHE   72 - HG2   LYS+  74   7.75 +/- 1.19   0.552% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG2   LYS+  74  10.18 +/- 1.32   0.088% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  11.09 +/- 1.84   0.086% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  12.33 +/- 3.02   0.080% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.86 +/- 2.56   0.007% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.03 +/- 1.46   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.31 +/- 3.56   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.31 +/- 2.31   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.49 +/- 2.59   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.9:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.57 +/- 0.11  99.895% * 99.8966% (0.80  10.0 10.00   5.57 187.88) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.57 +/- 0.72   0.060% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.44 +/- 1.05   0.045% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.9:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.64 +/- 0.11  99.878% * 98.5261% (0.80  10.0 10.00   5.27 187.88) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.24 +/- 0.66   0.067% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.93 +/- 2.18   0.004% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.05 +/- 2.03   0.037% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.06 +/- 1.32   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.05 +/- 1.40   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  14.74 +/- 2.03   0.005% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.73 +/- 1.88   0.003% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.28 +/- 1.41   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.12 +/- 1.98   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.9:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.986% * 99.1206% (1.00  10.0 10.00   4.54 187.88) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.53 +/- 1.08   0.005% *  0.0915% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.73 +/- 2.06   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.14 +/- 1.68   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  12.51 +/- 1.31   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.66 +/- 2.89   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.12 +/- 0.94   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.70 +/- 2.04   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.76 +/- 1.25   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.18 +/- 1.30   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.9:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.92 +/- 0.13  99.098% * 99.2156% (1.00  10.0 10.00   4.97 187.88) =  99.999%  kept
          QB    ALA   57 - HG3   LYS+  74   8.27 +/- 1.73   0.816% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+  74  11.08 +/- 1.80   0.063% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  13.19 +/- 1.47   0.014% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.41 +/- 1.26   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  21.95 +/- 1.02   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.30 +/- 3.10   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.58 +/- 1.49   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.09 +/- 2.58   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.9:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.88 +/- 0.41  99.384% * 99.7560% (1.00  10.0 10.00   4.00 187.88) = 100.000%  kept
          HB2   PHE   72 - HG3   LYS+  74   7.91 +/- 0.89   0.473% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74  10.36 +/- 1.57   0.096% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.28 +/- 1.54   0.046% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.14 +/- 1.21   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.9:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.62 +/- 0.64  99.957% * 99.6012% (0.80 10.00   5.91 187.88) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  10.82 +/- 1.43   0.025% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.26 +/- 1.40   0.016% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.56 +/- 0.57   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.73 +/- 0.98   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.24 +/- 1.09   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.9:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.51 +/- 0.44  99.686% * 98.0482% (0.80  10.0 10.00   6.31 187.88) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.13 +/- 1.51   0.019% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.33 +/- 0.82   0.133% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.66 +/- 0.70   0.040% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.71 +/- 1.81   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.44 +/- 1.06   0.084% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.63 +/- 1.93   0.005% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.97 +/- 0.98   0.002% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.40 +/- 1.83   0.010% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.21 +/- 1.30   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  14.99 +/- 1.21   0.004% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.64 +/- 2.62   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.57 +/- 0.68   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.86 +/- 1.49   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.98 +/- 1.33   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.06 +/- 0.64   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  18.53 +/- 2.40   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.24 +/- 1.82   0.003% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.62 +/- 1.73   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.35 +/- 1.42   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 0.27 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.871, support = 5.52, residual support = 192.2:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.74 +/- 0.22  31.366% * 90.7641% (1.00  10.0 10.00   5.54 187.88) =  86.045%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  67.995% *  6.7893% (0.07  10.0 10.00   5.41 219.04) =  13.952%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.53 +/- 1.41   0.366% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HD2   LYS+  74   9.87 +/- 1.39   0.034% *  0.0838% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.70 +/- 0.55   0.158% *  0.0121% (0.13   1.0  1.00   0.02  27.89) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.87 +/- 1.99   0.055% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.58 +/- 1.47   0.007% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.72 +/- 1.26   0.004% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  18.28 +/- 2.78   0.001% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.05 +/- 1.12   0.009% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.49 +/- 1.56   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.60 +/- 0.89   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  14.79 +/- 2.25   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.25 +/- 1.12   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.37 +/- 1.01   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.47 +/- 1.39   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.00 +/- 2.26   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.95 +/- 1.50   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.38 +/- 1.06   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.60 +/- 3.00   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.9:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.92 +/- 0.13  97.021% * 99.2094% (1.00  10.0 10.00   4.97 187.88) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.20 +/- 1.19   2.439% *  0.0306% (0.31   1.0  1.00   0.02  31.88) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   8.16 +/- 0.88   0.272% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.82 +/- 0.86   0.043% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.57 +/- 1.10   0.031% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.35 +/- 1.10   0.021% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38   9.78 +/- 0.76   0.077% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.12 +/- 1.46   0.007% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.89 +/- 2.12   0.009% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.24 +/- 1.41   0.023% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.20 +/- 0.63   0.020% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.97 +/- 1.53   0.011% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.20 +/- 1.18   0.023% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  21.95 +/- 1.02   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.61 +/- 2.43   0.002% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.00 +/- 0.81   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.9:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.28 +/- 0.10  99.740% * 99.4851% (1.00  10.0 10.00   4.97 187.88) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.29 +/- 1.40   0.215% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74  10.00 +/- 1.47   0.027% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.60 +/- 1.23   0.008% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.96 +/- 1.68   0.008% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.05 +/- 0.72   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.57 +/- 1.26   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.22 +/- 0.91   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.03 +/- 1.46   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.10 +/- 0.81   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.9:
    *   T HA    LYS+  74 - QE    LYS+  74   2.76 +/- 0.50  99.863% * 99.8966% (0.80 10.00   4.93 187.88) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.31 +/- 0.98   0.091% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.61 +/- 0.98   0.045% *  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 = 187.9:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.73 +/- 0.70  99.544% * 99.4757% (0.80 10.00   4.62 187.88) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   9.10 +/- 0.45   0.153% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74   9.72 +/- 1.43   0.111% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.50 +/- 1.81   0.064% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.47 +/- 1.62   0.062% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  14.31 +/- 0.90   0.012% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.98 +/- 1.01   0.009% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  13.14 +/- 1.28   0.017% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.28 +/- 1.64   0.023% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.32 +/- 1.87   0.007% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.9:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.77 +/- 0.63  98.928% * 99.1206% (1.00  10.0 10.00   4.54 187.88) = 100.000%  kept
          HG13  ILE   19 - QE    LYS+  74   9.18 +/- 1.22   0.224% *  0.0915% (0.92   1.0  1.00   0.02   8.28) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.37 +/- 1.67   0.682% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.14 +/- 1.22   0.084% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.52 +/- 1.05   0.034% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.86 +/- 2.56   0.007% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.30 +/- 0.82   0.023% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  13.18 +/- 1.75   0.015% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  18.31 +/- 1.29   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  21.13 +/- 1.06   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.9:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.88 +/- 0.41  95.023% * 99.5285% (1.00  10.0 10.00   4.00 187.88) =  99.998%  kept
          HB    VAL   75 - QE    LYS+  74   5.82 +/- 1.12   4.699% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.002%
          QD1   LEU   67 - QE    LYS+  74  10.14 +/- 1.16   0.083% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.80 +/- 0.81   0.085% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.02 +/- 1.14   0.051% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  13.41 +/- 1.04   0.015% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  12.07 +/- 1.25   0.028% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  13.27 +/- 1.44   0.016% *  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 = 187.9:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.28 +/- 0.10  99.403% * 99.2156% (1.00  10.0 10.00   4.97 187.88) =  99.999%  kept
          QB    ALA   57 - QE    LYS+  74   6.69 +/- 1.27   0.562% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74   9.92 +/- 1.01   0.017% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.60 +/- 1.74   0.011% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.31 +/- 2.74   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.07 +/- 1.20   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.05 +/- 0.72   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.80 +/- 1.53   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.32 +/- 2.27   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HB    VAL   75 - HA    VAL   75   2.66 +/- 0.35  98.895% * 99.3939% (1.00  10.0 10.00   3.44  84.51) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   6.06 +/- 0.53   1.082% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.69 +/- 1.60   0.003% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.30 +/- 0.82   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.40 +/- 1.04   0.006% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.14 +/- 1.10   0.004% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.70 +/- 1.26   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - HA    VAL   75   2.71 +/- 0.23  99.995% * 99.9055% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.70 +/- 1.46   0.005% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG2   VAL   75 - HA    VAL   75   2.56 +/- 0.41  99.965% * 99.9036% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.88 +/- 0.79   0.035% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HA    VAL   75 - HB    VAL   75   2.66 +/- 0.35  99.976% * 99.7003% (1.00  10.0 10.00   3.44  84.51) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.72 +/- 1.80   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.86 +/- 1.87   0.002% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  12.89 +/- 1.25   0.014% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.87 +/- 1.07   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.51) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.73 +/- 1.73   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.986% * 99.0442% (1.00  10.0 10.00   3.31  84.51) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.78 +/- 0.92   0.014% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    VAL   75 - QG1   VAL   75   2.71 +/- 0.23  99.958% * 99.6578% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  11.99 +/- 0.67   0.016% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.70 +/- 1.17   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.33 +/- 0.94   0.014% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.90 +/- 1.48   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.876% * 99.7607% (1.00  10.0 10.00   3.44  84.51) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.86 +/- 0.63   0.108% *  0.0308% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.14 +/- 0.78   0.005% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.51 +/- 1.18   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.52 +/- 0.83   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  13.11 +/- 1.16   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.93 +/- 1.15   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG2   VAL   75 - QG1   VAL   75   2.09 +/- 0.02  99.984% * 99.9036% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.20 +/- 0.67   0.016% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    VAL   75 - QG2   VAL   75   2.56 +/- 0.41  99.931% * 99.8572% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.34 +/- 1.33   0.012% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  10.68 +/- 0.81   0.040% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.69 +/- 1.98   0.008% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  13.99 +/- 1.04   0.009% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.01  99.781% * 99.7607% (1.00  10.0 10.00   3.31  84.51) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.13 +/- 0.30   0.184% *  0.0308% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.52 +/- 0.81   0.015% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.99 +/- 0.93   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.66 +/- 1.03   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.30 +/- 1.74   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.42 +/- 1.19   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - QG2   VAL   75   2.09 +/- 0.02  99.995% * 99.9055% (1.00  10.0 10.00   4.00  84.51) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.52 +/- 1.33   0.005% *  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 = 2.87, residual support = 36.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.83 +/- 0.14  94.518% * 99.1090% (1.00  10.0 10.00   2.87  36.19) =  99.997%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.41 +/- 0.67   2.676% *  0.0720% (0.73   1.0  1.00   0.02   3.06) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.54 +/- 0.96   1.841% *  0.0362% (0.04   1.0 10.00   0.02  10.60) =   0.001%
          HB2   ASN   69 - HA    LEU   67   6.41 +/- 0.85   0.953% *  0.0159% (0.16   1.0  1.00   0.02   2.95) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.46 +/- 1.36   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.66 +/- 1.20   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  16.46 +/- 1.63   0.003% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.49 +/- 1.15   0.000% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.18 +/- 0.74   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.99 +/- 0.54   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.26 +/- 1.13   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  23.41 +/- 1.06   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.2:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.87 +/- 0.19  99.818% * 99.2676% (0.87  10.0 10.00   3.00  36.19) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  12.58 +/- 1.68   0.035% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.94 +/- 1.16   0.049% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  13.60 +/- 1.32   0.012% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  10.80 +/- 1.76   0.057% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.69 +/- 0.79   0.004% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.44 +/- 1.35   0.012% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  20.20 +/- 1.38   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.44 +/- 1.47   0.002% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  23.04 +/- 1.02   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  16.55 +/- 1.73   0.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.45 +/- 1.62   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.88 +/- 1.47   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  22.05 +/- 1.19   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.38 +/- 1.96   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  26.67 +/- 1.57   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 36.2:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.83 +/- 0.14  98.064% * 99.3094% (1.00  10.0 10.00   2.87  36.19) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.54 +/- 0.96   1.929% *  0.0515% (0.05   1.0 10.00   0.02  10.60) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  17.46 +/- 1.36   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.66 +/- 1.20   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  16.46 +/- 1.63   0.003% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.49 +/- 1.15   0.000% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 36.2:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.622% * 98.9845% (0.87  10.0 10.00   2.87  36.19) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.18 +/- 1.60   0.340% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   7.82 +/- 1.90   0.034% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.90 +/- 2.05   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.46 +/- 1.39   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.12 +/- 2.37   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.19 +/- 1.47   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.06 +/- 1.05   0.001% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  15.18 +/- 1.13   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  13.73 +/- 2.29   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.48 +/- 1.37   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  22.20 +/- 1.27   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.50 +/- 1.34   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.40 +/- 1.02   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.75 +/- 1.65   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  20.09 +/- 2.08   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.58 +/- 1.57   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.21 +/- 2.05   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.56 +/- 1.36   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.58 +/- 1.00   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.91 +/- 2.00   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.56 +/- 1.64   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  22.76 +/- 1.67   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.48 +/- 1.37   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.2:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.87 +/- 0.19 100.000% * 99.7513% (0.87  10.0 10.00   3.00  36.19) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  23.04 +/- 1.02   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 36.2:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.785% * 99.3726% (0.87  10.0 10.00   2.87  36.19) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.77 +/- 1.33   1.215% *  0.0722% (0.63   1.0  1.00   0.02   3.06) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  17.19 +/- 1.47   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.44 +/- 0.99   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.48 +/- 1.37   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.34 +/- 0.69   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HB    THR   77 - HA    THR   77   2.53 +/- 0.08  99.476% * 99.3000% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.35 +/- 0.20   0.414% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   9.10 +/- 1.65   0.063% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.48 +/- 0.75   0.023% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.10 +/- 1.45   0.017% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.32 +/- 1.16   0.002% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.77 +/- 1.39   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.99 +/- 1.88   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.96 +/- 0.68   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  31.28 +/- 3.77   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.20 +/- 1.57   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  28.85 +/- 3.14   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T QG2   THR   77 - HA    THR   77   2.42 +/- 0.10  99.922% * 99.7982% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.56 +/- 1.11   0.033% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.92 +/- 0.55   0.044% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.31 +/- 2.90   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.59 +/- 1.26   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.70 +/- 0.83   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.53 +/- 0.08  99.781% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   9.39 +/- 1.85   0.211% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.19 +/- 0.78   0.009% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.963% * 99.5496% (1.00  10.0 10.00   2.81  37.75) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.64 +/- 1.12   0.031% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  10.91 +/- 0.56   0.006% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.85 +/- 2.96   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.64 +/- 1.37   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.31 +/- 0.96   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - QG2   THR   77   2.42 +/- 0.10  99.504% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   6.77 +/- 1.27   0.456% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.19 +/- 0.80   0.040% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.767% * 99.3000% (1.00  10.0 10.00   2.81  37.75) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.07 +/- 0.64   0.096% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.32 +/- 1.56   0.044% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.43 +/- 0.20   0.061% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.07 +/- 1.54   0.013% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.98 +/- 0.90   0.007% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.43 +/- 1.25   0.011% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.45 +/- 1.52   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.40 +/- 0.65   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.06 +/- 1.32   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  26.41 +/- 2.80   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  24.20 +/- 2.38   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 = 3.18, residual support = 38.6:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.79 +/- 0.27  98.898% * 99.6931% (1.00  10.0 10.00   3.18  38.58) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.28 +/- 0.87   1.081% *  0.0724% (0.73   1.0  1.00   0.02   3.06) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.02 +/- 0.87   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.81 +/- 0.64   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.58 +/- 1.47   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  20.91 +/- 1.42   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.00 +/- 0.55   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.6:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.67 +/- 0.21  99.894% * 99.8720% (1.00  10.0 10.00   2.31  38.58) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.67 +/- 1.20   0.082% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.13 +/- 1.33   0.024% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.26 +/- 2.08   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.90 +/- 2.23   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 38.6:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.79 +/- 0.27  99.591% * 99.8154% (1.00  10.0 10.00   3.18  38.58) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   7.89 +/- 0.49   0.239% *  0.0486% (0.49   1.0  1.00   0.02   3.66) =   0.000%
          HA    THR   23 - HB2   ASP-  78   9.63 +/- 1.10   0.106% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  10.76 +/- 1.69   0.063% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.18 +/- 1.32   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 38.6:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.982% * 99.8720% (1.00  10.0 10.00   2.61  38.58) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.87 +/- 1.57   0.013% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.02 +/- 1.39   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.48 +/- 1.79   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.58 +/- 2.02   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.6:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.67 +/- 0.21  99.744% * 99.8154% (1.00  10.0 10.00   2.31  38.58) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.05 +/- 0.40   0.170% *  0.0486% (0.49   1.0  1.00   0.02   3.66) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.86 +/- 0.78   0.052% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  10.88 +/- 1.38   0.034% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.74 +/- 1.61   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 = 2.61, residual support = 38.6:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.779% * 99.6931% (1.00  10.0 10.00   2.61  38.58) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.60 +/- 0.98   0.221% *  0.0724% (0.73   1.0  1.00   0.02   3.06) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.11 +/- 0.88   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.53 +/- 0.61   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.48 +/- 1.69   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  19.69 +/- 1.38   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.64 +/- 0.85   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 = 4.26, residual support = 54.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.78 +/- 0.21  99.977% * 98.4729% (1.00  10.0 10.00   4.26  54.69) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  12.56 +/- 1.11   0.016% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  16.21 +/- 2.23   0.004% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  17.67 +/- 2.02   0.002% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  27.01 +/- 1.08   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.46 +/- 2.59   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  26.74 +/- 3.85   0.000% *  0.2455% (0.25   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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 54.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.53 +/- 0.24  99.999% * 99.7507% (1.00  10.0 10.00   3.49  54.69) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.79 +/- 1.29   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  22.27 +/- 1.08   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.97 +/- 1.49   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.29 +/- 1.99   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  29.61 +/- 1.41   0.000% *  0.0565% (0.57   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 = 4.26, residual support = 54.7:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.78 +/- 0.21  99.735% * 99.4064% (1.00  10.0 10.00   4.26  54.69) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.81 +/- 0.37   0.239% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.21 +/- 0.45   0.010% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  13.47 +/- 0.83   0.010% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.13 +/- 1.28   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.92 +/- 2.08   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  23.28 +/- 1.81   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.58 +/- 1.02   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  28.21 +/- 4.63   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 54.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.33 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.42  54.69) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.49 +/- 1.35   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  20.60 +/- 1.08   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  22.05 +/- 1.51   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.69 +/- 1.74   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  27.78 +/- 1.55   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 54.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.53 +/- 0.24  99.909% * 99.4064% (1.00  10.0 10.00   3.49  54.69) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.66 +/- 0.33   0.074% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.46 +/- 0.30   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  13.53 +/- 0.76   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.02 +/- 1.35   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.73 +/- 2.16   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  24.67 +/- 4.47   0.001% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.38 +/- 0.98   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  21.80 +/- 1.54   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 54.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.33 +/- 0.10  99.964% * 99.5443% (1.00  10.0 10.00   3.42  54.69) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   9.43 +/- 1.38   0.033% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.94 +/- 2.00   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  17.14 +/- 1.75   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.47 +/- 2.25   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.16 +/- 1.20   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.91 +/- 3.86   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 = 5.49, residual support = 77.5:
    *   T QD1   LEU   80 - HA    LEU   80   2.65 +/- 0.62  99.942% * 98.6414% (0.65 10.00   5.49  77.48) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  15.16 +/- 2.14   0.006% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  11.23 +/- 1.59   0.039% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  14.29 +/- 2.01   0.010% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.43 +/- 1.57   0.001% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.65 +/- 1.72   0.002% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 77.5:
    * O   HA    LEU   80 - HB2   LEU   80   2.81 +/- 0.33  93.541% * 99.6992% (1.00  10.0   4.89  77.48) =  99.994%  kept
          HA    THR   23 - HB2   LEU   80   5.32 +/- 1.80   4.948% *  0.0798% (0.80   1.0   0.02   7.37) =   0.004%
          HB    THR   23 - HB2   LEU   80   6.83 +/- 1.79   0.980% *  0.0962% (0.97   1.0   0.02   7.37) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   7.08 +/- 0.62   0.531% *  0.0485% (0.49   1.0   0.02   3.66) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  22.22 +/- 2.67   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.32, residual support = 77.5:
    * O T QD1   LEU   80 - HB2   LEU   80   2.60 +/- 0.42  99.904% * 97.5236% (0.65  10.0 10.00   4.32  77.48) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  12.78 +/- 2.20   0.012% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  13.52 +/- 2.34   0.013% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.82 +/- 1.85   0.064% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  17.59 +/- 2.06   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.79 +/- 2.16   0.004% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.629, support = 5.02, residual support = 67.8:
    *   T HA    LEU   80 - QD1   LEU   80   2.65 +/- 0.62  32.962% * 85.0493% (0.65 10.00   5.49  77.48) =  86.221%  kept
          HA    THR   23 - QD1   LEU   80   3.00 +/- 2.38  55.674% *  7.2738% (0.52  1.00   2.14   7.37) =  12.455%  kept
          HB    THR   23 - QD1   LEU   80   4.25 +/- 2.43   6.917% *  4.9052% (0.62  1.00   1.20   7.37) =   1.044%  kept
          HA    ASP-  78 - QD1   LEU   80   6.34 +/- 1.00   4.404% *  2.0722% (0.31  1.00   1.00   3.66) =   0.281%
          HA    ASP- 105 - QD2   LEU   98   8.63 +/- 0.87   0.037% *  0.0373% (0.28  1.00   0.02   0.62) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  15.16 +/- 2.14   0.001% *  0.4875% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.64 +/- 1.64   0.002% *  0.0390% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  15.03 +/- 1.71   0.001% *  0.0470% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  19.42 +/- 2.17   0.000% *  0.0650% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.46 +/- 1.65   0.001% *  0.0237% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.1:
    * O T QB    LYS+  81 - HA    LYS+  81   2.38 +/- 0.06  99.948% * 97.5498% (1.00  10.0 10.00   4.97 107.05) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.35 +/- 1.16   0.040% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  18.12 +/- 2.98   0.002% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.55 +/- 2.48   0.006% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.48 +/- 2.08   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  17.81 +/- 2.04   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  17.57 +/- 2.08   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.12 +/- 2.18   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.79 +/- 2.06   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  30.71 +/- 1.47   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  23.53 +/- 3.19   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  24.87 +/- 2.54   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  29.86 +/- 2.10   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.35 +/- 1.53   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  31.72 +/- 1.88   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 = 5.12, residual support = 107.1:
    * O T QG    LYS+  81 - HA    LYS+  81   2.40 +/- 0.14  99.996% * 98.1658% (1.00  10.0 10.00   5.12 107.05) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  21.35 +/- 2.38   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.78 +/- 2.19   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.04 +/- 1.13   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  23.08 +/- 2.84   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.1:
    *   T QD    LYS+  81 - HA    LYS+  81   3.46 +/- 0.61  99.970% * 99.7569% (1.00 10.00   3.44 107.05) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  14.90 +/- 2.06   0.028% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  26.78 +/- 2.18   0.001% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  24.34 +/- 1.26   0.001% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.0:
    *   T QE    LYS+  81 - HA    LYS+  81   3.47 +/- 0.66  93.105% * 99.9825% (1.00 10.00   3.44 107.05) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  12.23 +/- 3.50   6.895% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.1:
    * O T HA    LYS+  81 - QB    LYS+  81   2.38 +/- 0.06  99.871% * 98.7606% (1.00  10.0 10.00   4.97 107.05) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.63 +/- 0.30   0.096% *  0.0733% (0.07   1.0 10.00   0.02   1.75) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  17.87 +/- 2.78   0.002% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  11.41 +/- 2.17   0.027% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.48 +/- 2.08   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  15.12 +/- 2.03   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  22.90 +/- 1.78   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.79 +/- 2.10   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  21.73 +/- 2.10   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  33.22 +/- 2.08   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.72 +/- 0.81   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  26.24 +/- 2.33   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  24.96 +/- 1.47   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.41 +/- 1.92   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 107.1:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.03  99.942% * 97.8497% (1.00  10.0 10.00   5.15 107.05) = 100.000%  kept
          HB3   LYS+ 111 - HB3   PRO   52   9.04 +/- 2.46   0.053% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  21.17 +/- 2.07   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  16.20 +/- 2.27   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  16.82 +/- 2.36   0.001% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.41 +/- 1.89   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.21 +/- 1.02   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.37 +/- 1.58   0.002% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  22.62 +/- 2.70   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.87 +/- 2.06   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 107.1:
    * O T QD    LYS+  81 - QB    LYS+  81   2.32 +/- 0.10  99.995% * 99.6151% (1.00  10.0 10.00   3.74 107.05) = 100.000%  kept
        T QD    LYS+  81 - HB3   PRO   52  16.02 +/- 2.16   0.002% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QB    LYS+  81  15.35 +/- 1.72   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.57 +/- 1.74   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  25.81 +/- 1.86   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.05 +/- 0.77   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.28 +/- 2.32   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.27 +/- 1.67   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 107.1:
    *     QE    LYS+  81 - QB    LYS+  81   2.25 +/- 0.37  99.760% * 99.8347% (1.00   3.74 107.05) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  11.84 +/- 3.16   0.215% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  10.71 +/- 1.33   0.023% *  0.0107% (0.02   0.02   2.31) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.97 +/- 2.63   0.002% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 107.1:
    * O T HA    LYS+  81 - QG    LYS+  81   2.40 +/- 0.14  99.848% * 98.8267% (1.00  10.0 10.00   5.12 107.05) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.08 +/- 0.56   0.080% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.91 +/- 0.67   0.047% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  16.21 +/- 2.88   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.78 +/- 2.19   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  21.35 +/- 2.38   0.000% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.81 +/- 1.00   0.015% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  15.02 +/- 1.38   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.86 +/- 3.06   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  26.53 +/- 1.47   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  25.67 +/- 5.12   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.97 +/- 1.53   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.76 +/- 1.92   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.24 +/- 1.51   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.81 +/- 2.08   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  20.63 +/- 1.32   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.44 +/- 2.28   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.42 +/- 2.08   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  32.03 +/- 2.00   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.26 +/- 0.86   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.85 +/- 1.13   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.817, support = 5.27, residual support = 118.5:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  44.551% * 57.8388% (1.00  10.0 10.00   5.15 107.05) =  70.267%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  27.982% * 26.7248% (0.46  10.0 10.00   5.67 149.82) =  20.392%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  26.974% * 12.6979% (0.22  10.0 10.00   5.33 135.76) =   9.340%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.68 +/- 1.69   0.239% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.68 +/- 0.76   0.164% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.48 +/- 0.63   0.071% *  0.0114% (0.20   1.0  1.00   0.02  21.79) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.62 +/- 1.61   0.009% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  15.91 +/- 3.06   0.004% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.33 +/- 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  19.04 +/- 1.32   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.41 +/- 1.25   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.20 +/- 2.27   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.45 +/- 1.42   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.33 +/- 2.46   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.41 +/- 1.89   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.09 +/- 1.31   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  16.82 +/- 2.36   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.47 +/- 2.29   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  21.17 +/- 2.07   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.34 +/- 1.27   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.28 +/- 1.22   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.92 +/- 1.57   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.67 +/- 1.56   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.42 +/- 1.40   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.54 +/- 3.38   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.83 +/- 2.45   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.76 +/- 1.76   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.64 +/- 2.08   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.04 +/- 1.57   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.67 +/- 1.85   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.03 +/- 1.61   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.42 +/- 1.61   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.80 +/- 0.94   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.73 +/- 1.82   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.64 +/- 2.19   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.87 +/- 2.06   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.77 +/- 1.18   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.90 +/- 1.28   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.25 +/- 1.67   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.54 +/- 2.21   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.10 +/- 1.23   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.37 +/- 1.86   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  26.41 +/- 3.64   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.05 +/- 1.85   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.99 +/- 1.20   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 107.1:
    * O T QD    LYS+  81 - QG    LYS+  81   2.05 +/- 0.01  99.969% * 98.8994% (1.00  10.0 10.00   3.99 107.05) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.19 +/- 1.28   0.018% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.02 +/- 1.59   0.009% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.70 +/- 1.35   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.21 +/- 1.16   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.48 +/- 1.60   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.32 +/- 1.25   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  21.47 +/- 1.97   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.80 +/- 1.61   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.46 +/- 0.68   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  25.34 +/- 1.38   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.75 +/- 1.81   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 = 3.99, residual support = 107.1:
    * O   QE    LYS+  81 - QG    LYS+  81   2.29 +/- 0.16  98.295% * 99.9005% (1.00  10.0   3.99 107.05) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  10.60 +/- 3.28   1.703% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.94 +/- 3.43   0.002% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.95 +/- 1.28   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  21.40 +/- 2.25   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.49 +/- 1.49   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.1:
    *   T HA    LYS+  81 - QD    LYS+  81   3.46 +/- 0.61  99.863% * 99.7133% (1.00 10.00   3.44 107.05) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  16.07 +/- 2.89   0.121% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  16.54 +/- 1.38   0.012% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  28.01 +/- 1.39   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  22.21 +/- 2.05   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.84 +/- 2.09   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.03 +/- 1.19   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 107.1:
    * O T QB    LYS+  81 - QD    LYS+  81   2.32 +/- 0.10  99.893% * 98.9997% (1.00  10.0 10.00   3.74 107.05) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.21 +/- 1.99   0.077% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  15.61 +/- 3.02   0.020% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  16.02 +/- 2.16   0.002% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.37 +/- 2.35   0.006% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  17.97 +/- 1.81   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.65 +/- 2.31   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.37 +/- 1.26   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.82 +/- 1.25   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  23.74 +/- 2.46   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  24.43 +/- 2.03   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  21.99 +/- 2.02   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.77 +/- 1.12   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  29.12 +/- 1.26   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.68 +/- 2.03   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 = 3.99, residual support = 107.1:
    * O T QG    LYS+  81 - QD    LYS+  81   2.05 +/- 0.01  99.998% * 98.1658% (1.00  10.0 10.00   3.99 107.05) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  21.47 +/- 1.97   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.32 +/- 1.25   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  13.26 +/- 1.43   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.86 +/- 2.61   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 107.1:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.876% * 99.9825% (1.00  10.0   3.00 107.05) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  10.01 +/- 2.85   0.124% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.1:
    *   T HA    LYS+  81 - QE    LYS+  81   3.47 +/- 0.66  99.903% * 99.7133% (1.00 10.00   3.44 107.05) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  16.46 +/- 3.06   0.081% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  16.86 +/- 1.46   0.012% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  28.44 +/- 1.39   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  22.33 +/- 2.02   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  33.20 +/- 2.22   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.62 +/- 1.28   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.9:
    * O T HB2   SER   82 - HA    SER   82   2.78 +/- 0.09  99.050% * 97.1708% (0.95  10.0 10.00   2.96  34.86) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25  10.47 +/- 3.24   0.099% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.52 +/- 0.33   0.624% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.03 +/- 0.25   0.179% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.71 +/- 2.21   0.005% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.21 +/- 0.47   0.024% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.33 +/- 1.75   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.28 +/- 0.54   0.009% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  18.37 +/- 3.26   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.28 +/- 1.08   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.35 +/- 2.15   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  27.20 +/- 2.48   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.17 +/- 0.41   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  21.60 +/- 3.84   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.07 +/- 2.03   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.75 +/- 1.75   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  24.45 +/- 3.64   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.82 +/- 1.13   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  30.16 +/- 2.00   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  29.79 +/- 2.32   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.9:
    * O T HB3   SER   82 - HA    SER   82   2.92 +/- 0.11  99.696% * 98.8194% (1.00  10.0 10.00   2.00  34.86) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25  10.16 +/- 3.30   0.147% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.78 +/- 0.35   0.041% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.27 +/- 0.26   0.100% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.12 +/- 2.20   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.26 +/- 2.40   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  20.01 +/- 3.13   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  16.95 +/- 0.81   0.003% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.16 +/- 0.62   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.19 +/- 1.54   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  20.09 +/- 2.53   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  22.84 +/- 1.42   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  25.95 +/- 3.15   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  27.49 +/- 3.15   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.68 +/- 3.00   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  27.21 +/- 2.04   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.23 +/- 1.25   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.47 +/- 2.13   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.9:
    * O T HA    SER   82 - HB2   SER   82   2.78 +/- 0.09  99.718% * 97.8439% (0.95  10.0 10.00   2.96  34.86) =  99.999%  kept
        T HA    GLU-  25 - HB2   SER   82  10.47 +/- 3.24   0.099% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    SER   48  15.71 +/- 2.21   0.005% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.08 +/- 1.28   0.141% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.33 +/- 1.75   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.79 +/- 0.74   0.019% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.28 +/- 1.08   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  12.96 +/- 0.52   0.010% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  27.20 +/- 2.48   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.74 +/- 2.03   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.71 +/- 2.03   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.04 +/- 1.53   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.04 +/- 1.55   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.83 +/- 1.07   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.04 +/- 1.33   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.9:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.816% * 96.7159% (0.95  10.0 10.00   2.33  34.86) = 100.000%  kept
        T HD3   PRO   52 - HA    SER   48   8.71 +/- 0.71   0.008% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    VAL   70   6.20 +/- 0.88   0.080% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   9.83 +/- 0.96   0.004% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   6.75 +/- 1.45   0.087% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  13.56 +/- 1.49   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.66 +/- 2.04   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.58 +/- 1.87   0.002% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.52 +/- 0.30   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.32 +/- 2.19   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.60 +/- 0.93   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  18.17 +/- 3.39   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  25.60 +/- 3.18   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.44 +/- 1.49   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.03 +/- 1.93   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  24.65 +/- 3.41   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.59 +/- 2.01   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  26.91 +/- 3.24   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  25.92 +/- 3.38   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.31 +/- 1.64   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.92 +/- 1.22   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.90 +/- 2.10   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.29 +/- 0.94   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  24.30 +/- 2.56   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  27.52 +/- 2.16   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.98 +/- 0.95   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  22.05 +/- 1.13   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.9:
    * O T HA    SER   82 - HB3   SER   82   2.92 +/- 0.11  99.851% * 99.1601% (1.00  10.0 10.00   2.00  34.86) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82  10.16 +/- 3.30   0.147% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  21.14 +/- 1.45   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.79 +/- 2.29   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.02 +/- 1.52   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.9:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  34.86) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82   9.89 +/- 0.17   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.66 +/- 2.04   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  15.80 +/- 3.71   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.52 +/- 1.76   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  19.16 +/- 4.31   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  25.60 +/- 3.18   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  21.46 +/- 2.39   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  22.00 +/- 4.18   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  30.07 +/- 2.10   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 = 86.9:
    * O T HB    VAL   83 - HA    VAL   83   2.95 +/- 0.13  99.983% * 96.5761% (0.90  10.0 10.00   3.97  86.93) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.44 +/- 2.06   0.006% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.67 +/- 1.30   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  23.86 +/- 4.08   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.45 +/- 2.11   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.09 +/- 1.74   0.003% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  20.85 +/- 4.69   0.002% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  18.87 +/- 3.60   0.002% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  26.83 +/- 2.97   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  25.19 +/- 3.35   0.001% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  31.63 +/- 3.15   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  32.17 +/- 3.33   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 86.9:
    * O T QG1   VAL   83 - HA    VAL   83   2.23 +/- 0.11  99.384% * 99.5865% (0.87  10.0 10.00   4.25  86.93) = 100.000%  kept
          QD2   LEU   80 - HA    VAL   83   5.62 +/- 0.61   0.490% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    VAL   83   7.34 +/- 0.90   0.117% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  11.76 +/- 2.72   0.008% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  19.58 +/- 4.19   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.97 +/- 2.41   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.64 +/- 2.47   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 86.9:
    * O T QG2   VAL   83 - HA    VAL   83   2.64 +/- 0.23  98.848% * 99.8380% (1.00  10.0 10.00   4.38  86.93) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   6.52 +/- 1.03   1.067% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83  11.34 +/- 4.00   0.085% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 86.9:
    * O T HA    VAL   83 - HB    VAL   83   2.95 +/- 0.13  99.993% * 97.8171% (0.90  10.0 10.00   3.97  86.93) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  22.54 +/- 3.84   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.99 +/- 1.26   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.14 +/- 1.63   0.005% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  22.82 +/- 3.50   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.3, residual support = 86.9:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  91.866% * 99.5865% (0.78  10.0 10.00   4.30  86.93) =  99.992%  kept
          QD2   LEU   80 - HB    VAL   83   3.56 +/- 0.75   7.910% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.008%
          QG2   ILE   89 - HB    VAL   83   6.50 +/- 0.83   0.210% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83  10.14 +/- 2.38   0.013% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  18.80 +/- 3.55   0.001% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  16.26 +/- 2.21   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.10 +/- 2.36   0.000% *  0.0877% (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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 86.9:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.495% * 99.8380% (0.90  10.0 10.00   4.45  86.93) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.25 +/- 1.40   0.479% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83  10.29 +/- 3.48   0.026% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 86.9:
    * O T HA    VAL   83 - QG1   VAL   83   2.23 +/- 0.11  99.997% * 99.7372% (0.87  10.0 10.00   4.25  86.93) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  18.11 +/- 3.84   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.16 +/- 1.33   0.001% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  19.71 +/- 1.08   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  18.21 +/- 3.56   0.000% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.3, residual support = 86.9:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.988% * 99.3915% (0.78  10.0 10.00   4.30  86.93) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.60 +/- 1.92   0.006% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.84 +/- 3.03   0.002% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.07 +/- 1.16   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.39 +/- 1.61   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  16.95 +/- 3.75   0.001% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  18.63 +/- 3.42   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.06 +/- 2.04   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  21.77 +/- 2.55   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.48 +/- 2.97   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  25.54 +/- 2.79   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.96 +/- 2.94   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.74, residual support = 86.9:
    * O T QG2   VAL   83 - QG1   VAL   83   2.06 +/- 0.05  99.607% * 99.0399% (0.87  10.0 10.00   4.74  86.93) =  99.998%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.29 +/- 1.02   0.214% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG1   VAL   83   7.95 +/- 3.43   0.179% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 86.9:
    * O T HA    VAL   83 - QG2   VAL   83   2.64 +/- 0.23  99.987% * 99.7372% (1.00  10.0 10.00   4.38  86.93) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  13.42 +/- 1.43   0.008% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  17.88 +/- 3.31   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  18.12 +/- 1.13   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  18.30 +/- 3.13   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 86.9:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.980% * 99.3915% (0.90  10.0 10.00   4.45  86.93) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.61 +/- 2.03   0.010% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.32 +/- 1.74   0.004% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.85 +/- 1.18   0.002% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  16.25 +/- 3.42   0.001% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.47 +/- 2.87   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.36 +/- 2.01   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.61 +/- 2.98   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.30 +/- 3.07   0.001% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  20.11 +/- 2.58   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.99 +/- 2.80   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.42 +/- 2.94   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.74, residual support = 86.9:
    * O T QG1   VAL   83 - QG2   VAL   83   2.06 +/- 0.05  87.428% * 99.3306% (0.87  10.0 10.00   4.74  86.93) =  99.980%  kept
          QD2   LEU   80 - QG2   VAL   83   3.53 +/- 0.89   9.523% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.010%
        T QG2   ILE   89 - QG2   VAL   83   4.97 +/- 1.16   2.999% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.010%
          QD1   LEU   73 - QG2   VAL   83   8.12 +/- 2.22   0.043% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  14.77 +/- 3.35   0.004% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.98 +/- 2.19   0.002% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.33 +/- 2.22   0.001% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.82, residual support = 17.9:
    * O T QB    ALA   84 - HA    ALA   84   2.13 +/- 0.01  99.391% * 99.1332% (0.93  10.0 10.00   2.82  17.90) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   5.76 +/- 0.98   0.597% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.51 +/- 1.80   0.007% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  13.41 +/- 2.04   0.002% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  17.51 +/- 3.43   0.001% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.47 +/- 2.62   0.001% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  16.99 +/- 2.94   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  18.18 +/- 3.08   0.000% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  20.30 +/- 1.86   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.31 +/- 2.75   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  18.20 +/- 2.43   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  22.99 +/- 2.97   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.97 +/- 2.58   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  24.35 +/- 3.56   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  24.97 +/- 2.94   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  24.88 +/- 1.73   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  27.31 +/- 3.17   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.82, residual support = 17.9:
    * O T HA    ALA   84 - QB    ALA   84   2.13 +/- 0.01  97.112% * 99.6067% (0.93  10.0 10.00   2.82  17.90) =  99.997%  kept
          HB2   TRP   49 - QB    ALA   84  10.61 +/- 2.73   2.886% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QB    ALA   84  14.67 +/- 1.92   0.001% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  20.60 +/- 1.70   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  20.99 +/- 1.61   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.39 +/- 0.09  46.604% * 98.0072% (1.00  10.0 10.00   2.28  18.14) =  99.968%  kept
          HA    ALA   88 - HA    SER   85   2.34 +/- 0.08  53.389% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.032%
        T QB    SER   48 - HA    SER   85  13.00 +/- 1.57   0.003% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.09 +/- 1.75   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  13.59 +/- 2.36   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  19.81 +/- 2.02   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.41 +/- 1.50   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  24.97 +/- 2.00   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  23.79 +/- 3.62   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  30.02 +/- 1.51   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.53 +/- 2.21   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  31.76 +/- 1.97   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  31.16 +/- 2.38   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T HA    SER   85 - QB    SER   85   2.39 +/- 0.09  94.487% * 96.1605% (1.00  10.0 10.00   2.28  18.14) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.08 +/- 0.20   4.420% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.002%
          HB    THR   77 - QB    SER   48   7.06 +/- 1.89   0.535% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.71 +/- 2.90   0.394% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.66 +/- 1.55   0.061% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.61 +/- 0.74   0.051% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.00 +/- 1.57   0.005% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.30 +/- 0.58   0.016% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  14.44 +/- 1.74   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.67 +/- 1.93   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  21.10 +/- 3.61   0.000% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  15.84 +/- 1.99   0.001% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.06 +/- 0.47   0.004% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.71 +/- 2.44   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.02 +/- 2.14   0.001% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.47 +/- 1.47   0.012% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.57 +/- 1.09   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  26.10 +/- 3.10   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.22 +/- 1.59   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.89 +/- 1.67   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  24.97 +/- 2.00   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.85 +/- 0.56   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.08 +/- 0.88   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.68 +/- 0.99   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.85 +/- 2.14   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.67 +/- 4.64   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  28.31 +/- 2.57   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.88 +/- 3.94   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.79 +/- 2.21   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  30.46 +/- 3.71   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  26.19 +/- 1.99   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  28.19 +/- 3.24   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  25.33 +/- 2.33   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.19 +/- 1.54   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.62 +/- 2.23   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  29.60 +/- 2.19   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 41.9:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.00 +/- 0.14  99.981% * 99.6568% (1.00  10.0 10.00   3.50  41.92) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  15.41 +/- 3.54   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.30 +/- 1.22   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  22.78 +/- 5.56   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  21.60 +/- 3.33   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  27.14 +/- 1.87   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.60 +/- 0.16  99.986% * 98.9853% (1.00  10.0 10.00   2.00  41.92) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  12.92 +/- 2.35   0.009% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  16.27 +/- 4.48   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  19.59 +/- 3.28   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  28.40 +/- 1.90   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.54 +/- 2.53   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  21.55 +/- 2.98   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  27.31 +/- 4.81   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 41.9:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.00 +/- 0.14  97.661% * 99.5343% (1.00  10.0 10.00   3.50  41.92) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.71 +/- 0.20   2.196% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86   9.80 +/- 1.54   0.120% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  13.97 +/- 3.33   0.017% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  18.35 +/- 5.00   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  21.73 +/- 5.05   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  28.50 +/- 3.80   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  32.52 +/- 5.05   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.73 +/- 5.74   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.994% * 99.6638% (1.00  10.0 10.00   2.87  41.92) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.46 +/- 2.72   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  14.03 +/- 4.66   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  17.80 +/- 3.15   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.61 +/- 2.59   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  19.22 +/- 3.38   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  25.75 +/- 2.38   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  25.38 +/- 4.68   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.60 +/- 0.16  99.124% * 99.5343% (1.00  10.0 10.00   2.00  41.92) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   5.97 +/- 0.39   0.846% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  10.65 +/- 1.00   0.024% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  14.97 +/- 2.69   0.004% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  18.84 +/- 4.79   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  22.31 +/- 4.82   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  28.91 +/- 3.51   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.77 +/- 4.85   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  34.88 +/- 5.60   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.87  41.92) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  13.34 +/- 3.32   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.31 +/- 1.57   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  20.79 +/- 5.30   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  19.58 +/- 3.22   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.47 +/- 1.91   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.3:
    * O T HB2   TRP   87 - HA    TRP   87   2.23 +/- 0.03 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.34) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  21.25 +/- 2.57   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.3:
    * O T HB3   TRP   87 - HA    TRP   87   2.89 +/- 0.07  99.997% * 99.8563% (1.00  10.0 10.00   4.31  74.34) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  18.13 +/- 2.44   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  27.39 +/- 2.34   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.3:
    * O T HA    TRP   87 - HB2   TRP   87   2.23 +/- 0.03  99.999% * 99.8808% (1.00  10.0 10.00   4.31  74.34) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  19.31 +/- 5.32   0.001% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  22.69 +/- 2.99   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  29.89 +/- 4.33   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.3:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  74.34) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  18.02 +/- 2.41   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  25.58 +/- 2.66   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.3:
    * O T HA    TRP   87 - HB3   TRP   87   2.89 +/- 0.07  99.997% * 99.3033% (1.00  10.0 10.00   4.31  74.34) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  21.99 +/- 2.62   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  19.90 +/- 4.65   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  29.38 +/- 3.91   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.3:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.34) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  18.64 +/- 2.77   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 11.8:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  99.941% * 99.6403% (1.00  10.0 10.00   2.27  11.80) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   8.07 +/- 1.57   0.050% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.26 +/- 0.75   0.009% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  21.03 +/- 2.46   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  20.64 +/- 3.36   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  28.02 +/- 3.18   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  30.72 +/- 3.60   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  24.00 +/- 1.83   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 11.8:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  99.476% * 97.3461% (1.00  10.0 10.00   2.27  11.80) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.15 +/- 0.19   0.511% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.61 +/- 0.19   0.007% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  13.75 +/- 1.79   0.004% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.70 +/- 1.47   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  21.28 +/- 2.90   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  20.12 +/- 2.20   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  21.18 +/- 1.79   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  24.02 +/- 2.76   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  25.63 +/- 1.45   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.24 +/- 1.96   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.2:
    * O T HB    ILE   89 - HA    ILE   89   2.98 +/- 0.06  99.819% * 99.6008% (0.80  10.0 10.00   5.44 217.21) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  12.68 +/- 2.39   0.025% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89   9.96 +/- 1.49   0.145% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  14.65 +/- 2.16   0.010% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  23.46 +/- 2.59   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  23.63 +/- 2.62   0.000% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.37, residual support = 217.2:
    * O T QG2   ILE   89 - HA    ILE   89   2.39 +/- 0.20  99.953% * 99.9320% (1.00  10.0 10.00   6.37 217.21) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.03 +/- 0.60   0.046% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  18.98 +/- 2.80   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 217.2:
    * O T HG12  ILE   89 - HA    ILE   89   2.93 +/- 0.48  99.976% * 99.3078% (1.00  10.0 10.00   5.86 217.21) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   89  14.58 +/- 2.03   0.015% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   89  16.70 +/- 2.22   0.004% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  25.58 +/- 2.67   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  20.70 +/- 3.68   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  22.68 +/- 2.77   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  22.60 +/- 2.52   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.66 +/- 2.36   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.2:
    * O T HA    ILE   89 - HB    ILE   89   2.98 +/- 0.06  99.798% * 99.2091% (0.80  10.0 10.00   5.44 217.21) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  12.68 +/- 2.39   0.025% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89  10.13 +/- 1.02   0.079% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.87 +/- 0.72   0.017% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.50 +/- 1.94   0.017% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.21 +/- 1.65   0.018% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  15.43 +/- 3.50   0.012% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  20.13 +/- 2.35   0.001% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.06 +/- 0.83   0.004% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.27 +/- 0.69   0.022% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  24.41 +/- 2.68   0.000% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.39 +/- 2.04   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  27.02 +/- 2.36   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  20.86 +/- 2.15   0.001% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  28.43 +/- 2.77   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.23 +/- 1.91   0.003% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 217.2:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  99.727% * 99.5317% (0.80  10.0 10.00   5.84 217.21) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   9.41 +/- 1.95   0.022% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.54 +/- 1.14   0.075% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43   9.99 +/- 1.62   0.074% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   9.55 +/- 3.38   0.101% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  19.15 +/- 3.51   0.001% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 217.2:
    * O T HG12  ILE   89 - HB    ILE   89   2.62 +/- 0.22  99.842% * 98.9436% (0.80  10.0 10.00   5.20 217.21) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43  12.34 +/- 2.87   0.017% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.86 +/- 0.86   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.64 +/- 0.71   0.052% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  13.47 +/- 1.70   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.88 +/- 0.97   0.028% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.96 +/- 2.60   0.003% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.50 +/- 0.96   0.031% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  25.56 +/- 3.15   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.00 +/- 1.31   0.009% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.69 +/- 1.93   0.002% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  21.33 +/- 3.75   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  21.86 +/- 2.70   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  21.86 +/- 2.44   0.000% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  21.47 +/- 2.10   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.47 +/- 2.31   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.37, residual support = 217.2:
    * O T HA    ILE   89 - QG2   ILE   89   2.39 +/- 0.20  99.924% * 99.5272% (1.00  10.0 10.00   6.37 217.21) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.55 +/- 0.71   0.042% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.97 +/- 1.49   0.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  15.32 +/- 1.80   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  19.64 +/- 1.90   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  21.96 +/- 1.75   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.92 +/- 2.29   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.02 +/- 1.52   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 217.2:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  99.880% * 99.0138% (0.80  10.0 10.00   5.84 217.21) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   9.41 +/- 1.95   0.022% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.45 +/- 1.05   0.089% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.95 +/- 1.67   0.008% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  18.80 +/- 2.05   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.99 +/- 2.22   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 217.2:
    * O T HG12  ILE   89 - QG2   ILE   89   3.05 +/- 0.24  99.819% * 99.3078% (1.00  10.0 10.00   6.29 217.21) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89  10.07 +/- 1.46   0.135% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  13.53 +/- 2.02   0.022% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  20.58 +/- 2.21   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  16.18 +/- 2.97   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  17.40 +/- 2.06   0.004% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.36 +/- 1.89   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.99 +/- 1.67   0.004% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 217.2:
    * O T HA    ILE   89 - HG12  ILE   89   2.93 +/- 0.48  99.623% * 98.5945% (1.00  10.0 10.00   5.86 217.21) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   9.20 +/- 1.53   0.184% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.35 +/- 1.44   0.122% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.83 +/- 1.67   0.042% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.61 +/- 2.01   0.011% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.56 +/- 2.16   0.005% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  25.58 +/- 2.67   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  20.12 +/- 2.75   0.001% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.99 +/- 2.22   0.002% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  24.32 +/- 3.00   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.95 +/- 1.57   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  26.90 +/- 2.96   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  20.91 +/- 2.84   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  28.85 +/- 3.32   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  27.41 +/- 4.10   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.87 +/- 2.51   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.685, support = 5.3, residual support = 209.9:
    * O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.22  34.801% * 78.0851% (0.80  10.0 10.00   5.20 217.21) =  83.472%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.47 +/- 0.16  49.087% *  6.1021% (0.06  10.0 10.00   6.44 173.09) =   9.201%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.98 +/- 0.16  16.072% * 14.8429% (0.15  10.0  1.00   5.08 173.09) =   7.328%  kept
        T HB    VAL   43 - HG12  ILE   89  12.34 +/- 2.87   0.005% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.57 +/- 1.85   0.031% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.86 +/- 0.86   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.49 +/- 2.00   0.001% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.70 +/- 1.51   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  25.56 +/- 3.15   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  23.28 +/- 3.26   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.09 +/- 3.19   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.82 +/- 1.49   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 217.2:
    * O T QG2   ILE   89 - HG12  ILE   89   3.05 +/- 0.24  74.855% * 99.5013% (1.00  10.0 10.00   6.29 217.21) =  99.997%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.41 +/- 1.96  24.460% *  0.0062% (0.06   1.0  1.00   0.02  16.88) =   0.002%
          QG1   VAL   83 - HG12  ILE   89   7.50 +/- 1.27   0.679% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  20.58 +/- 2.21   0.001% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  18.85 +/- 3.44   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  19.57 +/- 3.69   0.002% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.42 +/- 0.16  99.991% * 98.5005% (0.78  10.0 10.00   3.96  95.61) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.14 +/- 1.26   0.008% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  24.12 +/- 1.52   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.40 +/- 1.61   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  27.65 +/- 1.68   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  32.27 +/- 1.54   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.95 +/- 0.17  98.978% * 99.0333% (0.82  10.0 10.00   3.97  95.61) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.97 +/- 1.74   0.638% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.83 +/- 0.78   0.361% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  15.38 +/- 1.34   0.006% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.25 +/- 2.12   0.008% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  16.65 +/- 2.78   0.005% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  21.13 +/- 1.57   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.61 +/- 1.74   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  22.10 +/- 2.34   0.001% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  24.12 +/- 1.51   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.42 +/- 1.91   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  31.57 +/- 1.53   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  31.13 +/- 1.74   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T QG    GLN   90 - HA    GLN   90   2.70 +/- 0.25  99.768% * 99.3855% (0.88  10.0 10.00   3.61  95.61) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   8.10 +/- 1.27   0.227% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  15.10 +/- 0.98   0.004% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  20.88 +/- 1.39   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  22.35 +/- 1.66   0.000% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.22 +/- 1.35   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.24 +/- 2.14   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  22.82 +/- 1.40   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.78 +/- 3.39   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.42 +/- 0.16  99.987% * 98.8405% (0.78  10.0 10.00   3.96  95.61) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.14 +/- 1.26   0.008% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  16.84 +/- 2.46   0.002% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.80 +/- 2.20   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.54 +/- 0.97   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.94 +/- 2.14   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.32 +/- 3.23   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  21.25 +/- 1.10   0.000% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.84 +/- 0.97   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.71 +/- 1.49   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.949% * 96.7995% (0.67  10.0 10.00   3.99  95.61) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.88 +/- 0.31   0.028% *  0.0752% (0.52   1.0  1.00   0.02   1.54) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   8.91 +/- 1.58   0.010% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.68 +/- 1.14   0.010% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  14.37 +/- 1.11   0.000% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  14.11 +/- 1.59   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.08 +/- 2.33   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.54 +/- 1.36   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  17.76 +/- 2.88   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  17.04 +/- 2.65   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.04 +/- 1.97   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.45 +/- 1.13   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  18.27 +/- 1.55   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.26 +/- 1.80   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  33.40 +/- 1.53   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  23.13 +/- 1.57   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  23.46 +/- 2.36   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  24.02 +/- 1.71   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.90 +/- 1.54   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.64 +/- 1.63   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  24.43 +/- 1.77   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  24.13 +/- 2.13   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.70 +/- 1.88   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.48 +/- 1.00   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.85 +/- 1.20   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  32.94 +/- 1.77   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.93, residual support = 95.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.40 +/- 0.15  99.880% * 96.7466% (0.72  10.0 10.00   3.93  95.61) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.14 +/- 0.96   0.008% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   8.71 +/- 1.92   0.099% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  14.03 +/- 1.06   0.003% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.72 +/- 0.67   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  24.97 +/- 4.06   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.99 +/- 0.95   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  16.12 +/- 1.21   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.31 +/- 2.21   0.001% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.88 +/- 1.36   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  24.75 +/- 1.38   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.82 +/- 1.39   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.45 +/- 1.91   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.55 +/- 3.41   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.71 +/- 1.75   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.02 +/- 1.54   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.05 +/- 2.20   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  28.00 +/- 1.35   0.000% *  0.1076% (0.80   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 = 95.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.95 +/- 0.17  99.988% * 99.7400% (0.82  10.0 10.00   3.97  95.61) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  16.15 +/- 2.43   0.007% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  18.52 +/- 2.17   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  20.63 +/- 1.08   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.98 +/- 1.11   0.002% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00 100.000% * 98.2851% (0.67  10.0 10.00   3.99  95.61) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.37 +/- 1.11   0.000% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  26.00 +/- 1.14   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.32 +/- 1.28   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  29.07 +/- 1.57   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  33.59 +/- 1.47   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.93, residual support = 95.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.37 +/- 0.15  99.433% * 99.3855% (0.75  10.0 10.00   3.93  95.61) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   8.12 +/- 2.36   0.565% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.62 +/- 1.03   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.46 +/- 1.39   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  23.06 +/- 1.88   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.77 +/- 1.31   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.99 +/- 2.19   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.73 +/- 1.19   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.58 +/- 3.32   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T HA    GLN   90 - QG    GLN   90   2.70 +/- 0.25  99.988% * 99.7400% (0.88  10.0 10.00   3.61  95.61) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  15.64 +/- 1.99   0.007% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.91 +/- 1.73   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  18.51 +/- 1.37   0.001% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.89 +/- 0.92   0.002% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.93, residual support = 95.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.40 +/- 0.15  99.992% * 97.8434% (0.72  10.0 10.00   3.93  95.61) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.14 +/- 0.96   0.008% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  21.71 +/- 1.61   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  22.42 +/- 1.50   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  25.43 +/- 1.88   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  29.66 +/- 1.78   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.93, residual support = 95.6:
    * O T HB3   GLN   90 - QG    GLN   90   2.37 +/- 0.15  99.698% * 98.5216% (0.75  10.0 10.00   3.93  95.61) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   8.33 +/- 1.35   0.119% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG    GLN   90   7.42 +/- 1.12   0.176% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  14.49 +/- 1.32   0.002% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.54 +/- 2.04   0.002% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  16.61 +/- 2.20   0.001% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  20.19 +/- 2.57   0.000% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.94 +/- 1.85   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.21 +/- 1.82   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  22.45 +/- 1.75   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.92 +/- 1.63   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  29.03 +/- 1.75   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  29.39 +/- 1.84   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.6:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  99.985% * 98.3255% (1.00  10.0 10.00   2.24  14.59) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91  10.53 +/- 2.21   0.012% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  15.77 +/- 2.02   0.001% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.88 +/- 1.94   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.25 +/- 1.21   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.14 +/- 1.05   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.81 +/- 1.98   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.52 +/- 1.82   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.79 +/- 1.05   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.37 +/- 1.40   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.6:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  99.830% * 99.0540% (1.00  10.0 10.00   2.24  14.59) = 100.000%  kept
          HA    TRP   27 - QG2   THR   23   6.65 +/- 0.67   0.132% *  0.0096% (0.10   1.0  1.00   0.02   1.06) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.81 +/- 1.64   0.016% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.10 +/- 1.39   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.80 +/- 0.70   0.007% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91  11.01 +/- 1.82   0.009% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  15.77 +/- 2.02   0.001% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  15.42 +/- 0.92   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.25 +/- 1.21   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.34 +/- 1.01   0.001% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.58 +/- 2.33   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.57 +/- 1.28   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.23 +/- 1.28   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.45 +/- 1.27   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.43 +/- 2.75   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   3.90 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.42) = 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   3.88 +/- 0.22  74.506% * 99.2584% (0.73  10.0 10.00   5.40 132.42) =  99.989%  kept
          HG3   PRO   52 - HD2   PRO   93   5.76 +/- 2.00  24.304% *  0.0306% (0.22   1.0  1.00   0.02   0.24) =   0.010%
          HB    VAL  108 - HD2   PRO   93   9.31 +/- 2.04   0.777% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  10.57 +/- 1.68   0.292% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  13.06 +/- 2.41   0.082% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.37 +/- 2.45   0.031% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.21 +/- 1.51   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  20.87 +/- 1.29   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.21 +/- 0.79   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.22 +/- 2.87   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.04 +/- 3.10   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.51 +/- 0.28  94.970% * 99.4388% (0.73  10.0 10.00   4.00 132.42) =  99.998%  kept
          HB3   PRO   52 - HD2   PRO   93   5.76 +/- 2.05   5.025% *  0.0307% (0.22   1.0  1.00   0.02   0.24) =   0.002%
          QB    LYS+  66 - HD2   PRO   93  17.44 +/- 1.78   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.63 +/- 1.87   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.60 +/- 1.32   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.16 +/- 0.95   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.29 +/- 1.05   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.08 +/- 0.91   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.39 +/- 2.33   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.17 +/- 1.99   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.202% * 98.6805% (0.65  10.0 10.00   4.00 132.42) =  99.999%  kept
          HB3   CYS   53 - HD2   PRO   93   5.63 +/- 1.82   0.594% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HD2   PRO   93   7.80 +/- 2.32   0.199% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  11.35 +/- 2.49   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  11.88 +/- 1.41   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  23.16 +/- 1.99   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.86 +/- 0.09  99.995% * 99.8223% (0.90  10.0 10.00   5.31 132.42) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.84 +/- 1.95   0.005% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.891, support = 5.36, residual support = 131.2:
    * O T HB2   PRO   93 - HD3   PRO   93   3.86 +/- 0.25  62.708% * 95.8130% (0.90  10.0 10.00   5.40 132.42) =  99.086%  kept
          HG3   PRO   52 - HD3   PRO   93   5.06 +/- 2.08  36.182% *  1.5229% (0.28   1.0  1.00   1.03   0.24) =   0.909%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.01 +/- 1.54   0.304% *  0.8311% (0.78   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HD3   PRO   93   9.55 +/- 2.00   0.536% *  0.0767% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   68  14.15 +/- 1.53   0.043% *  0.0640% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.84 +/- 2.03   0.078% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.44 +/- 2.01   0.027% *  0.0542% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  20.06 +/- 1.90   0.004% *  0.1705% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  22.19 +/- 1.46   0.002% *  0.2664% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  13.20 +/- 1.77   0.060% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  18.12 +/- 1.13   0.007% *  0.0474% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.14 +/- 2.86   0.001% *  0.3596% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.84 +/- 1.66   0.002% *  0.1479% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.16 +/- 2.07   0.003% *  0.0701% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  20.89 +/- 1.20   0.003% *  0.0542% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.58 +/- 3.17   0.010% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.63 +/- 1.20   0.008% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.10 +/- 1.06   0.015% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.76 +/- 1.64   0.006% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  35.88 +/- 3.14   0.000% *  0.3939% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.46 +/- 0.84   0.001% *  0.0466% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.16 +/- 2.45   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.893, support = 3.98, residual support = 131.6:
    * O T HG2   PRO   93 - HD3   PRO   93   2.69 +/- 0.29  83.637% * 91.9418% (0.90  10.0 10.00   4.00 132.42) =  99.356%  kept
        T HB3   PRO   52 - HD3   PRO   93   5.19 +/- 1.86   6.836% *  7.2662% (0.28   1.0 10.00   0.51   0.24) =   0.642%  kept
          QB    LYS+  66 - HD3   PRO   68   4.92 +/- 1.02   8.947% *  0.0147% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD3   PRO   68   6.70 +/- 1.06   0.454% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.43 +/- 2.85   0.019% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  11.70 +/- 3.36   0.049% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.52 +/- 0.71   0.015% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.41 +/- 1.72   0.002% *  0.0825% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.51 +/- 1.78   0.002% *  0.0768% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  10.71 +/- 1.47   0.030% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  21.30 +/- 2.04   0.000% *  0.1636% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.34 +/- 1.00   0.001% *  0.0668% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.90 +/- 1.43   0.001% *  0.0521% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.34 +/- 1.09   0.001% *  0.0736% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.38 +/- 0.80   0.000% *  0.0849% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  15.78 +/- 0.81   0.002% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  19.46 +/- 2.46   0.002% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.47 +/- 1.97   0.000% *  0.0284% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  23.95 +/- 2.14   0.000% *  0.0505% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.97 +/- 1.87   0.000% *  0.0256% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.997% * 99.5607% (0.65  10.0 10.00   4.00 132.42) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  10.89 +/- 1.46   0.003% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  17.96 +/- 1.23   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  23.16 +/- 1.99   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.78 +/- 1.12   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.34 +/- 1.04   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.47 +/- 0.21  99.484% * 99.2584% (1.00  10.0 10.00   5.98 132.42) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.80 +/- 2.16   0.368% *  0.0306% (0.31   1.0  1.00   0.02   0.24) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.47 +/- 1.68   0.118% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.76 +/- 1.65   0.017% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.72 +/- 2.12   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  13.03 +/- 2.03   0.007% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  18.75 +/- 1.24   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.38 +/- 0.96   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.19 +/- 0.93   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.19 +/- 2.65   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.98 +/- 3.21   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.94 +/- 0.04  97.438% * 99.4388% (1.00  10.0 10.00   5.31 132.42) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.94 +/- 1.50   2.420% *  0.0307% (0.31   1.0  1.00   0.02   0.24) =   0.001%
          QB    LYS+  66 - HA    PRO   93  15.87 +/- 1.71   0.027% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  16.02 +/- 1.64   0.026% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  15.84 +/- 0.94   0.025% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.99 +/- 1.65   0.026% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  16.93 +/- 0.83   0.016% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.84 +/- 0.81   0.009% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.54 +/- 1.66   0.008% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  20.50 +/- 1.94   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.90 +/- 0.09  98.335% * 99.7770% (0.73  10.0 10.00   5.31 132.42) =  99.998%  kept
          HA    THR   77 - HA    PRO   93   9.01 +/- 1.48   1.625% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HA    PRO   93  14.69 +/- 1.19   0.040% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.29 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   3.86 +/- 0.09  84.699% * 98.6805% (0.90  10.0 10.00   5.31 132.42) =  99.980%  kept
          HB3   CYS   53 - HA    PRO   93   5.99 +/- 1.42  13.935% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HA    PRO   93   9.22 +/- 1.64   0.875% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93  10.47 +/- 2.45   0.403% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  12.98 +/- 1.55   0.084% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.84 +/- 1.95   0.004% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.07 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   2.76 +/- 0.27  99.004% * 99.0260% (1.00  10.0 10.00   5.40 132.42) =  99.998%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.25 +/- 1.66   0.659% *  0.3056% (0.31   1.0 10.00   0.02   0.24) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   8.27 +/- 0.86   0.196% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.28 +/- 1.59   0.100% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.91 +/- 1.76   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.96 +/- 1.64   0.005% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.16 +/- 1.27   0.012% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.60 +/- 1.18   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.18 +/- 1.11   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.99 +/- 1.48   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.47 +/- 0.77   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  21.52 +/- 1.93   0.001% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.36 +/- 2.42   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.86 +/- 1.79   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.77 +/- 1.04   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.46 +/- 1.32   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.87 +/- 0.88   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  17.23 +/- 1.66   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  25.95 +/- 3.26   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.42 +/- 1.56   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   3.88 +/- 0.22  95.730% * 99.6822% (0.73  10.0 10.00   5.40 132.42) =  99.998%  kept
          HA    THR   77 - HB2   PRO   93  10.22 +/- 2.19   1.398% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG3   GLN   30   7.09 +/- 0.44   2.815% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  15.70 +/- 1.92   0.032% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.21 +/- 1.51   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.96 +/- 1.06   0.022% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.4, residual support = 132.4:
    * O T HD3   PRO   93 - HB2   PRO   93   3.86 +/- 0.25  72.064% * 97.4649% (0.90  10.0 10.00   5.40 132.42) =  99.957%  kept
          HB3   CYS   53 - HB2   PRO   93   5.25 +/- 1.57  24.988% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.038%
          QB    PHE   55 - HB2   PRO   93   8.15 +/- 1.90   1.652% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HB2   PRO   93  12.04 +/- 1.56   0.098% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   PRO   93   9.18 +/- 2.59   1.175% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   PRO   93  20.06 +/- 1.90   0.005% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  18.12 +/- 1.13   0.008% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  22.19 +/- 1.46   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  26.46 +/- 2.95   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.57 +/- 1.23   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.17 +/- 1.61   0.003% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.36 +/- 1.12   0.002% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.94 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.42) = 100.000%  kept
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.76 +/- 0.27  95.661% * 98.7141% (1.00  10.0 10.00   5.40 132.42) =  99.987%  kept
        T HG3   PRO   52 - HG2   PRO   93   6.15 +/- 1.73   4.008% *  0.3047% (0.31   1.0 10.00   0.02   0.24) =   0.013%
        T HG2   PRO   58 - HG2   PRO   93  11.10 +/- 2.54   0.056% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   PRO   93   9.26 +/- 1.99   0.158% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.80 +/- 1.84   0.103% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.56 +/- 2.64   0.013% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  21.52 +/- 1.93   0.001% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.22 +/- 1.73   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  25.82 +/- 3.10   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.49 +/- 0.90   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  34.63 +/- 3.05   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.51 +/- 0.28  99.970% * 99.7770% (0.73  10.0 10.00   4.00 132.42) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.75 +/- 2.05   0.029% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  17.85 +/- 1.89   0.001% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.69 +/- 0.29  82.052% * 98.6805% (0.90  10.0 10.00   4.00 132.42) =  99.977%  kept
          HB3   CYS   53 - HG2   PRO   93   5.09 +/- 1.78  12.650% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.017%
          QB    PHE   55 - HG2   PRO   93   6.72 +/- 2.40   5.077% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   PRO   93   9.33 +/- 2.66   0.197% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.23 +/- 1.67   0.024% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  21.30 +/- 2.04   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   3.03 +/- 0.07  99.663% * 99.2375% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          HD2   PRO   52 - HA    THR   94  10.91 +/- 1.88   0.225% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HA    THR   94  11.38 +/- 1.48   0.061% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.31 +/- 1.10   0.016% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.06 +/- 1.66   0.017% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  15.90 +/- 1.81   0.006% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.65 +/- 1.43   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.29 +/- 1.54   0.005% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.26 +/- 1.49   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.24 +/- 1.32   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.52 +/- 0.20  99.970% * 99.7175% (1.00  10.0 10.00   2.96  25.31) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  13.39 +/- 2.26   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  13.02 +/- 1.59   0.007% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.60 +/- 1.18   0.013% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.84 +/- 0.90   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.03 +/- 0.07  99.909% * 99.9751% (0.84  10.0 10.00   2.43  25.31) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.91 +/- 0.70   0.091% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.44, 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   2.44  25.31) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.19 +/- 1.52   0.007% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.61 +/- 2.58   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.40 +/- 1.64   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.66 +/- 0.86   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.52 +/- 0.20  99.947% * 99.9751% (1.00  10.0 10.00   2.96  25.31) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.23 +/- 0.55   0.053% *  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 = 2.44, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.762% * 99.2375% (0.84  10.0 10.00   2.44  25.31) = 100.000%  kept
          HD2   PRO   52 - QG2   THR   94  10.92 +/- 2.06   0.204% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.00 +/- 1.33   0.007% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.32 +/- 1.21   0.012% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.60 +/- 1.99   0.007% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  12.43 +/- 2.17   0.005% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.98 +/- 1.37   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.82 +/- 1.23   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.26 +/- 1.18   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.30 +/- 1.19   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   2.96 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.64 +/- 0.22  99.993% * 99.8670% (1.00  10.0 10.00   4.00  73.54) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  14.23 +/- 1.42   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.11 +/- 1.49   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   2.96 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.999% * 99.8670% (1.00  10.0 10.00   3.31  73.54) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.91 +/- 1.43   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.89 +/- 1.55   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.64 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.54) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.54) = 100.000%  kept
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HA    MET   96   2.98 +/- 0.12  94.817% * 99.6213% (0.98  10.0 10.00   5.00 115.52) =  99.998%  kept
          HB2   ASP- 105 - HA    MET   96   6.24 +/- 1.20   5.141% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  11.72 +/- 1.14   0.030% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.22 +/- 0.72   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.23 +/- 0.98   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  17.34 +/- 1.06   0.003% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.61 +/- 1.21   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HA    MET   96   2.77 +/- 0.13  99.965% * 99.7402% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  10.78 +/- 0.88   0.034% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  21.81 +/- 2.19   0.001% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.26 +/- 1.62   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.33 +/- 2.99   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   2.77 +/- 0.49  99.994% * 99.6261% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.39 +/- 2.68   0.006% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HA    MET   96   2.57 +/- 0.44  99.973% * 99.7437% (0.59  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96  13.20 +/- 4.01   0.019% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.00 +/- 1.70   0.006% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.78 +/- 1.43   0.002% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.54 +/- 1.13   0.000% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB2   MET   96   2.98 +/- 0.12  99.766% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.50 +/- 0.85   0.234% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.996% * 99.7402% (1.00  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.45 +/- 1.40   0.004% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.38 +/- 2.28   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.74 +/- 1.80   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  28.80 +/- 3.28   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB2   MET   96   2.73 +/- 0.28  99.995% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.34 +/- 2.62   0.005% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB2   MET   96   2.76 +/- 0.29  99.951% * 99.7437% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  12.11 +/- 3.86   0.043% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.59 +/- 1.29   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.96 +/- 1.47   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.87 +/- 1.50   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   2.77 +/- 0.13  99.846% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.09 +/- 1.16   0.154% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.982% * 99.6213% (1.00  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.77 +/- 1.26   0.016% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.39 +/- 1.50   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.44 +/- 1.07   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  15.44 +/- 1.13   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.80 +/- 1.35   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.28 +/- 1.27   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.75 +/- 0.28  99.995% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.62 +/- 2.97   0.005% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   2.79 +/- 0.23  99.925% * 99.7437% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96  11.61 +/- 4.09   0.069% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.93 +/- 1.55   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.48 +/- 1.29   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.57 +/- 1.22   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG2   MET   96   2.77 +/- 0.49  99.915% * 99.6779% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  16.39 +/- 2.68   0.006% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.52 +/- 1.06   0.078% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  19.23 +/- 2.11   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG2   MET   96   2.73 +/- 0.28  99.679% * 99.2205% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.11 +/- 1.33   0.285% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.34 +/- 2.62   0.005% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.04 +/- 1.31   0.014% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.64 +/- 1.32   0.006% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  17.35 +/- 1.04   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.18 +/- 1.30   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.58 +/- 1.51   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.87 +/- 1.69   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.11 +/- 2.45   0.004% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  22.30 +/- 2.27   0.001% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.62 +/- 1.31   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.12 +/- 1.79   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.89 +/- 2.56   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   2.75 +/- 0.28  99.381% * 99.3732% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.87 +/- 0.90   0.579% *  0.0073% (0.07   1.0  1.00   0.02   1.75) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.08 +/- 1.26   0.033% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.62 +/- 2.97   0.005% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.35 +/- 2.64   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.70 +/- 2.10   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.20 +/- 2.64   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.63 +/- 3.45   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.11 +/- 2.82   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.03 +/- 3.00   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  99.995% * 99.2819% (0.61  10.0 10.00   4.00 115.52) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96  12.23 +/- 4.14   0.003% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  17.82 +/- 2.75   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.46 +/- 1.45   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.06 +/- 2.71   0.001% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.65 +/- 1.72   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.17 +/- 1.71   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.05 +/- 1.77   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.60 +/- 2.65   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.03 +/- 2.20   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   2.57 +/- 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  10.72 +/- 0.83   0.032% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG3   MET   96   2.76 +/- 0.29  99.258% * 99.6213% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.91 +/- 1.32   0.722% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.14 +/- 1.29   0.011% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.66 +/- 1.14   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  17.51 +/- 1.11   0.002% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.36 +/- 1.30   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.80 +/- 1.41   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   2.79 +/- 0.23  99.958% * 99.7402% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.17 +/- 1.32   0.041% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.58 +/- 2.31   0.001% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.83 +/- 1.49   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.82 +/- 3.42   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.52) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  17.82 +/- 2.75   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   2.94 +/- 0.23  98.865% * 99.7149% (1.00  10.0 10.00   2.89  62.58) =  99.999%  kept
          QE    LYS+ 106 - HA    PHE   97   7.46 +/- 0.89   0.479% *  0.0724% (0.73   1.0  1.00   0.02  10.82) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.31 +/- 0.67   0.570% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  12.12 +/- 2.16   0.055% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  13.19 +/- 1.72   0.020% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  13.93 +/- 1.27   0.012% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.63 +/- 0.19  99.974% * 99.7224% (0.95  10.0 10.00   3.44  62.58) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  10.99 +/- 0.44   0.022% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.54 +/- 1.69   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.37 +/- 1.78   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  19.02 +/- 1.19   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   2.94 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.58) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.58) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.56 +/- 0.81   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.98 +/- 1.63   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.38 +/- 1.79   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  21.02 +/- 1.19   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   2.63 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.58) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.899% * 99.7149% (0.95  10.0 10.00   3.31  62.58) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.70 +/- 0.94   0.051% *  0.0724% (0.69   1.0  1.00   0.02  10.82) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   7.02 +/- 1.10   0.048% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.82 +/- 2.31   0.002% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.51 +/- 1.73   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.39 +/- 1.74   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 82.9:
    * O T QB    LEU   98 - HA    LEU   98   2.22 +/- 0.10  99.926% * 99.2568% (0.87  10.0 10.00   4.97  82.87) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  12.86 +/- 3.67   0.018% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.17 +/- 0.44   0.043% *  0.0226% (0.20   1.0  1.00   0.02   0.62) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.99 +/- 2.18   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.99 +/- 2.00   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  13.04 +/- 1.12   0.003% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.38 +/- 0.86   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.29 +/- 1.35   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.86 +/- 0.72   0.001% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.90 +/- 2.61   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.50 +/- 0.95   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.96 +/- 2.90   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.55 +/- 2.43   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.02 +/- 1.19   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 4.9, residual support = 81.5:
    *   T QD1   LEU   98 - HA    LEU   98   2.75 +/- 0.51  74.628% * 94.9745% (1.00 10.00   4.93  82.87) =  98.253%  kept
          QD2   LEU  104 - HA    LEU   98   3.97 +/- 1.14  25.351% *  4.9710% (0.31  1.00   3.39   6.17) =   1.747%  kept
          QG2   ILE   19 - HA    LEU   98  13.08 +/- 0.75   0.009% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.64 +/- 1.43   0.012% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.35, residual support = 82.0:
    *   T QD2   LEU   98 - HA    LEU   98   3.78 +/- 0.51  85.713% * 90.1450% (1.00 10.00   4.39  82.87) =  98.416%  kept
          QG2   VAL   41 - HA    LEU   98   5.80 +/- 1.08  13.949% *  8.9165% (0.95  1.00   2.09  26.65) =   1.584%  kept
          QD2   LEU   63 - HA    LEU   98  10.65 +/- 1.92   0.326% *  0.0371% (0.41  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - HA    LEU   98  17.23 +/- 2.27   0.012% *  0.9014% (1.00 10.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 82.9:
    * O T HA    LEU   98 - QB    LEU   98   2.22 +/- 0.10 100.000% *100.0000% (0.87  10.0 10.00   4.97  82.87) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 82.9:
    * O T QD1   LEU   98 - QB    LEU   98   2.15 +/- 0.15  98.121% * 99.3996% (0.87  10.0 10.00   3.95  82.87) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   4.90 +/- 0.91   1.863% *  0.0307% (0.27   1.0  1.00   0.02   6.17) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  10.61 +/- 0.84   0.009% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.15 +/- 1.14   0.007% *  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 = 0.862, support = 3.34, residual support = 75.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.09 +/- 0.14  86.923% * 51.1151% (0.87  10.0 10.00   3.44  82.87) =  87.553%  kept
        T QG2   VAL   41 - QB    LEU   98   3.65 +/- 1.49  13.064% * 48.3528% (0.82   1.0 10.00   2.64  26.65) =  12.447%  kept
        T QD1   LEU   80 - QB    LEU   98  14.23 +/- 2.30   0.001% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98  10.16 +/- 1.78   0.012% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.93, residual support = 82.9:
    *   T HA    LEU   98 - QD1   LEU   98   2.75 +/- 0.51 100.000% *100.0000% (1.00 10.00   4.93  82.87) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 82.9:
    * O T QB    LEU   98 - QD1   LEU   98   2.15 +/- 0.15  99.796% * 98.1517% (0.87  10.0 10.00   3.95  82.87) = 100.000%  kept
          HD3   LYS+ 121 - QD1   LEU   98  12.12 +/- 3.47   0.067% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   7.62 +/- 0.96   0.084% *  0.0224% (0.20   1.0  1.00   0.02   0.62) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.60 +/- 1.73   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  15.11 +/- 2.53   0.002% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.37 +/- 2.55   0.022% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  10.43 +/- 1.42   0.014% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.96 +/- 1.44   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  14.97 +/- 2.36   0.002% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.29 +/- 1.25   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.48 +/- 0.85   0.003% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.05 +/- 1.54   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.68 +/- 2.20   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.50 +/- 1.86   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 82.9:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.07  98.678% * 98.8770% (1.00  10.0 10.00   2.91  82.87) =  99.999%  kept
          QG2   VAL   41 - QD1   LEU   98   4.79 +/- 1.21   1.299% *  0.0935% (0.95   1.0  1.00   0.02  26.65) =   0.001%
        T QD1   LEU   80 - QD1   LEU   98  13.13 +/- 1.90   0.002% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.73 +/- 2.14   0.020% *  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 = 82.9:
    *   T HA    LEU   98 - QD2   LEU   98   3.78 +/- 0.51  99.984% * 99.4301% (1.00 10.00   4.39  82.87) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  17.23 +/- 2.27   0.016% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.705, support = 3.64, residual support = 81.0:
    * O T QB    LEU   98 - QD2   LEU   98   2.09 +/- 0.14  43.494% * 50.3539% (0.87  10.0 10.00   3.44  82.87) =  65.086%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  39.787% * 16.1964% (0.28  10.0  1.00   3.76  77.48) =  19.151%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.60 +/- 0.42  16.517% * 32.1120% (0.55  10.0 10.00   4.32  77.48) =  15.763%  kept
          HB3   LYS+  74 - QD1   LEU   80   7.80 +/- 2.28   0.036% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.25 +/- 0.85   0.094% *  0.0115% (0.20   1.0  1.00   0.02   0.62) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  13.52 +/- 2.34   0.001% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  13.11 +/- 3.52   0.006% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.72 +/- 2.18   0.019% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  14.23 +/- 2.30   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   8.47 +/- 1.34   0.016% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.68 +/- 1.73   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.25 +/- 1.27   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.78 +/- 2.70   0.014% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.51 +/- 0.85   0.003% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.54 +/- 2.55   0.001% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.52 +/- 2.69   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.54 +/- 0.77   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.73 +/- 2.57   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.25 +/- 1.49   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.84 +/- 1.75   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.21 +/- 2.16   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.93 +/- 3.98   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.85 +/- 2.29   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.80 +/- 3.14   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.47 +/- 1.63   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.52 +/- 2.35   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  17.86 +/- 2.04   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  19.00 +/- 2.45   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 82.9:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.07  99.550% * 98.8641% (1.00  10.0 10.00   2.91  82.87) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.03 +/- 1.07   0.371% *  0.3051% (0.31   1.0 10.00   0.02   6.17) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  13.13 +/- 1.90   0.002% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.53 +/- 2.16   0.035% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.10 +/- 0.82   0.016% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.77 +/- 1.11   0.011% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.06 +/- 2.40   0.015% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  17.06 +/- 2.00   0.000% *  0.1749% (0.18   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 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.1:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.11 +/- 0.43  97.407% * 98.7502% (1.00  10.0 10.00   6.44 173.09) =  99.997%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.88 +/- 1.66   0.487% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  99   6.69 +/- 1.06   1.857% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   9.78 +/- 1.73   0.228% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.67 +/- 1.83   0.010% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  22.60 +/- 3.22   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.36 +/- 1.28   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.06 +/- 1.63   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.05 +/- 1.47   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.77 +/- 2.22   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.555, support = 5.88, residual support = 173.1:
      O T HB3   LYS+  99 - HA    LYS+  99   2.64 +/- 0.30  88.086% * 28.6795% (0.41  10.0 10.00   5.90 173.09) =  75.542%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.98 +/- 0.49  11.725% * 69.7607% (1.00   1.0 10.00   5.82 173.09) =  24.458%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.88 +/- 1.21   0.015% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   7.92 +/- 0.83   0.162% *  0.0155% (0.22   1.0  1.00   0.02   1.93) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  18.30 +/- 5.01   0.002% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.15 +/- 1.80   0.009% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  18.26 +/- 1.73   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.31 +/- 0.41   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.32 +/- 2.10   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.96 +/- 0.87   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 173.1:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.69 +/- 0.34  96.409% * 98.5233% (1.00  10.0 10.00   7.07 173.09) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.66 +/- 1.21   0.143% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  99   5.89 +/- 1.15   3.396% *  0.0219% (0.22   1.0  1.00   0.02  18.51) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.69 +/- 1.87   0.024% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  15.93 +/- 5.21   0.016% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  15.26 +/- 1.53   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.24 +/- 1.15   0.004% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.65 +/- 1.20   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  21.85 +/- 3.05   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  21.56 +/- 2.71   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.34 +/- 2.85   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  20.38 +/- 2.06   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 173.1:
    *   T QE    LYS+  99 - HA    LYS+  99   3.73 +/- 0.24  96.882% * 98.3577% (1.00 10.00   5.36 173.09) =  99.984%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.49 +/- 0.98   1.083% *  0.8821% (0.90 10.00   0.02   0.02) =   0.010%
        T QE    LYS+ 102 - HA    LYS+  99   8.50 +/- 0.63   0.806% *  0.6756% (0.69 10.00   0.02   1.93) =   0.006%
          HB2   PHE   97 - HA    LYS+  99   7.85 +/- 0.44   1.204% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  15.72 +/- 2.01   0.025% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 173.1:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.82 +/- 0.28  95.044% * 99.5483% (1.00  10.0 10.00   7.00 173.09) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   4.90 +/- 1.00   4.898% *  0.0248% (0.25   1.0  1.00   0.02  11.90) =   0.001%
          HA    ASN   35 - HB2   LYS+  99  10.81 +/- 1.25   0.040% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  16.28 +/- 5.31   0.012% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.29 +/- 1.60   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.73 +/- 1.75   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.85 +/- 1.62   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.42 +/- 1.69   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.22 +/- 1.32   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.71 +/- 1.78   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.1:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.47 +/- 0.16  99.839% * 98.7502% (1.00  10.0 10.00   6.44 173.09) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  10.32 +/- 1.56   0.032% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.09 +/- 0.77   0.113% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  11.68 +/- 1.26   0.012% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.42 +/- 1.91   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  23.28 +/- 3.26   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.51 +/- 1.32   0.000% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.30 +/- 1.64   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.94 +/- 1.23   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.93 +/- 2.46   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 4.88, residual support = 173.1:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  90.647% * 29.0322% (0.41  10.0   4.68 173.09) =  80.003%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.62 +/- 0.26   9.315% * 70.6187% (1.00  10.0   5.69 173.09) =  19.997%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.30 +/- 1.44   0.035% *  0.0157% (0.22   1.0   0.02   1.93) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.00 +/- 1.18   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.77 +/- 1.40   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  17.07 +/- 4.60   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.09 +/- 1.39   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.30 +/- 0.79   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.37 +/- 2.43   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.06 +/- 0.94   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 173.1:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.98 +/- 0.17  98.909% * 99.3871% (1.00  10.0   7.07 173.09) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.94 +/- 0.87   0.956% *  0.0221% (0.22   1.0   0.02  18.51) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.25 +/- 1.21   0.078% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.93 +/- 1.22   0.011% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  14.96 +/- 4.85   0.029% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.37 +/- 1.00   0.006% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.90 +/- 0.91   0.005% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.42 +/- 3.08   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.39 +/- 0.90   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  22.00 +/- 2.75   0.001% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  23.33 +/- 3.02   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  21.25 +/- 2.04   0.001% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 173.1:
    *     QE    LYS+  99 - HB2   LYS+  99   3.38 +/- 0.62  96.226% * 99.0534% (1.00   5.11 173.09) =  99.991%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.86 +/- 1.10   1.617% *  0.2661% (0.69   0.02   1.93) =   0.005%
          HB2   PHE   97 - HB2   LYS+  99   7.05 +/- 0.50   1.727% *  0.1593% (0.41   0.02   0.02) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99   9.38 +/- 1.24   0.423% *  0.3475% (0.90   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB2   LYS+  99  17.59 +/- 1.48   0.007% *  0.1737% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.1:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.11 +/- 0.43  79.105% * 97.9094% (1.00  10.0 10.00   6.44 173.09) =  99.995%  kept
          HA    LEU   40 - HG3   LYS+  99   4.89 +/- 1.46  10.331% *  0.0244% (0.25   1.0  1.00   0.02  11.90) =   0.003%
          HA    ASN   35 - HG3   LYS+  38   5.06 +/- 0.97   9.718% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   8.88 +/- 1.66   0.367% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   9.89 +/- 1.55   0.111% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  16.99 +/- 5.82   0.024% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.31 +/- 0.73   0.319% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  24.50 +/- 1.86   0.000% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  22.60 +/- 3.22   0.001% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  19.26 +/- 1.78   0.002% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.26 +/- 1.95   0.004% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.12 +/- 1.88   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.34 +/- 1.84   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  23.22 +/- 3.52   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  24.92 +/- 3.23   0.000% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  23.10 +/- 5.89   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  30.24 +/- 1.61   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.08 +/- 2.18   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  21.45 +/- 1.89   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.43 +/- 3.11   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.60 +/- 1.68   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.89 +/- 1.96   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  28.66 +/- 3.02   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  21.94 +/- 1.93   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.38 +/- 2.57   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  26.50 +/- 2.67   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.92 +/- 1.74   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.50 +/- 2.17   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  31.77 +/- 4.06   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.32 +/- 1.55   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 0.02 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 = 0.877, support = 4.62, residual support = 179.3:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.91 +/- 0.55  37.207% * 89.0505% (1.00  10.0 10.00   4.68 173.09) =  86.445%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.58 +/- 0.41  62.315% *  8.3338% (0.09  10.0 10.00   4.26 219.04) =  13.549%  kept
        T QE    LYS+  38 - HG3   LYS+  99   7.84 +/- 1.38   0.183% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HG3   LYS+  99   8.66 +/- 1.21   0.119% *  0.6117% (0.69   1.0 10.00   0.02   1.93) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  38   8.59 +/- 1.67   0.114% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.19 +/- 0.48   0.041% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.68 +/- 1.74   0.010% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  20.64 +/- 3.87   0.001% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  14.02 +/- 2.91   0.007% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  22.37 +/- 3.16   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  26.49 +/- 2.88   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.53 +/- 1.75   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  18.55 +/- 3.35   0.001% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.34 +/- 1.46   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.95 +/- 0.75   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 172.9:
    *   T HA    LYS+  99 - QD    LYS+  99   3.98 +/- 0.49  77.042% * 95.3591% (1.00 10.00   5.82 173.09) =  99.904%  kept
          HA    LEU   40 - QD    LYS+  99   5.10 +/- 1.06  21.712% *  0.3065% (0.25  1.00   0.26  11.90) =   0.090%
        T HA    LEU  123 - QD    LYS+  99  13.90 +/- 5.25   0.237% *  0.8272% (0.87 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QD    LYS+ 106  11.88 +/- 1.21   0.174% *  0.7678% (0.81 10.00   0.02   0.02) =   0.002%
        T HA    ILE   56 - QD    LYS+ 106  14.52 +/- 1.31   0.044% *  0.7263% (0.76 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+  99  10.15 +/- 1.32   0.333% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.84 +/- 2.50   0.030% *  0.6660% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.30 +/- 1.30   0.074% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  21.16 +/- 1.49   0.004% *  0.9021% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.87 +/- 1.50   0.186% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  13.75 +/- 1.35   0.062% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  18.05 +/- 1.51   0.012% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.39 +/- 1.58   0.032% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  20.51 +/- 1.72   0.005% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.30 +/- 1.69   0.015% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.85 +/- 1.24   0.017% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  20.57 +/- 2.20   0.009% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.79 +/- 1.44   0.007% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.35 +/- 1.48   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.28 +/- 2.24   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 173.1:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.41 +/- 0.17  99.469% * 97.4178% (1.00  10.0  1.00   5.86 173.09) =  99.999%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.91 +/- 2.90   0.052% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.87 +/- 1.38   0.062% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.96 +/- 1.82   0.229% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.34 +/- 0.84   0.087% *  0.0217% (0.22   1.0  1.00   0.02  18.51) =   0.000%
          QB    ALA  124 - QD    LYS+  99  12.43 +/- 4.84   0.036% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.53 +/- 1.47   0.013% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.18 +/- 1.18   0.015% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.20 +/- 1.25   0.006% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  13.93 +/- 2.50   0.005% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.86 +/- 1.16   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.12 +/- 1.42   0.009% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  21.18 +/- 2.75   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.21 +/- 1.19   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.60 +/- 1.81   0.001% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.51 +/- 0.76   0.002% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.75 +/- 2.18   0.002% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.00 +/- 1.42   0.001% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  18.15 +/- 2.34   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  14.71 +/- 2.02   0.003% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.88 +/- 0.88   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  21.34 +/- 2.49   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  22.59 +/- 2.61   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.54 +/- 1.74   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 173.1:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.30 +/- 0.16  99.588% * 94.6730% (1.00  10.0 10.00   5.27 173.09) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.78 +/- 1.67   0.127% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   6.96 +/- 1.08   0.203% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.43 +/- 2.34   0.017% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.95 +/- 1.26   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  14.59 +/- 3.20   0.007% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.80 +/- 1.15   0.012% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.84 +/- 1.49   0.013% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.47 +/- 1.64   0.002% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  11.72 +/- 2.28   0.016% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.65 +/- 1.31   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.07 +/- 2.13   0.003% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.91 +/- 1.46   0.004% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.92 +/- 0.97   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  16.04 +/- 1.68   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  19.26 +/- 1.50   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.62 +/- 2.29   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  22.71 +/- 2.94   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.91 +/- 2.35   0.001% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.67 +/- 1.65   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 173.1:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.553% * 96.3213% (1.00  10.0 10.00   4.36 173.09) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.78 +/- 1.44   0.086% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  99   8.50 +/- 1.12   0.031% *  0.6616% (0.69   1.0 10.00   0.02   1.93) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.21 +/- 0.90   0.265% *  0.0319% (0.33   1.0  1.00   0.02  10.82) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.54 +/- 1.64   0.009% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106  10.25 +/- 1.60   0.012% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.73 +/- 0.59   0.043% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.55 +/- 1.40   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.33 +/- 2.07   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.20 +/- 1.33   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 = 0.984, support = 5.28, residual support = 169.6:
    *   T HA    LYS+  99 - QE    LYS+  99   3.73 +/- 0.24  49.697% * 95.9086% (1.00 10.00   5.36 173.09) =  97.864%  kept
          HA    LEU   40 - QE    LYS+  99   3.94 +/- 1.02  43.979% *  2.3531% (0.25  1.00   1.97  11.90) =   2.125%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.50 +/- 0.63   0.444% *  0.6541% (0.68 10.00   0.02   1.93) =   0.006%
        T HA    LYS+  99 - QE    LYS+  38   8.49 +/- 0.98   0.510% *  0.2587% (0.27 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QE    LYS+  38   6.05 +/- 1.02   3.748% *  0.0250% (0.26  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  99  13.02 +/- 5.64   0.261% *  0.0832% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+  99   9.72 +/- 1.21   0.166% *  0.0926% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.32 +/- 1.09   0.890% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  12.48 +/- 1.87   0.080% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.54 +/- 0.97   0.125% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.53 +/- 1.70   0.030% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.85 +/- 4.27   0.006% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.19 +/- 1.66   0.009% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.22 +/- 1.63   0.002% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  20.14 +/- 2.09   0.002% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.81 +/- 4.78   0.004% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.27 +/- 2.50   0.020% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.01 +/- 1.55   0.005% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.62 +/- 1.84   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.96 +/- 1.88   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.06 +/- 1.51   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.62 +/- 2.66   0.004% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.59 +/- 2.05   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.47 +/- 2.60   0.006% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.78 +/- 2.21   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.66 +/- 1.79   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.17 +/- 2.83   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.87 +/- 2.08   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.51 +/- 1.88   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.16 +/- 1.99   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.489, support = 4.49, residual support = 173.1:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  80.711% * 59.3751% (0.41  10.0 10.00   4.36 173.09) =  86.739%  kept
          HB3   LYS+  99 - QE    LYS+  99   2.94 +/- 0.63  19.123% * 38.3099% (1.00   1.0  1.00   5.31 173.09) =  13.260%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.78 +/- 1.44   0.074% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.50 +/- 1.12   0.027% *  0.4049% (0.28   1.0 10.00   0.02   1.93) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.54 +/- 1.64   0.006% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102  10.25 +/- 1.60   0.009% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.35 +/- 1.03   0.032% *  0.0985% (0.68   1.0  1.00   0.02   1.93) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.42 +/- 1.15   0.014% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.20 +/- 1.31   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.19 +/- 1.25   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.55 +/- 1.40   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.37 +/- 1.63   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  21.35 +/- 3.63   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.63 +/- 2.92   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.22 +/- 1.60   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.88 +/- 1.01   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.91 +/- 1.73   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  26.94 +/- 2.55   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.87, support = 4.62, residual support = 179.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.91 +/- 0.55  36.569% * 88.1476% (1.00  10.0 10.00   4.68 173.09) =  85.520%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.58 +/- 0.41  61.128% *  8.9252% (0.10  10.0 10.00   4.26 219.04) =  14.474%  kept
          QG2   THR   39 - QE    LYS+  99   5.52 +/- 1.17   1.326% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - QE    LYS+ 102   8.66 +/- 1.21   0.116% *  0.6011% (0.68   1.0 10.00   0.02   1.93) =   0.002%
        T HG3   LYS+  99 - QE    LYS+  38   7.84 +/- 1.38   0.176% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   8.59 +/- 1.67   0.110% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  38   7.43 +/- 1.35   0.474% *  0.0154% (0.17   1.0  1.00   0.02  27.89) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.22 +/- 1.58   0.056% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.68 +/- 1.74   0.010% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.45 +/- 1.25   0.009% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.88 +/- 1.48   0.014% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.30 +/- 1.74   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  20.64 +/- 3.87   0.001% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  16.02 +/- 1.54   0.002% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  22.37 +/- 3.16   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.35 +/- 1.32   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.30 +/- 1.71   0.001% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.67 +/- 2.58   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.21 +/- 1.15   0.001% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.15 +/- 1.79   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.94 +/- 1.97   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.31 +/- 1.33   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.36 +/- 2.53   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.72 +/- 1.45   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  26.49 +/- 2.88   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.04 +/- 2.75   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.17 +/- 1.59   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.77 +/- 1.73   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.30 +/- 1.64   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.22 +/- 2.40   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HB2   GLU- 100 - HA    GLU- 100   3.02 +/- 0.04  97.989% * 99.1823% (1.00  10.0 10.00   4.26  75.82) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.85 +/- 1.59   1.783% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  11.24 +/- 0.78   0.040% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  11.47 +/- 2.21   0.049% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.22 +/- 0.31   0.124% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.79 +/- 2.07   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.67 +/- 1.19   0.014% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.03 +/- 2.15   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  23.77 +/- 2.02   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  27.24 +/- 1.33   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.96 +/- 0.92   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.90 +/- 2.22   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.52 +/- 0.16  97.118% * 99.2716% (1.00  10.0 10.00   4.26  75.82) =  99.998%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.95 +/- 1.96   2.838% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HA    GLU- 100  13.50 +/- 2.75   0.008% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  15.24 +/- 2.46   0.004% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.88 +/- 2.67   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.55 +/- 0.64   0.012% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  18.51 +/- 1.83   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.82 +/- 0.77   0.006% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.41 +/- 1.29   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.46 +/- 3.34   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.32 +/- 1.74   0.008% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.39 +/- 0.98   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.69 +/- 2.06   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  17.26 +/- 1.07   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.59 +/- 2.20   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.85 +/- 2.23   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.98 +/- 3.04   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  22.88 +/- 1.56   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.74 +/- 1.35   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.66 +/- 1.21   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.70 +/- 1.59   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.98 +/- 2.46   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.8:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.79 +/- 0.31  85.570% * 99.4988% (1.00  10.0 10.00   4.72  75.82) =  99.990%  kept
        T HG2   GLU- 100 - HA    LYS+  38   5.11 +/- 2.33  14.375% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.010%
          HB2   MET   96 - HA    GLU- 100  12.95 +/- 0.74   0.010% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.04 +/- 0.74   0.005% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.10 +/- 1.44   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  17.40 +/- 2.52   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.87 +/- 2.32   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.89 +/- 1.00   0.005% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.83 +/- 0.88   0.012% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.27 +/- 2.06   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.87 +/- 1.50   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.96 +/- 0.55   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.83 +/- 2.59   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.32 +/- 0.65   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.94 +/- 1.47   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.80 +/- 0.66   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.04 +/- 0.38   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.11 +/- 0.98   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HA    GLU- 100 - HB2   GLU- 100   3.02 +/- 0.04  98.213% * 98.6741% (1.00  10.0 10.00   4.26  75.82) =  99.996%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.85 +/- 1.59   1.787% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   58 - HB2   GLU- 100  28.46 +/- 1.80   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  24.54 +/- 4.47   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.97 +/- 1.54   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.8:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.82) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.67 +/- 1.87   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.50 +/- 1.71   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.36 +/- 1.23   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  19.36 +/- 1.77   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.21 +/- 2.17   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  22.28 +/- 3.10   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.08 +/- 1.08   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.23 +/- 1.61   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.35 +/- 2.67   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.54 +/- 2.04   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.08  99.961% * 99.5837% (1.00  10.0 10.00   3.24  75.82) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.59 +/- 0.92   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.44 +/- 1.03   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.80 +/- 1.18   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  19.67 +/- 1.71   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.28 +/- 1.87   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.89 +/- 1.36   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.81 +/- 1.04   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.96 +/- 1.77   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.52 +/- 0.16  97.161% * 99.5406% (1.00  10.0 10.00   4.26  75.82) =  99.993%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.95 +/- 1.96   2.839% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.007%
          HA    VAL   83 - HB3   GLU- 100  24.78 +/- 4.52   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  29.19 +/- 2.05   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.66 +/- 1.55   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.8:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.998% * 99.6840% (1.00  10.0 10.00   2.00  75.82) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  12.19 +/- 0.98   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  12.72 +/- 1.75   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.78 +/- 2.24   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  25.44 +/- 1.67   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.03 +/- 2.04   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.43 +/- 0.12  99.991% * 99.0882% (1.00  10.0 10.00   3.24  75.82) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  14.20 +/- 1.68   0.004% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.35 +/- 0.72   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.60 +/- 0.90   0.002% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.23 +/- 2.04   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  19.18 +/- 2.01   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.11 +/- 1.63   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.64 +/- 2.03   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.67 +/- 0.80   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.8:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.79 +/- 0.31  85.617% * 99.5406% (1.00  10.0 10.00   4.72  75.82) =  99.963%  kept
        T HA    LYS+  38 - HG2   GLU- 100   5.11 +/- 2.33  14.382% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.037%
          HA    VAL   83 - HG2   GLU- 100  25.27 +/- 4.43   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.68 +/- 1.82   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  29.49 +/- 1.36   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.08  99.944% * 99.6840% (1.00  10.0 10.00   3.24  75.82) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  12.08 +/- 1.17   0.030% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  12.79 +/- 2.04   0.025% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  26.44 +/- 2.24   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  25.38 +/- 1.76   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  27.37 +/- 1.87   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.43 +/- 0.12  99.992% * 98.4783% (1.00  10.0 10.00   3.24  75.82) = 100.000%  kept
        T QB    GLU-  15 - HG2   GLU- 100  15.81 +/- 2.60   0.002% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  18.19 +/- 1.89   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  15.03 +/- 2.36   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  16.63 +/- 2.17   0.001% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  22.20 +/- 1.78   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.72 +/- 1.47   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  22.76 +/- 3.27   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.81 +/- 1.02   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.41 +/- 2.42   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  33.01 +/- 2.05   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.81 +/- 1.82   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.996% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.95 +/- 1.99   0.003% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  14.18 +/- 3.68   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.46 +/- 3.13   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.69 +/- 1.33   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.20 +/- 1.21   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.79 +/- 5.52   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.71 +/- 2.34   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.2:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.36 +/- 0.09  96.831% * 99.0531% (1.00  10.0 10.00   6.31 159.18) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.41 +/- 0.49   3.100% *  0.0338% (0.34   1.0  1.00   0.02  22.47) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.95 +/- 1.89   0.064% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.61 +/- 1.10   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.94 +/- 1.87   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.74 +/- 1.29   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.29 +/- 0.96   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.61 +/- 1.66   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  22.11 +/- 4.02   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  25.96 +/- 2.46   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 = 159.2:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.16 +/- 0.44  99.812% * 99.3298% (1.00  10.0 10.00   5.75 159.18) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.31 +/- 1.18   0.147% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  15.59 +/- 1.61   0.010% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.38 +/- 2.40   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.77 +/- 2.26   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.79 +/- 1.95   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.57 +/- 1.61   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.53 +/- 2.53   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.01 +/- 1.58   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.45 +/- 1.10   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.09 +/- 1.89   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  22.81 +/- 3.37   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.97 +/- 1.86   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 158.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.26 +/- 0.69  76.684% * 94.7207% (1.00  10.0 10.00   5.05 159.18) =  99.401%  kept
          QB    LEU   98 - HA    LYS+ 102   4.58 +/- 0.97  20.877% *  2.0860% (0.34   1.0  1.00   1.29   2.65) =   0.596%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.94 +/- 1.06   0.177% *  0.8960% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+ 102   6.62 +/- 0.89   2.211% *  0.0263% (0.28   1.0  1.00   0.02   2.65) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  17.09 +/- 1.20   0.006% *  0.8960% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.94 +/- 0.85   0.026% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.71 +/- 1.48   0.001% *  0.9285% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  17.00 +/- 1.27   0.006% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  20.03 +/- 2.82   0.003% *  0.0355% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  19.08 +/- 4.41   0.005% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.75 +/- 1.28   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.87 +/- 0.95   0.000% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.31 +/- 2.79   0.001% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.61 +/- 1.16   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.67 +/- 0.70  99.462% * 98.2489% (1.00 10.00   5.05 159.18) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.04 +/- 0.65   0.357% *  0.0219% (0.22  1.00   0.02   1.93) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  10.50 +/- 1.03   0.079% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102  10.39 +/- 1.31   0.085% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  16.04 +/- 3.54   0.007% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.10 +/- 2.30   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.10 +/- 1.17   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.51 +/- 1.96   0.004% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.39 +/- 4.19   0.001% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  21.16 +/- 4.09   0.001% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.65 +/- 1.10   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.91 +/- 0.98   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.17 +/- 0.36  99.711% * 98.4155% (1.00 10.00   5.05 159.18) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.07 +/- 0.49   0.226% *  0.6760% (0.69 10.00   0.02   1.93) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  11.46 +/- 1.19   0.063% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.2:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.09  99.924% * 99.1785% (1.00  10.0 10.00   6.31 159.18) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.95 +/- 1.89   0.066% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.96 +/- 1.76   0.006% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.83 +/- 1.35   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.10 +/- 1.41   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.64 +/- 0.91   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.91 +/- 1.50   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.64 +/- 0.97   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.48 +/- 2.45   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.19 +/- 2.73   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.92 +/- 2.07   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.49 +/- 1.51   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.2:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.13  98.579% * 96.6607% (1.00  10.0 10.00   5.31 159.18) =  99.999%  kept
          HG    LEU   40 - HB    VAL   41   5.78 +/- 0.93   0.747% *  0.0348% (0.36   1.0  1.00   0.02  18.91) =   0.000%
          HG    LEU   73 - HB    VAL   41   7.04 +/- 1.55   0.549% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.43 +/- 1.67   0.023% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.00 +/- 1.28   0.049% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.34 +/- 2.74   0.003% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  13.60 +/- 0.98   0.003% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.23 +/- 2.01   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  16.08 +/- 1.11   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.03 +/- 2.81   0.006% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.72 +/- 2.47   0.021% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.74 +/- 1.24   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.78 +/- 1.42   0.005% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.01 +/- 2.18   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  15.13 +/- 1.14   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.47 +/- 1.34   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.43 +/- 1.10   0.001% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.39 +/- 1.65   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  16.15 +/- 2.91   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.88 +/- 1.74   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.40 +/- 2.06   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.13 +/- 2.34   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.30 +/- 1.57   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.67 +/- 1.45   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  21.80 +/- 2.73   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  19.53 +/- 2.08   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.91, support = 4.61, residual support = 145.1:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.17  53.307% * 81.1240% (1.00  10.0 10.00   4.75 159.18) =  89.399%  kept
        T QB    LEU   98 - HB    VAL   41   3.09 +/- 1.76  41.225% * 12.4339% (0.15   1.0 10.00   3.44  26.65) =  10.597%  kept
        T HB    VAL   42 - HB    VAL   41   6.04 +/- 0.30   0.213% *  0.3573% (0.44   1.0 10.00   0.02  23.72) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   5.11 +/- 0.98   1.933% *  0.0277% (0.34   1.0  1.00   0.02   2.65) =   0.001%
          HG    LEU   98 - HB    VAL   41   4.38 +/- 1.67   2.530% *  0.0101% (0.12   1.0  1.00   0.02  26.65) =   0.001%
          HG    LEU   98 - QB    LYS+ 102   6.99 +/- 1.13   0.666% *  0.0226% (0.28   1.0  1.00   0.02   2.65) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.31 +/- 0.82   0.016% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41  10.10 +/- 1.12   0.022% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.88 +/- 0.90   0.004% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   8.67 +/- 1.73   0.065% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.94 +/- 1.51   0.006% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.08 +/- 1.22   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.83 +/- 1.31   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.35 +/- 1.20   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.97 +/- 1.88   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  16.10 +/- 1.07   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.18 +/- 0.79   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  16.01 +/- 3.94   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.70 +/- 1.15   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.70 +/- 1.41   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.38 +/- 2.62   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.13 +/- 2.03   0.001% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.51 +/- 1.33   0.001% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  19.13 +/- 2.28   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.31 +/- 0.91   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.60 +/- 2.59   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  18.22 +/- 4.41   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.17 +/- 1.00   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.31  98.675% * 94.6216% (1.00  10.0 10.00   4.75 159.18) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.77 +/- 1.27   0.061% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.11 +/- 1.33   0.780% *  0.0211% (0.22   1.0  1.00   0.02   1.93) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.16 +/- 1.73   0.035% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.03 +/- 0.67   0.021% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   8.27 +/- 1.95   0.222% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.49 +/- 1.00   0.138% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.73 +/- 1.03   0.035% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  13.67 +/- 3.05   0.007% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  20.16 +/- 4.11   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.69 +/- 1.17   0.001% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.99 +/- 0.76   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.39 +/- 0.99   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.51 +/- 1.55   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.76 +/- 2.18   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.51 +/- 1.52   0.015% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  18.20 +/- 3.71   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.69 +/- 1.50   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  15.74 +/- 3.48   0.002% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.87 +/- 2.81   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.36 +/- 1.90   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  20.47 +/- 3.39   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.50 +/- 0.93   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.04 +/- 0.79   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.54 +/- 0.45  99.165% * 97.2926% (1.00 10.00   4.75 159.18) =  99.995%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.29 +/- 1.07   0.444% *  0.6683% (0.69 10.00   0.02   1.93) =   0.003%
        T QE    LYS+  38 - QB    LYS+ 102   9.61 +/- 1.41   0.093% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.80 +/- 0.76   0.201% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.62 +/- 1.65   0.073% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.17 +/- 0.74   0.024% *  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 = 159.2:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.16 +/- 0.44  99.997% * 99.7392% (1.00  10.0 10.00   5.75 159.18) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.91 +/- 1.70   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.84 +/- 1.72   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.32 +/- 3.82   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.34 +/- 3.50   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.66 +/- 1.41   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.2:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.36 +/- 0.13  99.657% * 98.4503% (1.00  10.0 10.00   5.31 159.18) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.43 +/- 1.67   0.023% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   6.80 +/- 0.95   0.317% *  0.0336% (0.34   1.0  1.00   0.02  22.47) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.32 +/- 2.01   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.47 +/- 1.34   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.32 +/- 1.72   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.06 +/- 1.74   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.41 +/- 2.28   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.16 +/- 3.76   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.57 +/- 3.20   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 = 4.41, residual support = 159.2:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.900% * 96.7067% (1.00  10.0 10.00   4.41 159.18) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.27 +/- 1.82   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.31 +/- 1.12   0.082% *  0.0330% (0.34   1.0  1.00   0.02   2.65) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.39 +/- 1.14   0.014% *  0.0269% (0.28   1.0  1.00   0.02   2.65) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.85 +/- 1.72   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.03 +/- 1.07   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.45 +/- 2.09   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.58 +/- 1.38   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.60 +/- 4.19   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  21.83 +/- 2.84   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.51 +/- 2.99   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.54 +/- 1.67   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.93 +/- 2.33   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.22 +/- 1.45   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.2:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  99.840% * 98.2489% (1.00  10.0 10.00   4.41 159.18) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.57 +/- 1.45   0.127% *  0.0219% (0.22   1.0  1.00   0.02   1.93) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102   9.80 +/- 1.70   0.022% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.63 +/- 1.77   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  16.34 +/- 3.29   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.30 +/- 3.52   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.75 +/- 1.73   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.34 +/- 3.82   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.14 +/- 1.94   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  23.31 +/- 4.01   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.41 +/- 1.71   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.78 +/- 1.66   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.2:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.19 +/- 0.27  99.501% * 98.4155% (1.00  10.0 10.00   4.41 159.18) =  99.996%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.83 +/- 1.32   0.370% *  0.6760% (0.69   1.0 10.00   0.02   1.93) =   0.003%
        T QE    LYS+  38 - HG2   LYS+ 102  10.58 +/- 1.92   0.129% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.26 +/- 0.69  99.341% * 97.9004% (1.00  10.0 10.00   5.05 159.18) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.94 +/- 1.06   0.255% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.56 +/- 1.47   0.185% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  17.09 +/- 1.20   0.009% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.05 +/- 1.50   0.053% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.71 +/- 1.48   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  16.56 +/- 1.42   0.011% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.03 +/- 0.46   0.065% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.33 +/- 0.93   0.037% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.28 +/- 3.44   0.007% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  20.25 +/- 2.07   0.004% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.43 +/- 1.55   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.54 +/- 1.52   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.99 +/- 2.55   0.010% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  23.47 +/- 2.85   0.007% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  23.01 +/- 1.34   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.71 +/- 1.42   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.62 +/- 3.57   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.64 +/- 3.26   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.19 +/- 1.00   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.08 +/- 2.35   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.77 +/- 1.11   0.004% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  28.17 +/- 2.02   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.67 +/- 1.52   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.912, support = 5.11, residual support = 161.0:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.33 +/- 0.17  50.259% * 54.4770% (1.00  10.0 10.00   4.75 159.18) =  56.292%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.16  48.922% * 43.4551% (0.80  10.0  1.00   5.57 163.31) =  43.708%  kept
          HB3   GLN   17 - HG3   LYS+  65   6.66 +/- 1.77   0.348% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.39 +/- 0.48   0.146% *  0.0305% (0.56   1.0  1.00   0.02  24.90) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33  10.10 +/- 1.12   0.014% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.94 +/- 1.51   0.007% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.04 +/- 0.77   0.095% *  0.0186% (0.34   1.0  1.00   0.02  22.47) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.31 +/- 0.82   0.015% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   8.30 +/- 0.67   0.029% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.78 +/- 1.43   0.149% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.08 +/- 1.22   0.005% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.83 +/- 1.31   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.90 +/- 0.87   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.35 +/- 1.20   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.04 +/- 1.40   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.97 +/- 1.88   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.73 +/- 1.94   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.22 +/- 1.35   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.27 +/- 1.13   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.45 +/- 2.12   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.60 +/- 1.42   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.73 +/- 2.22   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.75 +/- 1.89   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.58 +/- 0.77   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.76 +/- 1.91   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.95 +/- 1.27   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  18.96 +/- 0.88   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.67 +/- 1.35   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.34 +/- 1.40   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.20 +/- 2.36   0.001% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.87 +/- 1.85   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.66 +/- 1.46   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.24 +/- 1.86   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.96 +/- 2.41   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.50 +/- 3.77   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.69 +/- 2.32   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.31 +/- 1.37   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.84 +/- 3.08   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.64 +/- 3.90   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.22 +/- 1.73   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.2:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  95.586% * 96.9231% (1.00  10.0 10.00   4.41 159.18) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.05 +/- 1.35   4.274% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HG3   LYS+  65   6.49 +/- 1.21   0.091% *  0.0684% (0.71   1.0  1.00   0.02  24.90) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.27 +/- 1.82   0.003% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.18 +/- 1.06   0.007% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.60 +/- 1.02   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.37 +/- 1.00   0.005% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.82 +/- 1.53   0.009% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.43 +/- 1.39   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   9.63 +/- 0.96   0.004% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.85 +/- 1.72   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.33 +/- 1.18   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  11.52 +/- 1.38   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.11 +/- 1.25   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.24 +/- 1.33   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.96 +/- 1.21   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.19 +/- 3.19   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.65 +/- 1.01   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.42 +/- 1.61   0.002% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.45 +/- 3.03   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.54 +/- 1.19   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.45 +/- 2.09   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.81 +/- 1.32   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.41 +/- 2.60   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.68 +/- 1.72   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.67 +/- 1.60   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  14.72 +/- 2.16   0.001% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.07 +/- 2.22   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  16.54 +/- 1.52   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  17.52 +/- 1.81   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.38 +/- 2.20   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.26 +/- 1.61   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.54 +/- 2.29   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.31 +/- 1.50   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.87 +/- 2.35   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.52 +/- 1.00   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  17.46 +/- 3.59   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.98 +/- 2.08   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.73 +/- 1.20   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.74 +/- 0.69   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.36 +/- 2.16   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.78 +/- 1.42   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.74 +/- 2.33   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  21.86 +/- 2.41   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.32 +/- 2.22   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  25.22 +/- 3.05   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.23 +/- 1.28   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.32 +/- 2.13   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  20.53 +/- 2.85   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.67 +/- 2.15   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  23.08 +/- 2.28   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  26.73 +/- 1.85   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 = 0.79, support = 4.11, residual support = 159.9:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.47 +/- 0.09  31.581% * 63.6907% (1.00  10.0 10.00   4.00 159.18) =  63.274%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.42 +/- 0.15  36.668% * 29.3443% (0.46  10.0 10.00   4.28 163.31) =  33.849%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.48 +/- 0.12  31.607% *  2.8935% (0.05  10.0  1.00   4.63 135.76) =   2.877%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106  10.00 +/- 1.64   0.020% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.00 +/- 1.49   0.060% *  0.0142% (0.22   1.0  1.00   0.02   1.93) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.80 +/- 1.00   0.005% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.10 +/- 1.56   0.010% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.16 +/- 1.04   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.85 +/- 1.33   0.006% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  17.00 +/- 1.58   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.90 +/- 2.84   0.016% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.92 +/- 2.18   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.75 +/- 1.63   0.004% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.64 +/- 1.67   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.77 +/- 1.77   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.94 +/- 2.14   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.48 +/- 1.42   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.23 +/- 2.09   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.60 +/- 1.80   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.77 +/- 1.27   0.009% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.45 +/- 3.41   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.21 +/- 1.95   0.001% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.64 +/- 3.24   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.64 +/- 1.90   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.22 +/- 1.90   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.32 +/- 1.29   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  14.05 +/- 1.53   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.76 +/- 0.94   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.96 +/- 1.24   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  21.70 +/- 3.87   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.32 +/- 2.63   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  18.72 +/- 3.56   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.68 +/- 1.27   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.08 +/- 1.96   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.52 +/- 1.07   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.09 +/- 1.72   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.10 +/- 1.36   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  23.63 +/- 3.75   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.70 +/- 1.32   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  18.95 +/- 3.16   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.70 +/- 2.12   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.01 +/- 1.45   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.86 +/- 2.15   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.95 +/- 1.71   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.20 +/- 1.84   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.30 +/- 4.12   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.70 +/- 2.23   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.32 +/- 1.15   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 = 159.2:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.24 +/- 0.21  99.904% * 94.7812% (1.00  10.0 10.00   4.00 159.18) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.34 +/- 1.23   0.027% *  0.6511% (0.69   1.0 10.00   0.02   1.93) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  10.87 +/- 1.78   0.017% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.22 +/- 1.20   0.009% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.19 +/- 1.31   0.017% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.07 +/- 1.65   0.019% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.85 +/- 1.66   0.004% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  17.41 +/- 1.54   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.47 +/- 1.30   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.40 +/- 2.04   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.04 +/- 2.09   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.86 +/- 1.32   0.001% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.67 +/- 0.70  99.123% * 99.0980% (1.00 10.00   5.05 159.18) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.27 +/- 1.28   0.752% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  14.78 +/- 3.15   0.059% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.14 +/- 1.54   0.033% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  15.33 +/- 1.48   0.007% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.88 +/- 3.35   0.012% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.10 +/- 1.17   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.10 +/- 2.30   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  18.65 +/- 3.51   0.005% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.16 +/- 1.67   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.18 +/- 1.72   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  18.65 +/- 2.30   0.004% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.55 +/- 1.38   0.001% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.83 +/- 1.35   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.17 +/- 3.26   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.83 +/- 3.72   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.56 +/- 2.51   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.77 +/- 2.69   0.001% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.782, support = 4.83, residual support = 160.4:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.36 +/- 0.31  36.539% * 77.3438% (1.00  10.0 10.00   4.75 159.18) =  71.053%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.11  60.065% * 19.1619% (0.25  10.0 10.00   5.04 163.31) =  28.937%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  10.67 +/- 4.06   2.038% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.010%
          HG12  ILE  103 - QD    LYS+ 102   5.88 +/- 1.10   0.354% *  0.0264% (0.34   1.0  1.00   0.02  22.47) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   5.90 +/- 1.53   0.543% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.16 +/- 1.73   0.009% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.39   0.084% *  0.0134% (0.17   1.0  1.00   0.02  24.90) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111   9.70 +/- 2.61   0.361% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.72 +/- 1.54   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.07 +/- 1.15   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.60 +/- 1.84   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.48 +/- 1.49   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  13.69 +/- 1.74   0.001% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.10 +/- 2.02   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.30 +/- 1.02   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.39 +/- 0.99   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.37 +/- 3.40   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.51 +/- 1.55   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.01 +/- 1.94   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.76 +/- 2.18   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.72 +/- 1.19   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.13 +/- 1.89   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.36 +/- 1.90   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.71 +/- 2.03   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.77 +/- 1.98   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.58 +/- 2.72   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.45 +/- 2.19   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.42 +/- 1.40   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.33 +/- 1.21   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.64 +/- 2.67   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  89.057% * 98.4875% (1.00  10.0 10.00   4.41 159.18) =  99.998%  kept
          QB    ALA   61 - QD    LYS+  65   4.04 +/- 1.01   9.664% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   5.55 +/- 1.04   0.832% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   6.33 +/- 1.02   0.299% *  0.0216% (0.22   1.0  1.00   0.02  24.90) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.96 +/- 1.14   0.009% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.92 +/- 1.43   0.030% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   9.17 +/- 0.76   0.020% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.60 +/- 0.91   0.016% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.67 +/- 1.52   0.043% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.01 +/- 1.75   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.85 +/- 2.58   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  13.49 +/- 1.42   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  10.85 +/- 1.47   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.07 +/- 2.42   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.60 +/- 1.46   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.74 +/- 1.84   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  16.07 +/- 2.15   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.99 +/- 1.01   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.42 +/- 1.05   0.003% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.30 +/- 3.52   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.56 +/- 1.81   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.75 +/- 1.73   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.00 +/- 1.15   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.27 +/- 2.85   0.002% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.94 +/- 1.89   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.06 +/- 1.96   0.001% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.76 +/- 1.98   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.88 +/- 1.54   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.66 +/- 1.36   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.90 +/- 1.82   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.71 +/- 2.05   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  22.38 +/- 3.20   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.09 +/- 2.71   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.21 +/- 2.33   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.31 +/- 2.25   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.35 +/- 2.27   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.24 +/- 2.46   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.30 +/- 3.60   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.53 +/- 2.48   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.835, support = 4.06, residual support = 160.1:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.47 +/- 0.09  46.207% * 76.0877% (1.00  10.0 10.00   4.00 159.18) =  78.006%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.42 +/- 0.15  52.582% * 18.8507% (0.25  10.0 10.00   4.28 163.31) =  21.992%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  11.78 +/- 3.50   0.494% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+ 102  10.00 +/- 1.64   0.030% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.18 +/- 1.10   0.320% *  0.0260% (0.34   1.0  1.00   0.02   2.65) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.50 +/- 1.19   0.279% *  0.0197% (0.26   1.0  1.00   0.02  27.53) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.06 +/- 1.18   0.059% *  0.0212% (0.28   1.0  1.00   0.02   2.65) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  17.00 +/- 1.58   0.000% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.92 +/- 2.18   0.002% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  17.30 +/- 1.29   0.000% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.47 +/- 0.79   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.33 +/- 0.78   0.003% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.48 +/- 1.42   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.60 +/- 1.80   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  13.41 +/- 1.41   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.32 +/- 1.29   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.14 +/- 1.48   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.23 +/- 2.09   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.17 +/- 2.35   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  11.68 +/- 1.63   0.006% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.45 +/- 3.41   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.86 +/- 2.25   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.22 +/- 1.90   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.94 +/- 1.82   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.30 +/- 3.77   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.34 +/- 2.85   0.000% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.37 +/- 1.66   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.21 +/- 1.41   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.10 +/- 1.86   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.58 +/- 2.83   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  22.93 +/- 2.71   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.46 +/- 2.10   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.97 +/- 0.72   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.70 +/- 2.12   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.43 +/- 1.52   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.45 +/- 1.11   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.36 +/- 1.37   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.91 +/- 1.39   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.24 +/- 2.20   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 1.39   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.19 +/- 2.96   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.05 +/- 2.88   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 = 159.2:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.02  99.963% * 97.1326% (1.00  10.0 10.00   4.00 159.18) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.14 +/- 1.09   0.021% *  0.6672% (0.69   1.0 10.00   0.02   1.93) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.61 +/- 1.94   0.015% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.53 +/- 1.36   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.67 +/- 2.23   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.38 +/- 2.87   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.39 +/- 1.78   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.71 +/- 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  29.66 +/- 2.48   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.17 +/- 0.36  99.689% * 98.6090% (1.00 10.00   5.05 159.18) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.07 +/- 0.49   0.226% *  0.6725% (0.68 10.00   0.02   1.93) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  11.46 +/- 1.19   0.063% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.50 +/- 1.33   0.005% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.52 +/- 1.63   0.001% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  20.20 +/- 1.47   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.12 +/- 1.68   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.47 +/- 0.92   0.004% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  28.91 +/- 3.38   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  19.34 +/- 1.04   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  26.28 +/- 2.98   0.001% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.77 +/- 2.26   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  22.21 +/- 1.20   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.57 +/- 2.03   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.79 +/- 1.08   0.002% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.33 +/- 1.63   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  31.01 +/- 1.86   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.26 +/- 1.72   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.54 +/- 0.45  97.891% * 97.3354% (1.00 10.00   4.75 159.18) =  99.995%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.29 +/- 1.07   0.434% *  0.6638% (0.68 10.00   0.02   1.93) =   0.003%
        T HB    VAL   41 - QE    LYS+  99   7.80 +/- 0.76   0.197% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102  10.62 +/- 1.65   0.072% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+ 102   6.09 +/- 0.71   0.980% *  0.0332% (0.34  1.00   0.02  22.47) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.61 +/- 1.41   0.091% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   7.99 +/- 1.08   0.180% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.17 +/- 0.74   0.024% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.76 +/- 1.28   0.047% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.65 +/- 1.31   0.020% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.55 +/- 1.35   0.006% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.69 +/- 1.31   0.020% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  14.22 +/- 1.17   0.005% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  14.80 +/- 4.94   0.016% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.37 +/- 2.29   0.001% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.38 +/- 1.43   0.003% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  13.97 +/- 1.23   0.006% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.08 +/- 1.89   0.000% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.61 +/- 1.21   0.000% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.12 +/- 1.23   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  18.19 +/- 2.14   0.002% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.87 +/- 1.92   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.16 +/- 2.31   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.39 +/- 2.67   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.71 +/- 3.60   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.67 +/- 2.68   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.29 +/- 2.11   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.81 +/- 1.66   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.82 +/- 4.20   0.001% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  30.32 +/- 2.16   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 4.38, residual support = 157.7:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.19 +/- 0.27  71.502% * 95.4003% (1.00  10.0 10.00   4.41 159.18) =  98.992%  kept
          HG    LEU   40 - QE    LYS+  99   4.15 +/- 1.06  27.110% *  2.5528% (0.55   1.0  1.00   0.98  11.90) =   1.004%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.83 +/- 1.32   0.292% *  0.6506% (0.68   1.0 10.00   0.02   1.93) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  38  10.58 +/- 1.92   0.088% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   9.29 +/- 2.14   0.341% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   9.01 +/- 1.79   0.267% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.48 +/- 1.00   0.040% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.82 +/- 1.47   0.044% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.71 +/- 1.55   0.101% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.40 +/- 1.54   0.030% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.31 +/- 2.83   0.023% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.53 +/- 2.66   0.012% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.54 +/- 3.18   0.046% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  16.41 +/- 1.16   0.004% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.08 +/- 2.28   0.004% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.73 +/- 0.99   0.008% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.78 +/- 1.69   0.016% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.53 +/- 1.85   0.004% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.84 +/- 2.72   0.013% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.32 +/- 2.26   0.008% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.28 +/- 1.08   0.007% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.23 +/- 2.68   0.010% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.78 +/- 1.61   0.001% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.99 +/- 1.98   0.003% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.97 +/- 1.32   0.002% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.21 +/- 1.58   0.004% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.67 +/- 2.20   0.003% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.91 +/- 2.03   0.002% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.35 +/- 2.12   0.002% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.60 +/- 1.88   0.006% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.96 +/- 1.76   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  22.57 +/- 3.00   0.001% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.50 +/- 2.75   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.05 +/- 1.59   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.45 +/- 2.51   0.002% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.54 +/- 1.84   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  24.08 +/- 2.60   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.43 +/- 1.77   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.79 +/- 1.98   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.2:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.24 +/- 0.21  98.911% * 93.0940% (1.00  10.0 10.00   4.00 159.18) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.34 +/- 1.23   0.027% *  0.6349% (0.68   1.0 10.00   0.02   1.93) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102  10.19 +/- 1.31   0.016% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.55 +/- 1.15   0.403% *  0.0318% (0.34   1.0  1.00   0.02   2.65) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.07 +/- 1.65   0.019% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.63 +/- 0.51   0.202% *  0.0217% (0.23   1.0  1.00   0.02  18.51) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.08 +/- 0.87   0.063% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.87 +/- 1.78   0.017% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.47 +/- 1.34   0.136% *  0.0259% (0.28   1.0  1.00   0.02   2.65) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.85 +/- 1.66   0.004% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.22 +/- 1.20   0.009% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.18 +/- 0.93   0.066% *  0.0177% (0.19   1.0  1.00   0.02  18.51) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  17.41 +/- 1.54   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  11.85 +/- 5.13   0.077% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.47 +/- 1.30   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.94 +/- 0.93   0.002% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.02 +/- 0.95   0.023% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.47 +/- 1.17   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.86 +/- 1.32   0.001% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.04 +/- 2.09   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  13.88 +/- 1.26   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.67 +/- 1.22   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.46 +/- 1.71   0.007% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.67 +/- 2.25   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.40 +/- 2.04   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.67 +/- 3.92   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.59 +/- 2.64   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.94 +/- 1.18   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  19.40 +/- 2.59   0.000% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.56 +/- 1.54   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.53 +/- 1.25   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.26 +/- 2.94   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  17.57 +/- 4.67   0.002% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.36 +/- 1.31   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.24 +/- 1.52   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  20.04 +/- 1.95   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.28 +/- 1.09   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.68 +/- 1.21   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  23.03 +/- 1.81   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.07 +/- 1.62   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.76 +/- 1.67   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.49 +/- 1.33   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.778, support = 4.01, residual support = 169.6:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.02  31.367% * 72.2175% (1.00  10.0 10.00   4.00 159.18) =  73.245%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  34.215% * 13.2369% (0.18  10.0  1.00   3.74 219.04) =  14.644%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.155% * 10.9650% (0.15  10.0 10.00   4.36 173.09) =  12.110%  kept
          QD    LYS+  38 - QE    LYS+  99   6.75 +/- 1.58   0.195% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.14 +/- 1.09   0.006% *  0.4925% (0.68   1.0 10.00   0.02   1.93) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.50 +/- 1.12   0.011% *  0.1608% (0.22   1.0 10.00   0.02   1.93) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.78 +/- 1.44   0.027% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.61 +/- 1.94   0.005% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102  10.25 +/- 1.60   0.004% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.54 +/- 1.64   0.003% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.40 +/- 1.35   0.003% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  11.46 +/- 3.25   0.004% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  14.08 +/- 4.97   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.53 +/- 1.36   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.32 +/- 3.15   0.001% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.38 +/- 2.87   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.19 +/- 1.25   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.39 +/- 1.78   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.71 +/- 2.49   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  20.04 +/- 3.70   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.55 +/- 1.40   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.67 +/- 2.23   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.22 +/- 1.60   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  20.92 +/- 3.57   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.42 +/- 1.19   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.92 +/- 1.15   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.06 +/- 1.42   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  21.28 +/- 3.28   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.11 +/- 1.22   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.88 +/- 1.01   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.09 +/- 4.13   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.64 +/- 2.72   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.66 +/- 2.48   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.96 +/- 3.11   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.01 +/- 1.57   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  27.53 +/- 1.27   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.732, support = 5.77, residual support = 135.8:
    * O T HB    ILE  103 - HA    ILE  103   2.96 +/- 0.05  27.714% * 82.5223% (1.00  10.0 10.00   5.66 135.77) =  66.611%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.52 +/- 0.26  70.193% * 16.3310% (0.20  10.0 10.00   5.98 135.77) =  33.387%  kept
          QB    LYS+ 106 - HA    ILE  103   6.77 +/- 1.07   0.249% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.29 +/- 0.61   0.147% *  0.0818% (0.99   1.0  1.00   0.02   2.36) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.78 +/- 0.31   1.605% *  0.0068% (0.08   1.0  1.00   0.02  27.89) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.36 +/- 0.77   0.061% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  19.00 +/- 3.06   0.008% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.93 +/- 0.64   0.002% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  12.84 +/- 1.19   0.005% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  15.42 +/- 0.75   0.001% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.35 +/- 0.69   0.003% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.80 +/- 1.24   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.30 +/- 1.13   0.002% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.95 +/- 3.87   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.55 +/- 1.15   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  22.68 +/- 2.40   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  22.96 +/- 1.75   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.70 +/- 1.69   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.00 +/- 2.39   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  20.07 +/- 4.98   0.001% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.53 +/- 1.83   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.98 +/- 1.55   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  24.18 +/- 1.17   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  29.11 +/- 1.68   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  30.23 +/- 1.31   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.21 +/- 2.09   0.000% *  0.0112% (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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.947, support = 5.3, residual support = 135.8:
    * O T QG2   ILE  103 - HA    ILE  103   2.67 +/- 0.18  78.550% * 68.5552% (1.00  10.0 10.00   5.34 135.77) =  90.344%  kept
        T QD1   ILE  103 - HA    ILE  103   3.56 +/- 0.43  18.724% * 30.7355% (0.45   1.0 10.00   4.92 135.77) =   9.655%  kept
          QD2   LEU   40 - HA    ILE  103   5.72 +/- 0.74   1.050% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.95 +/- 0.27   0.702% *  0.0219% (0.32   1.0  1.00   0.02  23.70) =   0.000%
          QD2   LEU   71 - HA    THR   39   5.96 +/- 0.54   0.841% *  0.0128% (0.19   1.0  1.00   0.02   0.23) =   0.000%
          QD1   LEU   67 - HA    ILE  103  10.84 +/- 1.66   0.026% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.33 +/- 1.30   0.077% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.64 +/- 0.54   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.91 +/- 1.16   0.007% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.73 +/- 0.63   0.007% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.96 +/- 2.71   0.004% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.68 +/- 1.41   0.002% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.29 +/- 0.92   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.86 +/- 3.12   0.002% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.10 +/- 1.06   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.17 +/- 0.72   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 = 0.565, support = 5.14, residual support = 135.8:
      O T QG2   ILE  103 - HA    ILE  103   2.67 +/- 0.18  78.552% * 21.1374% (0.25  10.0 10.00   5.34 135.77) =  53.122%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.56 +/- 0.43  18.724% * 78.2519% (0.92   1.0 10.00   4.92 135.77) =  46.877%  kept
          QD2   LEU   71 - HA    THR   39   5.96 +/- 0.54   0.841% *  0.0234% (0.28   1.0  1.00   0.02   0.23) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.72 +/- 0.74   1.050% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.95 +/- 0.27   0.702% *  0.0043% (0.05   1.0  1.00   0.02  23.70) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.91 +/- 1.16   0.007% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.64 +/- 0.54   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.73 +/- 0.63   0.007% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  10.84 +/- 1.66   0.026% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.33 +/- 1.30   0.077% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.96 +/- 2.71   0.004% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.86 +/- 3.12   0.002% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.29 +/- 0.92   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.10 +/- 1.06   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 135.8:
    * O T HA    ILE  103 - HB    ILE  103   2.96 +/- 0.05  99.974% * 98.6567% (1.00  10.0 10.00   5.66 135.77) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.93 +/- 0.64   0.006% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.48 +/- 1.26   0.013% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  20.93 +/- 2.33   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  22.10 +/- 4.29   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  19.84 +/- 5.46   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.77 +/- 3.19   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.87 +/- 1.98   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  25.84 +/- 2.28   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.01 +/- 3.10   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.48 +/- 1.83   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.35 +/- 2.71   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.875, support = 4.22, residual support = 135.8:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.360% * 68.8462% (1.00  10.0 10.00   4.06 135.77) =  77.265%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.32  39.615% * 30.8659% (0.45  10.0 10.00   4.73 135.77) =  22.735%  kept
          QD2   LEU   40 - HB    ILE  103   8.05 +/- 0.62   0.022% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.91 +/- 1.56   0.002% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.96 +/- 0.63   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.90 +/- 1.72   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.29 +/- 2.51   0.000% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  21.08 +/- 1.05   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.727, support = 4.53, residual support = 135.8:
    * O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.32  39.615% * 78.5650% (0.92  10.0 10.00   4.73 135.77) =  70.843%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.361% * 21.2220% (0.25  10.0 10.00   4.06 135.77) =  29.157%  kept
          QD2   LEU   40 - HB    ILE  103   8.05 +/- 0.62   0.022% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.96 +/- 0.63   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.29 +/- 2.51   0.000% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.91 +/- 1.56   0.002% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  21.08 +/- 1.05   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 135.8:
    * O T HA    ILE  103 - QG2   ILE  103   2.67 +/- 0.18  99.935% * 98.6567% (1.00  10.0 10.00   5.34 135.77) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.64 +/- 0.54   0.009% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103  10.00 +/- 0.96   0.043% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.62 +/- 1.76   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  18.07 +/- 3.22   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  16.56 +/- 4.18   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.67 +/- 1.62   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.81 +/- 2.56   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  21.01 +/- 1.67   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.48 +/- 2.46   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.65 +/- 1.55   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.13 +/- 2.26   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.986, support = 4.09, residual support = 135.8:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  87.127% * 82.9317% (1.00  10.0 10.00   4.06 135.77) =  98.263%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.18 +/- 0.11   7.763% * 16.4121% (0.20  10.0 10.00   5.32 135.77) =   1.733%  kept
          QB    LYS+ 106 - QG2   ILE  103   4.37 +/- 1.14   4.726% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.36 +/- 0.40   0.379% *  0.0822% (0.99   1.0  1.00   0.02   2.36) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.17 +/- 2.47   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.85 +/- 0.58   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.66 +/- 2.72   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.59 +/- 0.45   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  17.93 +/- 1.64   0.000% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.51 +/- 1.48   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.03 +/- 2.20   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  18.76 +/- 2.13   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.56 +/- 1.58   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.92, residual support = 135.8:
    *   T HA    ILE  103 - QD1   ILE  103   3.56 +/- 0.43  99.512% * 98.6567% (0.92 10.00   4.92 135.77) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.91 +/- 1.16   0.052% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.93 +/- 1.65   0.282% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  16.46 +/- 3.77   0.024% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  15.56 +/- 2.39   0.023% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  14.62 +/- 4.64   0.080% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.95 +/- 2.72   0.007% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  19.67 +/- 2.39   0.005% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.24 +/- 1.87   0.010% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.29 +/- 2.57   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.75 +/- 1.77   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.10 +/- 2.25   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.761, support = 4.7, residual support = 135.8:
    * O T HB    ILE  103 - QD1   ILE  103   2.32 +/- 0.32  40.364% * 82.9317% (0.92  10.0 10.00   4.73 135.77) =  78.104%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.01  57.168% * 16.4121% (0.18  10.0 10.00   4.62 135.77) =  21.892%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.18 +/- 1.57   2.419% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   ILE  103   7.77 +/- 0.93   0.046% *  0.0822% (0.91   1.0  1.00   0.02   2.36) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  14.09 +/- 1.15   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.45 +/- 2.59   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.01 +/- 2.25   0.000% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  17.38 +/- 2.74   0.000% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.62 +/- 1.05   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.45 +/- 2.26   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.40 +/- 1.67   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.78 +/- 3.01   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.79 +/- 1.74   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.1:
    * O T HB2   LEU  104 - HA    LEU  104   2.97 +/- 0.15  99.920% * 99.7433% (0.87  10.0 10.00   5.98 219.12) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.55 +/- 0.49   0.054% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  13.84 +/- 2.00   0.016% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.69 +/- 1.90   0.010% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.84 +/- 1.14   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.43 +/- 0.10  99.956% * 99.4463% (0.76  10.0 10.00   5.31 219.12) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.11 +/- 1.20   0.027% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  13.28 +/- 3.11   0.008% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  12.97 +/- 0.96   0.005% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  14.22 +/- 1.55   0.003% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.99 +/- 1.16   0.001% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 219.1:
    * O T HG    LEU  104 - HA    LEU  104   3.33 +/- 0.35  98.432% * 99.5259% (1.00  10.0 10.00   5.85 219.12) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   9.48 +/- 3.68   0.897% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104  10.27 +/- 3.58   0.641% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  17.42 +/- 2.95   0.010% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.75 +/- 2.43   0.011% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.62 +/- 0.67   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  20.10 +/- 1.35   0.003% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.36 +/- 1.14   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.89 +/- 1.48   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 0.13 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.67 +/- 0.34  99.695% * 98.8828% (0.96 10.00   5.31 219.12) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  11.41 +/- 1.28   0.172% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.63 +/- 0.96   0.048% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.77 +/- 1.47   0.048% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  18.82 +/- 3.89   0.014% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.89 +/- 2.39   0.007% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  17.50 +/- 2.73   0.016% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 5.96, residual support = 216.4:
    *   T QD2   LEU  104 - HA    LEU  104   2.27 +/- 0.53  95.017% * 79.5030% (1.00 10.00   6.01 219.12) =  98.734%  kept
        T QD1   LEU   98 - HA    LEU  104   6.02 +/- 1.09   4.907% * 19.7311% (0.31 10.00   1.61   6.17) =   1.265%  kept
        T QG1   VAL   41 - HA    LEU  104  10.00 +/- 1.48   0.033% *  0.1573% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.13 +/- 1.45   0.039% *  0.0271% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.57 +/- 0.90   0.001% *  0.4501% (0.56 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.13 +/- 1.21   0.002% *  0.0546% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.28 +/- 1.43   0.001% *  0.0767% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.1:
    * O T HA    LEU  104 - HB2   LEU  104   2.97 +/- 0.15  99.997% * 99.7454% (0.87  10.0 10.00   5.98 219.12) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  20.94 +/- 4.85   0.001% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.79 +/- 1.93   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  23.42 +/- 4.57   0.001% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.86 +/- 2.81   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 219.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.973% * 99.4463% (0.66  10.0 10.00   5.43 219.12) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.98 +/- 1.13   0.020% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  11.78 +/- 3.44   0.003% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  11.19 +/- 1.07   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.71 +/- 1.84   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.94 +/- 1.36   0.000% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.50 +/- 0.24  98.777% * 99.5259% (0.87  10.0 10.00   6.00 219.12) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   8.29 +/- 3.93   0.754% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   9.06 +/- 3.75   0.458% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.69 +/- 2.33   0.006% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  16.68 +/- 2.77   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.46 +/- 1.05   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  18.35 +/- 1.39   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.28 +/- 1.74   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.76 +/- 1.33   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 219.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.45 +/- 0.26  99.927% * 98.8828% (0.84  10.0 10.00   5.43 219.12) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   9.51 +/- 1.58   0.047% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  12.04 +/- 1.16   0.011% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.36 +/- 1.90   0.011% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  17.98 +/- 3.68   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.67 +/- 2.28   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  16.78 +/- 2.51   0.002% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.27, residual support = 219.1:
    * O T QD2   LEU  104 - HB2   LEU  104   3.05 +/- 0.29  93.166% * 99.0156% (0.87  10.0 10.00   6.27 219.12) =  99.997%  kept
          QD1   LEU   98 - HB2   LEU  104   5.75 +/- 1.14   6.161% *  0.0306% (0.27   1.0  1.00   0.02   6.17) =   0.002%
        T QG1   VAL   41 - HB2   LEU  104   8.80 +/- 1.50   0.297% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.84 +/- 1.56   0.353% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.45 +/- 1.21   0.010% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.36 +/- 1.53   0.008% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.63 +/- 1.39   0.006% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.43 +/- 0.10  99.999% * 99.7454% (0.76  10.0 10.00   5.31 219.12) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  22.07 +/- 5.13   0.000% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  24.63 +/- 4.90   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.85 +/- 2.16   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.81 +/- 3.00   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 = 219.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.7433% (0.66  10.0 10.00   5.43 219.12) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.85 +/- 0.51   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.68 +/- 2.46   0.001% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.25 +/- 2.12   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.12 +/- 1.20   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 = 219.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.82 +/- 0.27  95.380% * 99.5259% (0.76  10.0 10.00   5.27 219.12) =  99.997%  kept
          HB3   LYS+ 121 - HB3   LEU  104   8.11 +/- 4.12   1.755% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HB3   LEU  104   8.88 +/- 3.98   2.847% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  15.07 +/- 2.69   0.009% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  17.21 +/- 2.86   0.003% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.88 +/- 0.95   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  19.53 +/- 1.55   0.001% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.26 +/- 1.92   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.97 +/- 1.44   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 219.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.43 +/- 0.36  99.950% * 98.8828% (0.74  10.0 10.00   5.00 219.12) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.40 +/- 1.44   0.035% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.28 +/- 1.23   0.005% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.89 +/- 1.78   0.006% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  19.16 +/- 3.90   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.92 +/- 2.39   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  17.86 +/- 2.69   0.001% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.46, residual support = 219.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.63 +/- 0.30  94.767% * 99.0156% (0.76  10.0 10.00   5.46 219.12) =  99.998%  kept
          QD1   LEU   98 - HB3   LEU  104   6.67 +/- 1.47   5.118% *  0.0306% (0.24   1.0  1.00   0.02   6.17) =   0.002%
        T QG1   VAL   41 - HB3   LEU  104   9.81 +/- 1.60   0.058% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.52 +/- 1.28   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.13 +/- 1.62   0.049% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.48 +/- 1.63   0.002% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  16.79 +/- 1.30   0.002% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 219.1:
    * O T HA    LEU  104 - HG    LEU  104   3.33 +/- 0.35  99.987% * 99.7454% (1.00  10.0 10.00   5.85 219.12) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  21.37 +/- 5.36   0.008% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  23.61 +/- 5.14   0.003% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.90 +/- 2.39   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.67 +/- 3.21   0.001% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.50 +/- 0.24  99.972% * 99.7433% (0.87  10.0 10.00   6.00 219.12) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.39 +/- 0.96   0.015% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  13.78 +/- 2.57   0.006% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  14.11 +/- 2.21   0.006% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.57 +/- 1.64   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 219.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.82 +/- 0.27  99.177% * 99.4463% (0.76  10.0 10.00   5.27 219.12) =  99.999%  kept
          QG1   VAL   70 - HG    LEU  104   8.50 +/- 1.59   0.728% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU  104  10.93 +/- 1.49   0.045% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  13.10 +/- 3.45   0.028% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  13.22 +/- 1.99   0.018% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  15.71 +/- 1.62   0.005% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 219.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.985% * 98.8828% (0.97  10.0 10.00   5.27 219.12) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.98 +/- 1.65   0.008% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  12.09 +/- 1.35   0.004% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.08 +/- 2.00   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  18.13 +/- 3.99   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.98 +/- 2.61   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.61 +/- 2.86   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 219.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  95.705% * 99.0156% (1.00  10.0 10.00   5.99 219.12) =  99.999%  kept
          QD1   LEU   98 - HG    LEU  104   5.43 +/- 1.29   4.177% *  0.0306% (0.31   1.0  1.00   0.02   6.17) =   0.001%
        T QG1   VAL   41 - HG    LEU  104   8.13 +/- 1.54   0.053% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.10 +/- 1.85   0.062% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.34 +/- 1.42   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.41 +/- 1.74   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.71 +/- 1.54   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.67 +/- 0.34  99.440% * 99.2875% (0.96 10.00   5.31 219.12) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  11.41 +/- 1.28   0.172% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.63 +/- 0.96   0.047% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  18.76 +/- 4.62   0.038% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  11.94 +/- 0.98   0.104% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  20.56 +/- 4.45   0.018% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.33 +/- 2.09   0.011% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.64 +/- 2.84   0.041% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.44 +/- 2.29   0.035% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  14.67 +/- 3.05   0.042% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.40 +/- 1.34   0.024% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.48 +/- 2.71   0.004% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  17.90 +/- 2.87   0.013% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  19.85 +/- 2.46   0.006% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.86 +/- 1.98   0.005% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.774, support = 5.42, residual support = 219.5:
    * O T HB2   LEU  104 - QD1   LEU  104   2.45 +/- 0.26  29.229% * 92.7736% (0.84  10.0 10.00   5.43 219.12) =  92.108%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  62.302% *  3.4498% (0.03  10.0 10.00   5.61 242.39) =   7.301%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.35 +/- 1.50   7.627% *  2.2778% (0.10   1.0 10.00   0.41   0.02) =   0.590%  kept
          QG2   VAL  108 - QD1   LEU   63   7.70 +/- 1.68   0.785% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE  119 - QD1   LEU  104  11.12 +/- 2.35   0.006% *  0.6055% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   9.51 +/- 1.58   0.013% *  0.1709% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.21 +/- 2.03   0.008% *  0.1873% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.05 +/- 0.96   0.007% *  0.1032% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  12.04 +/- 1.16   0.002% *  0.1709% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  13.01 +/- 1.82   0.002% *  0.1115% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.70 +/- 1.72   0.013% *  0.0104% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.41 +/- 1.54   0.004% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.28 +/- 1.32   0.002% *  0.0345% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.96 +/- 1.28   0.000% *  0.0563% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.32 +/- 2.22   0.000% *  0.0104% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.692, support = 5.06, residual support = 220.7:
    * O T HB3   LEU  104 - QD1   LEU  104   2.43 +/- 0.36  51.273% * 89.6045% (0.74  10.0 10.00   5.00 219.12) =  93.158%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.52 +/- 0.17  37.948% *  8.8779% (0.07  10.0 10.00   5.88 242.39) =   6.831%  kept
          QG1   VAL   70 - QD1   LEU  104   6.25 +/- 1.58   2.787% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   71 - QD1   LEU   73   4.26 +/- 1.26   6.853% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   63 - QD1   LEU  104  10.45 +/- 1.87   0.022% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   7.11 +/- 1.73   0.298% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.08 +/- 1.30   0.317% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.22 +/- 0.91   0.228% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.81 +/- 1.06   0.029% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.36 +/- 0.50   0.156% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.25 +/- 3.33   0.023% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.40 +/- 1.44   0.010% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.62 +/- 0.94   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.52 +/- 0.50   0.025% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.48 +/- 1.31   0.018% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.28 +/- 1.23   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.83 +/- 1.53   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.75 +/- 2.14   0.001% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 219.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  97.644% * 98.9901% (0.97  10.0 10.00   5.27 219.12) = 100.000%  kept
          HD2   LYS+ 121 - QD1   LEU  104   8.66 +/- 3.56   0.553% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU  104   8.11 +/- 3.44   0.147% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.70 +/- 0.61   1.177% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.98 +/- 1.65   0.008% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.64 +/- 0.85   0.151% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   8.15 +/- 1.43   0.049% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.41 +/- 0.70   0.067% *  0.0125% (0.12   1.0  1.00   0.02   6.19) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.53 +/- 1.41   0.040% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  12.09 +/- 1.35   0.003% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.91 +/- 2.11   0.030% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.47 +/- 2.28   0.005% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.00 +/- 0.49   0.018% *  0.0176% (0.17   1.0  1.00   0.02  40.97) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.16 +/- 1.38   0.055% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.01 +/- 0.61   0.039% *  0.0045% (0.04   1.0  1.00   0.02   1.21) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.86 +/- 2.44   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.33 +/- 1.28   0.001% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.49 +/- 1.37   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.53 +/- 1.91   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.75 +/- 1.32   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.05 +/- 1.90   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.58 +/- 0.56   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  12.56 +/- 1.07   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.97 +/- 1.27   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.40 +/- 1.79   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  16.09 +/- 1.61   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.15 +/- 1.95   0.001% *  0.0056% (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 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 = 5.53, residual support = 219.1:
    * O T QD2   LEU  104 - QD1   LEU  104   2.07 +/- 0.05  79.303% * 98.3006% (0.97  10.0 10.00   5.53 219.12) =  99.995%  kept
          QD1   LEU   98 - QD1   LEU  104   5.30 +/- 1.20   3.697% *  0.0303% (0.30   1.0  1.00   0.02   6.17) =   0.001%
          QG1   VAL   43 - QD1   LEU   73   3.63 +/- 1.04  12.978% *  0.0062% (0.06   1.0  1.00   0.02   7.84) =   0.001%
        T QG1   VAL   41 - QD1   LEU   73   4.76 +/- 1.10   1.802% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   18 - QD1   LEU   63   6.15 +/- 1.02   0.423% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.84 +/- 0.82   0.089% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 1.42   0.514% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   4.50 +/- 0.49   0.932% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.50 +/- 0.73   0.046% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63  10.04 +/- 1.39   0.009% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.40 +/- 1.36   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.85 +/- 1.05   0.005% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   7.80 +/- 1.71   0.064% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.94 +/- 1.39   0.042% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.67 +/- 1.17   0.044% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.32 +/- 1.25   0.007% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.56 +/- 1.74   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.81 +/- 0.89   0.016% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.51 +/- 1.50   0.008% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.60 +/- 1.92   0.015% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.08 +/- 1.39   0.001% *  0.0675% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 6.01, residual support = 219.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.27 +/- 0.53  99.775% * 99.4871% (1.00 10.00   6.01 219.12) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41  10.00 +/- 1.48   0.107% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.65 +/- 1.17   0.084% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  18.10 +/- 4.53   0.011% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.57 +/- 0.90   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  20.01 +/- 4.34   0.004% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.08 +/- 2.31   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.50 +/- 1.53   0.004% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.12 +/- 1.63   0.005% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.16 +/- 2.80   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.90 +/- 2.51   0.003% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  16.90 +/- 3.91   0.002% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  20.24 +/- 2.24   0.000% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  16.49 +/- 4.03   0.002% *  0.0024% (0.02  1.00   0.02   0.11) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.49 +/- 2.81   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.27, residual support = 219.1:
    * O T HB2   LEU  104 - QD2   LEU  104   3.05 +/- 0.29  97.385% * 99.4846% (0.87  10.0 10.00   6.27 219.12) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.80 +/- 1.50   0.380% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104   9.96 +/- 0.91   0.123% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.55 +/- 1.18   1.369% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.68 +/- 1.32   0.370% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.03 +/- 1.77   0.173% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.25 +/- 1.94   0.043% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.45 +/- 1.21   0.010% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.80 +/- 1.94   0.036% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.87 +/- 1.04   0.043% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.64 +/- 1.33   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.72 +/- 2.37   0.014% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.84 +/- 2.42   0.032% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  13.35 +/- 1.25   0.019% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  21.06 +/- 1.61   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.523, support = 4.9, residual support = 164.4:
    * O T HB3   LEU  104 - QD2   LEU  104   2.63 +/- 0.30  21.382% * 83.3286% (0.76  10.0 10.00   5.46 219.12) =  61.459%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.08 +/- 0.04  74.354% * 15.0261% (0.14  10.0 10.00   4.00  77.21) =  38.539%  kept
          QD1   LEU   71 - QG1   VAL   41   4.22 +/- 1.08   3.709% *  0.0058% (0.05   1.0  1.00   0.02   4.37) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.92 +/- 1.67   0.158% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   6.34 +/- 0.84   0.176% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.91 +/- 1.39   0.068% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.47 +/- 3.16   0.009% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.05 +/- 1.34   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.85 +/- 1.02   0.008% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.71 +/- 1.12   0.053% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.81 +/- 1.60   0.019% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.09 +/- 1.03   0.007% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   7.37 +/- 0.60   0.042% *  0.0057% (0.05   1.0  1.00   0.02   2.70) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.14 +/- 1.88   0.004% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.17 +/- 1.83   0.005% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.52 +/- 1.28   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.29 +/- 2.94   0.001% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.74 +/- 1.15   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 = 5.99, residual support = 219.1:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  92.562% * 99.1828% (1.00  10.0 10.00   5.99 219.12) =  99.997%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.24 +/- 1.67   5.607% *  0.0449% (0.04   1.0  1.00   0.24   0.16) =   0.003%
          HD3   LYS+  74 - QG2   VAL   18   5.26 +/- 1.24   1.066% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   9.57 +/- 3.39   0.384% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   9.01 +/- 3.32   0.067% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   8.13 +/- 1.54   0.050% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.96 +/- 1.44   0.186% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.06 +/- 1.00   0.019% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.14 +/- 2.44   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.34 +/- 1.42   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.14 +/- 2.38   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   9.04 +/- 0.50   0.016% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.45 +/- 1.20   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  15.43 +/- 1.48   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.82 +/- 1.03   0.025% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.56 +/- 1.05   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.50 +/- 1.06   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.98 +/- 0.83   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.35 +/- 1.97   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.88 +/- 1.64   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  14.40 +/- 2.52   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.75 +/- 0.91   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.36 +/- 1.84   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.91 +/- 0.73   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.78 +/- 2.54   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.04 +/- 0.97   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.38 +/- 2.19   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 219.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.07 +/- 0.05  96.734% * 98.4528% (0.97  10.0 10.00   5.53 219.12) =  99.999%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.76 +/- 1.10   2.545% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   18   6.15 +/- 1.02   0.482% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.84 +/- 0.82   0.106% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.04 +/- 1.39   0.011% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.50 +/- 0.73   0.055% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.85 +/- 1.05   0.006% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.40 +/- 1.36   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.32 +/- 1.25   0.009% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.42 +/- 1.45   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.60 +/- 1.25   0.013% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  15.63 +/- 3.27   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.58 +/- 1.76   0.008% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.64 +/- 1.85   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.20 +/- 2.47   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.29 +/- 3.04   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.82 +/- 2.24   0.007% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  13.12 +/- 2.03   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.51 +/- 1.86   0.003% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.39 +/- 1.76   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  13.60 +/- 1.67   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 = 3.18, residual support = 42.7:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.71 +/- 0.22  99.848% * 99.5527% (0.95  10.0 10.00   3.18  42.74) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.59 +/- 0.80   0.111% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.98 +/- 2.28   0.023% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.08 +/- 0.92   0.004% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  12.88 +/- 1.48   0.012% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.61 +/- 1.09   0.002% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  23.09 +/- 1.41   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.08 +/- 1.01   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  24.01 +/- 1.29   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.7:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.71 +/- 0.22  99.999% * 99.7814% (0.95  10.0 10.00   3.18  42.74) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  24.51 +/- 2.39   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.39 +/- 1.52   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  23.29 +/- 1.57   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.66 +/- 1.53   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.17 +/- 0.09  99.095% * 99.1664% (1.00  10.0 10.00   6.31 135.76) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.92 +/- 0.36   0.863% *  0.0860% (0.87   1.0  1.00   0.02  21.79) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.77 +/- 1.06   0.032% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.39 +/- 1.37   0.003% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.69 +/- 1.40   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.03 +/- 2.33   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.38 +/- 0.64   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  18.77 +/- 1.34   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.76 +/- 0.90   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  18.87 +/- 1.46   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.94 +/- 0.86   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  20.71 +/- 1.63   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.74 +/- 1.40   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 = 135.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.85 +/- 0.39  99.478% * 98.2431% (1.00  10.0 10.00   5.04 135.76) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106  10.93 +/- 2.59   0.466% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  19.99 +/- 1.59   0.007% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.27 +/- 1.19   0.006% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.52 +/- 1.00   0.044% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.82 +/- 0.42  98.474% * 98.5750% (1.00 10.00   4.80 135.76) =  99.998%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.46 +/- 0.99   0.159% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.90 +/- 1.43   0.497% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  12.05 +/- 1.29   0.142% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.08 +/- 1.01   0.199% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.18 +/- 1.35   0.076% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  13.28 +/- 1.79   0.096% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.20 +/- 1.08   0.129% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  12.08 +/- 1.38   0.173% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.66 +/- 2.53   0.053% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 5.09, residual support = 120.4:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.31 +/- 0.70  51.211% * 86.9804% (1.00 10.00   5.23 135.76) =  87.700%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.43 +/- 0.98  48.553% * 12.8658% (0.73  1.00   4.07  10.82) =  12.299%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.41 +/- 1.53   0.208% *  0.0823% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  16.18 +/- 1.50   0.023% *  0.0597% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  20.05 +/- 1.37   0.005% *  0.0118% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.17 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.76) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 135.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.28 +/- 0.12  99.966% * 98.2431% (1.00  10.0 10.00   5.33 135.76) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  17.33 +/- 1.66   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106  10.08 +/- 2.38   0.030% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.45 +/- 1.42   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.57 +/- 1.02   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 = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.26 +/- 0.14  99.889% * 97.1433% (1.00  10.0 10.00   5.08 135.76) = 100.000%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.89 +/- 1.13   0.012% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106   9.67 +/- 1.25   0.023% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.04 +/- 1.54   0.006% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.25 +/- 1.13   0.016% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.87 +/- 1.95   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.09 +/- 1.66   0.007% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.46 +/- 1.17   0.016% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.47 +/- 1.43   0.018% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.02 +/- 0.78   0.010% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.97, support = 5.15, residual support = 122.0:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.23 +/- 0.56  85.310% * 57.8731% (1.00 10.00   5.52 135.76) =  88.958%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.90 +/- 1.23  14.583% * 42.0245% (0.73 10.00   2.22  10.82) =  11.042%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.34 +/- 1.26   0.086% *  0.0547% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.34 +/- 1.59   0.017% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.85 +/- 1.45   0.004% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 135.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.85 +/- 0.39  99.988% * 99.1803% (1.00  10.0 10.00   5.04 135.76) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.27 +/- 1.19   0.006% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  19.99 +/- 1.59   0.007% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 134.7:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  26.974% * 54.3218% (1.00  10.0 10.00   5.33 135.76) =  51.079%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  27.982% * 31.1646% (0.57  10.0 10.00   5.67 149.82) =  30.399%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  44.551% * 11.9258% (0.22  10.0 10.00   5.15 107.05) =  18.521%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.68 +/- 1.69   0.239% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.48 +/- 0.63   0.071% *  0.0471% (0.87   1.0  1.00   0.02  21.79) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.68 +/- 0.76   0.164% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.62 +/- 1.61   0.009% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.09 +/- 1.31   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.41 +/- 1.25   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  15.91 +/- 3.06   0.004% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.45 +/- 1.42   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  21.17 +/- 2.07   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.33 +/- 1.66   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.41 +/- 1.89   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.28 +/- 1.22   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.67 +/- 1.56   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.04 +/- 1.32   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.54 +/- 3.38   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.04 +/- 1.57   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.33 +/- 2.46   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.67 +/- 1.85   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.03 +/- 1.61   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.92 +/- 1.57   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.42 +/- 1.40   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.42 +/- 1.61   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.76 +/- 1.76   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.47 +/- 2.29   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.34 +/- 1.27   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.10 +/- 1.23   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.90 +/- 1.28   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.83 +/- 2.45   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.64 +/- 2.08   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.25 +/- 1.67   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.54 +/- 2.21   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.37 +/- 1.86   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.73 +/- 1.82   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.80 +/- 0.94   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.99 +/- 1.20   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.77 +/- 1.18   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 135.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.26 +/- 0.10  99.895% * 96.6493% (1.00  10.0 10.00   4.12 135.76) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.58 +/- 1.63   0.012% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  14.37 +/- 1.64   0.002% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.55 +/- 1.76   0.031% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.39 +/- 0.81   0.012% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.10 +/- 1.61   0.018% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.34 +/- 1.39   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.78 +/- 2.08   0.002% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.61 +/- 1.33   0.004% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.79 +/- 2.19   0.002% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  20.09 +/- 1.95   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  18.95 +/- 1.91   0.000% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.42 +/- 0.91   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.81 +/- 2.03   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.98 +/- 2.07   0.005% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  14.25 +/- 0.79   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  15.07 +/- 1.67   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.32 +/- 2.41   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.30 +/- 2.04   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  24.17 +/- 1.03   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.48 +/- 1.62   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.68 +/- 1.21   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.88 +/- 3.35   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.09 +/- 1.51   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.09 +/- 3.95   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.86 +/- 2.01   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.49 +/- 2.51   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  23.57 +/- 2.45   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  25.03 +/- 1.14   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  29.43 +/- 1.86   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 = 4.53, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.90 +/- 0.31  92.008% * 98.7341% (1.00  10.0 10.00   4.53 135.76) =  99.994%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.70 +/- 1.36   7.612% *  0.0717% (0.73   1.0  1.00   0.02  10.82) =   0.006%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.71   0.285% *  0.0081% (0.08   1.0  1.00   0.02   1.51) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.77 +/- 0.54   0.041% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.62 +/- 1.41   0.008% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.92 +/- 1.67   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  11.66 +/- 1.47   0.032% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  19.70 +/- 2.41   0.001% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.16 +/- 2.08   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.72 +/- 1.31   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.71 +/- 1.21   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.70 +/- 1.16   0.003% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.76 +/- 1.67   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.72 +/- 1.42   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.48 +/- 2.11   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.82 +/- 0.42  99.838% * 99.1942% (0.99 10.00   4.80 135.76) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.46 +/- 0.99   0.162% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.26 +/- 0.14  98.966% * 96.5416% (0.99  10.0 10.00   5.08 135.76) =  99.999%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.22 +/- 0.71   0.388% *  0.0837% (0.86   1.0  1.00   0.02  21.79) =   0.000%
          HB    ILE  103 - QD    LYS+ 106   6.90 +/- 1.74   0.353% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.89 +/- 1.13   0.012% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   7.28 +/- 1.33   0.195% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.88 +/- 1.18   0.038% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.20 +/- 1.30   0.003% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.49 +/- 0.70   0.021% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.71 +/- 1.08   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  13.20 +/- 1.45   0.004% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.88 +/- 1.59   0.007% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.49 +/- 1.28   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  16.94 +/- 1.69   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.44 +/- 1.34   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.96 +/- 3.05   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.16 +/- 1.31   0.000% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.95 +/- 1.81   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  19.36 +/- 1.98   0.000% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.18 +/- 1.52   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.83 +/- 1.53   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.76 +/- 1.35   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  24.65 +/- 1.43   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.13 +/- 1.51   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  26.40 +/- 1.23   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.02 +/- 1.01   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.63 +/- 1.64   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 = 4.12, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.26 +/- 0.10  99.951% * 96.1045% (0.99  10.0 10.00   4.12 135.76) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.58 +/- 1.63   0.012% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  14.37 +/- 1.64   0.002% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.43 +/- 2.76   0.032% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  18.95 +/- 1.91   0.000% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  20.09 +/- 1.95   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  24.17 +/- 1.03   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.71 +/- 1.36   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.29 +/- 1.08   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  20.06 +/- 2.57   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 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.662% * 98.7514% (0.99  10.0 10.00   3.38 135.76) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.21 +/- 0.90   0.276% *  0.0717% (0.72   1.0  1.00   0.02  10.82) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.51 +/- 1.32   0.010% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.73 +/- 0.59   0.044% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.24 +/- 1.54   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.33 +/- 2.07   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.20 +/- 1.36   0.004% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.20 +/- 1.76   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.20 +/- 1.33   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.94 +/- 1.60   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 = 5.23, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.31 +/- 0.70 100.000% *100.0000% (1.00 10.00   5.23 135.76) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.985, support = 5.32, residual support = 123.2:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.23 +/- 0.56  80.143% * 53.3343% (1.00 10.00   5.52 135.76) =  88.954%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.51 +/- 1.27  11.465% * 46.2637% (0.87 10.00   3.75  21.79) =  11.039%  kept
          HB    ILE  103 - QE    LYS+ 106   6.15 +/- 1.78   8.315% *  0.0427% (0.80  1.00   0.02   0.02) =   0.007%
          HB    ILE   56 - QE    LYS+ 106  14.16 +/- 1.65   0.017% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.98 +/- 1.70   0.028% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.67 +/- 2.88   0.007% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  17.98 +/- 2.18   0.004% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.97 +/- 1.21   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.44 +/- 1.47   0.005% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.99 +/- 1.66   0.005% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  20.09 +/- 2.61   0.002% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.83 +/- 1.76   0.002% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.38 +/- 1.75   0.003% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.90 +/- 0.31  99.800% * 98.2431% (1.00  10.0 10.00   4.53 135.76) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  11.23 +/- 2.88   0.193% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  19.70 +/- 2.41   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.92 +/- 1.67   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.41 +/- 1.36   0.005% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.924% * 98.5861% (0.99  10.0 10.00   3.38 135.76) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.51 +/- 1.32   0.010% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.30 +/- 1.93   0.039% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.28 +/- 1.20   0.010% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  12.86 +/- 2.37   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.71 +/- 1.42   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.64 +/- 1.56   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.51 +/- 1.99   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.59 +/- 1.53   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.01 +/- 2.83   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.0:
    * O T HB    VAL  107 - HA    VAL  107   2.80 +/- 0.26  99.836% * 99.6302% (0.73  10.0 10.00   3.31  60.04) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.26 +/- 1.24   0.076% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.88 +/- 0.81   0.067% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  12.00 +/- 1.30   0.020% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  21.07 +/- 1.61   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.21 +/- 1.05   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.39 +/- 0.82   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.0:
    * O T HA    VAL  107 - HB    VAL  107   2.80 +/- 0.26  99.462% * 99.7511% (0.73  10.0 10.00   3.31  60.04) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   8.21 +/- 1.88   0.492% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.20 +/- 2.00   0.036% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  14.83 +/- 1.45   0.006% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.33 +/- 1.01   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.69 +/- 1.30   0.002% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 64.7:
    * O T HB    VAL  108 - HA    VAL  108   2.68 +/- 0.35  98.867% * 99.4465% (1.00  10.0 10.00   3.55  64.74) =  99.999%  kept
          HB2   PRO   93 - HA    VAL  108   7.37 +/- 1.46   1.089% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  11.48 +/- 1.32   0.032% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.28 +/- 1.96   0.010% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.01 +/- 1.44   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.66 +/- 1.70   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.64 +/- 0.92   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.72 +/- 2.78   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  34.98 +/- 2.63   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.7:
    * O T QG1   VAL  108 - HA    VAL  108   2.55 +/- 0.11  99.548% * 99.8607% (1.00  10.0 10.00   3.97  64.74) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.07 +/- 2.57   0.428% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.14 +/- 1.32   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.54 +/- 1.84   0.009% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  14.37 +/- 1.68   0.006% *  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 = 64.7:
    * O T QG2   VAL  108 - HA    VAL  108   2.64 +/- 0.48  99.836% * 99.7938% (1.00  10.0 10.00   3.30  64.74) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.72 +/- 1.15   0.080% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.73 +/- 1.41   0.074% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.41 +/- 0.49   0.010% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 64.7:
    * O T HA    VAL  108 - HB    VAL  108   2.68 +/- 0.35  97.833% * 99.8175% (1.00  10.0 10.00   3.55  64.74) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.51 +/- 0.34   2.033% *  0.0308% (0.31   1.0  1.00   0.02   7.48) =   0.001%
          HA    CYS   50 - HB    VAL  108  14.45 +/- 3.05   0.063% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.01 +/- 3.41   0.062% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HB    VAL  108  14.12 +/- 2.04   0.009% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 64.7:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.972% * 99.8607% (1.00  10.0 10.00   3.71  64.74) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  13.21 +/- 2.66   0.018% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  12.92 +/- 1.70   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.50 +/- 2.17   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  14.86 +/- 1.67   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 64.7:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.988% * 99.1471% (1.00  10.0 10.00   3.26  64.74) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.16 +/- 1.20   0.007% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.51 +/- 0.49   0.003% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.99 +/- 1.28   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 3.96, residual support = 64.2:
    * O T HA    VAL  108 - QG1   VAL  108   2.55 +/- 0.11  82.902% * 95.2090% (1.00  10.0 10.00   3.97  64.74) =  99.061%  kept
          HA1   GLY  109 - QG1   VAL  108   3.43 +/- 0.28  16.105% *  4.6463% (0.31   1.0  1.00   3.16   7.48) =   0.939%  kept
          HA    TRP   49 - QG1   VAL  108  14.07 +/- 3.12   0.700% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  11.17 +/- 2.73   0.269% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - QG1   VAL  108  11.21 +/- 1.93   0.023% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 64.7:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.864% * 99.4465% (1.00  10.0 10.00   3.71  64.74) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   7.52 +/- 1.33   0.123% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  11.78 +/- 1.47   0.007% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.13 +/- 2.16   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.58 +/- 2.12   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.02 +/- 2.27   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.48 +/- 1.03   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.06 +/- 3.18   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.67 +/- 2.82   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 = 64.7:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.04  99.975% * 99.7938% (1.00  10.0 10.00   3.44  64.74) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.04 +/- 1.28   0.013% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.65 +/- 1.27   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.28 +/- 0.42   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 64.7:
    * O T HA    VAL  108 - QG2   VAL  108   2.64 +/- 0.48  95.402% * 99.8175% (1.00  10.0 10.00   3.30  64.74) =  99.998%  kept
          HA1   GLY  109 - QG2   VAL  108   5.15 +/- 0.46   4.276% *  0.0308% (0.31   1.0  1.00   0.02   7.48) =   0.001%
          HA    CYS   50 - QG2   VAL  108  12.22 +/- 2.66   0.234% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - QG2   VAL  108  11.83 +/- 2.05   0.034% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.20 +/- 2.91   0.054% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 64.7:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.01  99.878% * 98.6316% (1.00  10.0 10.00   3.26  64.74) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.69 +/- 1.41   0.110% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  10.81 +/- 1.30   0.008% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.01 +/- 1.72   0.002% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.34 +/- 1.71   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.47 +/- 0.89   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.85 +/- 1.73   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.54 +/- 2.74   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.46 +/- 2.62   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 64.7:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.04  99.298% * 99.8607% (1.00  10.0 10.00   3.44  64.74) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  10.95 +/- 2.40   0.664% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  10.57 +/- 1.44   0.023% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  12.35 +/- 1.73   0.008% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.09 +/- 1.77   0.007% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.33:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.984% * 98.9563% (1.00  10.0 10.00   2.00   9.33) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  15.71 +/- 2.96   0.003% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.89 +/- 2.00   0.011% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.02 +/- 1.88   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.87 +/- 2.27   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.33:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.612% * 97.8789% (1.00  10.0 10.00   2.00   9.33) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.43 +/- 0.06   0.383% *  0.0302% (0.31   1.0  1.00   0.02   7.48) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.16 +/- 2.85   0.003% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.94 +/- 3.24   0.002% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  13.70 +/- 2.20   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.62 +/- 2.45   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.42 +/- 1.28   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.12 +/- 0.01  99.984% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  12.82 +/- 3.69   0.011% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.38 +/- 2.96   0.002% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.10 +/- 2.47   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.90 +/- 4.10   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  18.89 +/- 3.22   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.28 +/- 3.36   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.46 +/- 3.29   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  22.73 +/- 3.77   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.58 +/- 2.98   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.76 +/- 1.36   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.82 +/- 1.88   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.12 +/- 0.01  98.588% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    VAL  107 - QB    ALA  110   6.71 +/- 1.68   1.038% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA  110   7.84 +/- 3.25   0.318% *  0.0857% (0.87   1.0  1.00   0.02   0.13) =   0.000%
        T HA    ALA  110 - QB    ALA   61  12.82 +/- 3.69   0.011% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.97 +/- 1.40   0.014% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  12.93 +/- 2.32   0.004% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110  10.37 +/- 2.24   0.018% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.94 +/- 0.87   0.004% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.03 +/- 1.67   0.002% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.14 +/- 0.95   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.78 +/- 1.26   0.000% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.19 +/- 1.85   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.2:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.62 +/- 0.24  95.708% * 98.9314% (1.00  10.0 10.00   7.98 315.22) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.49 +/- 0.29   4.268% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  10.93 +/- 1.05   0.024% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.28 +/- 2.11   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  23.84 +/- 2.28   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.24 +/- 2.16   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  24.87 +/- 1.76   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.07 +/- 2.00   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.01 +/- 2.54   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.21 +/- 2.82   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.80 +/- 1.63   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.21 +/- 1.33   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 = 315.2:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.60 +/- 0.21  96.371% * 99.2615% (1.00  10.0 10.00   7.31 315.22) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.78 +/- 3.21   3.395% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  13.98 +/- 2.03   0.069% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.05 +/- 2.24   0.073% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.90 +/- 2.34   0.057% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  17.39 +/- 2.45   0.012% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.41 +/- 2.43   0.012% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.14 +/- 0.86   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.23 +/- 2.86   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.23 +/- 1.58   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.82 +/- 1.25   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.31 +/- 1.52   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.26 +/- 1.60   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 0.13 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.62 +/- 0.54  99.380% * 99.3524% (1.00  10.0 10.00   7.31 315.22) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.98 +/- 0.51   0.610% *  0.0373% (0.38   1.0  1.00   0.02  27.53) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  17.79 +/- 2.97   0.005% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  18.40 +/- 3.28   0.003% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.69 +/- 1.68   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.49 +/- 1.72   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.73 +/- 1.44   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.66 +/- 2.21   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   2.98 +/- 0.52  95.511% * 98.3525% (1.00 10.00   6.21 315.22) =  99.996%  kept
          HB3   MET   92 - HA    LYS+ 111   9.73 +/- 2.60   2.201% *  0.0964% (0.98  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 111   9.26 +/- 3.51   2.239% *  0.0853% (0.87  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 111  11.78 +/- 1.33   0.037% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.16 +/- 2.18   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.70 +/- 2.56   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.47 +/- 0.87   0.003% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  20.68 +/- 1.87   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.64 +/- 1.46   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.31 +/- 1.25   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.67 +/- 2.63   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.96 +/- 0.59  99.248% * 98.5544% (1.00 10.00   6.21 315.22) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.76 +/- 2.00   0.603% *  0.0983% (1.00  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 111  18.70 +/- 2.56   0.022% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  17.16 +/- 2.86   0.042% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.20 +/- 1.01   0.065% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.02 +/- 1.18   0.015% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.61 +/- 1.82   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.67 +/- 2.63   0.005% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.96 +/- 0.54  99.973% * 99.8490% (1.00 10.00   5.62 315.22) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.78 +/- 1.97   0.026% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  23.84 +/- 2.39   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.2:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.62 +/- 0.24  99.955% * 99.7221% (1.00  10.0 10.00   7.98 315.22) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  10.58 +/- 1.88   0.045% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.28 +/- 2.11   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.29 +/- 1.09   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.17  98.506% * 98.9173% (1.00  10.0 10.00   7.31 315.22) = 100.000%  kept
          HB3   PRO   93 - HB2   LYS+ 111  10.76 +/- 3.09   1.144% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   GLN   30   7.40 +/- 0.20   0.260% *  0.0197% (0.20   1.0  1.00   0.02  51.05) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.66 +/- 2.44   0.015% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.33 +/- 2.17   0.009% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  13.93 +/- 3.13   0.009% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.74 +/- 2.40   0.010% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.75 +/- 1.39   0.010% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.78 +/- 2.36   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.12 +/- 2.56   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.48 +/- 0.84   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.58 +/- 1.28   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.74 +/- 1.29   0.007% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.35 +/- 1.45   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.74 +/- 2.30   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.98 +/- 2.99   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.81 +/- 1.08   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.04 +/- 2.35   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  15.85 +/- 2.02   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.84 +/- 0.95   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.17 +/- 2.55   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.32 +/- 2.09   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  22.55 +/- 3.97   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  20.25 +/- 2.39   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.42 +/- 1.69   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.72 +/- 2.60   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.2:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.91 +/- 0.19  97.861% * 98.4912% (1.00  10.0 10.00   7.29 315.22) = 100.000%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   8.24 +/- 0.70   0.241% *  0.0370% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          HG    LEU   71 - HG3   GLN   30   7.20 +/- 1.43   0.906% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.36 +/- 1.32   0.352% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.12 +/- 0.66   0.600% *  0.0039% (0.04   1.0  1.00   0.02  14.99) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  12.05 +/- 1.01   0.027% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.72 +/- 2.97   0.004% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  18.98 +/- 3.30   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.52 +/- 2.32   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.16 +/- 2.20   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.08 +/- 2.26   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  20.11 +/- 3.00   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  17.10 +/- 1.59   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.66 +/- 2.33   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.88 +/- 2.59   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.61 +/- 2.48   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.2:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.54 +/- 0.58  97.957% * 97.6852% (1.00  10.0 10.00   6.62 315.22) =  99.998%  kept
          HG3   PRO   93 - HB2   LYS+ 111  10.52 +/- 3.44   1.206% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB2   LYS+ 111  10.75 +/- 2.50   0.308% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   GLN   30   6.94 +/- 1.05   0.472% *  0.0176% (0.18   1.0  1.00   0.02   4.89) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  11.05 +/- 2.20   0.024% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.68 +/- 0.96   0.007% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.26 +/- 2.92   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.59 +/- 1.58   0.002% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.29 +/- 2.24   0.002% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.80 +/- 1.16   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  21.40 +/- 1.86   0.001% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.33 +/- 1.58   0.003% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.12 +/- 2.15   0.001% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  16.03 +/- 1.27   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.52 +/- 2.22   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.04 +/- 2.32   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  19.03 +/- 1.71   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.63 +/- 3.15   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.10 +/- 2.45   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.31 +/- 2.86   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.73 +/- 1.24   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.82 +/- 3.46   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.989, support = 6.54, residual support = 311.2:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.27 +/- 0.37  83.736% * 92.1301% (1.00  10.0 10.00   6.62 315.22) =  98.716%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.16 +/- 1.08  16.115% *  6.2279% (0.18   1.0 10.00   0.75   0.17) =   1.284%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.01 +/- 1.57   0.051% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.29 +/- 2.24   0.003% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  13.19 +/- 1.72   0.023% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.44 +/- 1.18   0.034% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.13 +/- 2.87   0.006% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.38 +/- 1.62   0.004% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.33 +/- 1.58   0.006% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.73 +/- 2.19   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.90 +/- 1.42   0.003% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.63 +/- 3.15   0.016% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.40 +/- 2.46   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.31 +/- 2.86   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.19 +/- 3.82   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  23.15 +/- 1.78   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.2:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.26 +/- 0.79  92.237% * 99.6189% (1.00 10.00   6.06 315.22) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   5.89 +/- 0.92   7.685% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  14.48 +/- 2.14   0.065% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.12 +/- 0.99   0.012% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.48 +/- 1.98   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.47 +/- 2.52   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.60 +/- 0.21  99.666% * 99.9354% (1.00  10.0 10.00   7.31 315.22) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  10.64 +/- 2.12   0.334% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.71 +/- 0.17  83.861% * 98.9314% (1.00  10.0 10.00   7.31 315.22) =  99.989%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.24 +/- 1.40  16.128% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HB    ILE  119 - HG2   LYS+ 111  12.33 +/- 1.33   0.010% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.17 +/- 2.55   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.68 +/- 2.25   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.68 +/- 2.56   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.16 +/- 2.03   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.38 +/- 2.23   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.37 +/- 2.89   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.94 +/- 2.83   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.90 +/- 3.16   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.54 +/- 2.31   0.000% *  0.0220% (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 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 = 315.2:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.994% * 98.1828% (1.00  10.0 10.00   6.98 315.22) = 100.000%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  18.31 +/- 3.31   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   LYS+ 111   9.69 +/- 1.04   0.005% *  0.0368% (0.38   1.0  1.00   0.02  27.53) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.29 +/- 2.83   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.55 +/- 3.16   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.52 +/- 2.67   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.37 +/- 2.59   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.07 +/- 2.27   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 = 315.2:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.93 +/- 0.12  97.088% * 97.1375% (1.00  10.0 10.00   6.21 315.22) =  99.996%  kept
          HG3   PRO   93 - HG2   LYS+ 111  10.58 +/- 3.18   2.607% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+ 111  10.91 +/- 2.90   0.180% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 111  10.14 +/- 2.23   0.118% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.40 +/- 3.53   0.002% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  21.18 +/- 2.75   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.59 +/- 2.23   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.43 +/- 1.34   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.63 +/- 2.37   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.64 +/- 2.81   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.99 +/- 3.00   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 0.08 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.34 +/- 0.10  99.991% * 97.8296% (1.00  10.0 10.00   6.21 315.22) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  18.72 +/- 2.80   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 111  12.78 +/- 1.70   0.005% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.59 +/- 2.23   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.51 +/- 1.80   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.02 +/- 1.44   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  28.29 +/- 2.46   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.99 +/- 3.00   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.97 +/- 0.32  99.982% * 99.8490% (1.00  10.0 10.00   5.62 315.22) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.38 +/- 2.10   0.017% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  24.85 +/- 2.61   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.62 +/- 0.54  99.850% * 99.8218% (1.00  10.0 10.00   7.31 315.22) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111   9.70 +/- 2.21   0.137% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.79 +/- 2.97   0.005% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  15.02 +/- 1.16   0.007% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.2:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.91 +/- 0.19  85.991% * 98.2440% (1.00  10.0 10.00   7.29 315.22) =  99.991%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.61 +/- 1.19  13.660% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.009%
        T HB    ILE   19 - HG2   LYS+  74   8.28 +/- 0.89   0.214% *  0.0511% (0.05   1.0 10.00   0.02   8.28) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  12.05 +/- 1.01   0.023% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.24 +/- 1.50   0.020% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.91 +/- 1.20   0.039% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.72 +/- 2.97   0.003% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.18 +/- 2.12   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.08 +/- 2.26   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.62 +/- 1.15   0.006% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.67 +/- 1.22   0.007% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.66 +/- 0.61   0.023% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.06 +/- 1.91   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.32 +/- 2.36   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.25 +/- 1.82   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.61 +/- 2.50   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.07 +/- 2.05   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  25.35 +/- 2.83   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.77 +/- 2.11   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.16 +/- 1.91   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.74 +/- 2.65   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.51 +/- 1.94   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.41 +/- 2.46   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.92 +/- 1.49   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.2:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.278% * 98.9181% (1.00  10.0 10.00   6.98 315.22) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 111  10.53 +/- 3.03   0.386% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   5.51 +/- 1.03   0.277% *  0.0077% (0.08   1.0  1.00   0.02   3.74) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.02 +/- 1.20   0.043% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.27 +/- 1.51   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.99 +/- 2.29   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.41 +/- 2.28   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.10 +/- 1.63   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.41 +/- 1.04   0.006% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.21 +/- 2.27   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.29 +/- 2.83   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.76 +/- 2.33   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.05 +/- 1.27   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.35 +/- 2.42   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.38 +/- 1.17   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.01 +/- 1.30   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.46 +/- 2.80   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.48 +/- 0.66   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.44 +/- 2.47   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.68 +/- 1.31   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.09 +/- 1.60   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.17 +/- 2.41   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.96 +/- 1.38   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.67 +/- 1.92   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.64 +/- 2.42   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.72 +/- 2.42   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.71 +/- 0.21  98.681% * 96.7411% (1.00  10.0 10.00   5.40 315.22) =  99.999%  kept
          HG3   PRO   93 - HG3   LYS+ 111  10.06 +/- 3.23   0.506% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.43 +/- 2.34   0.049% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   9.79 +/- 2.21   0.118% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.72 +/- 0.56   0.527% *  0.0093% (0.10   1.0  1.00   0.02  40.97) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.97 +/- 2.89   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  11.89 +/- 2.00   0.030% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.95 +/- 1.66   0.050% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.62 +/- 2.29   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.47 +/- 1.64   0.004% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.00 +/- 3.18   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.23 +/- 2.51   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.56 +/- 1.50   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.37 +/- 0.92   0.009% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.65 +/- 1.31   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.47 +/- 2.15   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.03 +/- 1.46   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.05 +/- 1.65   0.019% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.00 +/- 2.26   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.25 +/- 1.12   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.76 +/- 2.82   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.43 +/- 2.65   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.912, support = 5.41, residual support = 302.9:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.83 +/- 0.20  45.256% * 89.7666% (1.00  10.0 10.00   5.40 315.22) =  90.290%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.74 +/- 0.22  54.518% *  8.0133% (0.09  10.0 10.00   5.54 187.88) =   9.710%  kept
          QB    ALA   57 - HG2   LYS+  74   8.66 +/- 1.63   0.182% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.13 +/- 1.89   0.010% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.28 +/- 2.78   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  11.89 +/- 2.00   0.015% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.20 +/- 1.21   0.002% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.23 +/- 2.51   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.47 +/- 3.04   0.001% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.87 +/- 1.58   0.002% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.12 +/- 1.57   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.31 +/- 2.21   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.05 +/- 1.65   0.010% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.76 +/- 2.82   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.85 +/- 2.84   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.85 +/- 1.72   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.2:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.42 +/- 0.57  99.500% * 99.7265% (1.00  10.0 10.00   5.44 315.22) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   8.36 +/- 0.90   0.270% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   7.73 +/- 0.91   0.214% *  0.0060% (0.06   1.0  1.00   0.02   9.76) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  14.18 +/- 1.84   0.013% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.19 +/- 2.67   0.003% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.62 +/- 2.44   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   2.98 +/- 0.52  99.806% * 99.4172% (1.00 10.00   6.21 315.22) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  10.72 +/- 2.15   0.185% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.70 +/- 2.56   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.16 +/- 2.18   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.99 +/- 0.89   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.64 +/- 1.46   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.08 +/- 2.58   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.39 +/- 1.71   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.2:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.54 +/- 0.58  76.473% * 97.9440% (1.00  10.0 10.00   6.62 315.22) =  99.995%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.57 +/- 1.25   5.219% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QD    LYS+  65   5.97 +/- 1.63   2.865% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   4.48 +/- 1.51  14.098% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   7.68 +/- 1.96   0.457% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.46 +/- 1.52   0.646% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.13 +/- 1.12   0.053% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.65 +/- 1.82   0.108% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.26 +/- 1.31   0.008% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  10.88 +/- 1.52   0.023% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.68 +/- 0.96   0.003% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.33 +/- 1.58   0.002% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.29 +/- 2.24   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.59 +/- 1.58   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.48 +/- 1.78   0.011% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.26 +/- 2.92   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.09 +/- 3.51   0.005% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.55 +/- 3.10   0.002% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.10 +/- 2.45   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.42 +/- 1.88   0.002% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.82 +/- 0.98   0.007% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.03 +/- 2.17   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.49 +/- 1.61   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.03 +/- 2.47   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.72 +/- 1.91   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  16.46 +/- 1.44   0.001% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.15 +/- 1.24   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.55 +/- 2.03   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.97 +/- 2.54   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.08 +/- 2.27   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.55 +/- 0.74   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.98 +/- 0.88   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  16.20 +/- 2.20   0.002% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.94 +/- 2.54   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.45 +/- 1.42   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.59 +/- 1.95   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.04 +/- 2.32   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  19.92 +/- 1.73   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.62 +/- 2.91   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.98 +/- 2.99   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.47 +/- 2.59   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.28 +/- 1.55   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.32 +/- 0.91   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.51 +/- 2.02   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.91 +/- 2.45   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.61 +/- 1.18   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.73 +/- 1.68   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.33 +/- 2.36   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.848, support = 6.13, residual support = 299.7:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.93 +/- 0.12  23.576% * 90.8110% (1.00  10.0 10.00   6.21 315.22) =  83.847%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.16  75.337% *  5.4729% (0.06  10.0 10.00   5.75 219.04) =  16.147%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  11.78 +/- 3.50   0.390% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  99 - QD    LYS+  38   6.12 +/- 1.22   0.414% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.48 +/- 1.12   0.056% *  0.2129% (0.23   1.0 10.00   0.02   1.93) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.18 +/- 1.88   0.008% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.06 +/- 1.18   0.109% *  0.0106% (0.12   1.0  1.00   0.02   2.65) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.15 +/- 0.69   0.057% *  0.0116% (0.13   1.0  1.00   0.02   1.21) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.09 +/- 2.62   0.002% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  14.02 +/- 2.56   0.004% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.98 +/- 2.19   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.40 +/- 3.53   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.14 +/- 0.83   0.005% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.61 +/- 2.31   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.38 +/- 2.69   0.003% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 1.58   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.94 +/- 1.82   0.005% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.97 +/- 2.75   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.33 +/- 1.64   0.011% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.59 +/- 2.23   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.03 +/- 0.75   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.58 +/- 2.83   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.78 +/- 1.87   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.30 +/- 3.77   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 1.39   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.81 +/- 4.84   0.003% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.31 +/- 2.45   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.61 +/- 1.15   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.57 +/- 1.45   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.24 +/- 2.20   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.86 +/- 3.29   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  18.69 +/- 3.60   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.37 +/- 1.66   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  21.97 +/- 3.35   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.34 +/- 2.85   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.70 +/- 1.48   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.43 +/- 1.52   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.64 +/- 2.81   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.69 +/- 1.95   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.55 +/- 0.95   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.62 +/- 1.91   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.38 +/- 2.03   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.21 +/- 1.41   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.13 +/- 1.03   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.42 +/- 0.92   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.45 +/- 1.11   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.16 +/- 1.34   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.68 +/- 2.93   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.69 +/- 2.83   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  22.36 +/- 2.00   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.32 +/- 0.75   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.00 +/- 1.10   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.71 +/- 0.21  98.135% * 98.1177% (1.00  10.0 10.00   5.40 315.22) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.53 +/- 1.41   1.221% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.11 +/- 1.45   0.254% *  0.0875% (0.09   1.0 10.00   0.02   1.93) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.75 +/- 1.30   0.206% *  0.0368% (0.38   1.0  1.00   0.02  27.53) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.89 +/- 2.00   0.029% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.00 +/- 3.18   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.97 +/- 2.89   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  19.53 +/- 3.69   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.41 +/- 1.48   0.044% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.59 +/- 1.19   0.039% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.23 +/- 2.51   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.05 +/- 1.12   0.030% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.46 +/- 2.55   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.11 +/- 1.12   0.009% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.74 +/- 1.44   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.27 +/- 1.30   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.03 +/- 1.46   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.54   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.53 +/- 1.29   0.003% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  20.65 +/- 4.10   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.71 +/- 2.61   0.004% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.25 +/- 1.12   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.32 +/- 2.26   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.00 +/- 2.26   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.19 +/- 2.22   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.64 +/- 2.08   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.47 +/- 1.39   0.003% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.48 +/- 1.64   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.70 +/- 2.37   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.93 +/- 1.83   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.60 +/- 3.00   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.81 +/- 2.02   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.23 +/- 0.08  99.994% * 99.2899% (1.00  10.0 10.00   4.97 315.22) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.48 +/- 2.28   0.003% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.54 +/- 2.47   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.00 +/- 2.34   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.94 +/- 1.93   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.73 +/- 1.40   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.00 +/- 0.95   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.76 +/- 2.77   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.76 +/- 1.68   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.10 +/- 1.69   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.42 +/- 0.98   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.72 +/- 0.96   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.96 +/- 0.59  99.240% * 98.7339% (1.00 10.00   6.21 315.22) =  99.999%  kept
          HA    PRO   52 - HD3   LYS+ 111  11.18 +/- 2.27   0.720% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.70 +/- 2.56   0.022% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.61 +/- 1.82   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.99 +/- 0.89   0.016% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.54 +/- 1.58   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 314.9:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.27 +/- 0.37  63.835% * 96.6565% (1.00  10.0 10.00   6.62 315.22) =  99.898%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.16 +/- 1.08  12.725% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.087%
          QB    GLU- 114 - HD3   LYS+ 111   4.92 +/- 1.38  11.587% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          HB2   GLN   17 - QD    LYS+  65   5.97 +/- 1.63   6.669% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QD    LYS+  33   6.05 +/- 1.08   3.081% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   9.14 +/- 1.71   0.327% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   7.68 +/- 1.96   0.845% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.77 +/- 1.34   0.230% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.13 +/- 1.12   0.167% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.65 +/- 1.82   0.345% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.15 +/- 1.48   0.027% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.39 +/- 1.69   0.017% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  10.88 +/- 1.52   0.059% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  15.14 +/- 1.59   0.009% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.29 +/- 2.24   0.002% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.33 +/- 1.58   0.004% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.63 +/- 1.69   0.016% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.16 +/- 1.13   0.015% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  16.05 +/- 1.54   0.007% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.73 +/- 2.19   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.82 +/- 0.98   0.019% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.49 +/- 1.61   0.005% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.40 +/- 2.46   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.03 +/- 1.43   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.76 +/- 2.30   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.45 +/- 1.42   0.004% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.71 +/- 2.47   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.14 +/- 1.89   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.57 +/- 2.26   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.28 +/- 1.55   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.34 +/- 2.82   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.33 +/- 2.23   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.11 +/- 3.00   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.73 +/- 1.68   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.76 +/- 2.15   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.89 +/- 2.98   0.000% *  0.0269% (0.28   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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.34 +/- 0.10  99.229% * 96.9774% (1.00  10.0 10.00   6.21 315.22) = 100.000%  kept
          HB3   PRO   93 - HD3   LYS+ 111  12.12 +/- 3.35   0.540% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  33   7.88 +/- 0.98   0.101% *  0.0861% (0.89   1.0  1.00   0.02   0.55) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.90 +/- 0.91   0.022% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.15 +/- 0.69   0.068% *  0.0201% (0.21   1.0  1.00   0.02   1.21) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.51 +/- 1.55   0.004% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.44 +/- 1.34   0.004% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.51 +/- 2.52   0.002% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.14 +/- 0.83   0.006% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.74 +/- 2.13   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  17.12 +/- 3.04   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 1.58   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.02 +/- 1.52   0.001% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.42 +/- 2.79   0.005% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.94 +/- 1.82   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.59 +/- 2.23   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.45 +/- 1.40   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.62 +/- 2.60   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.78 +/- 1.87   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  28.29 +/- 2.46   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  20.02 +/- 4.16   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.50 +/- 2.81   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.01 +/- 2.11   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.25 +/- 1.11   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.46 +/- 1.35   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.37 +/- 1.66   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.90 +/- 3.26   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.26 +/- 2.66   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  21.45 +/- 2.60   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.28 +/- 1.96   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.70 +/- 2.74   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.70 +/- 1.48   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.43 +/- 1.52   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.55 +/- 0.95   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.38 +/- 2.03   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.73 +/- 2.25   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.45 +/- 1.11   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.16 +/- 1.34   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.45 +/- 2.85   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.83 +/- 0.20  97.718% * 97.4498% (1.00  10.0 10.00   5.40 315.22) =  99.999%  kept
          HG    LEU   71 - QD    LYS+  33   6.72 +/- 1.51   1.374% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   7.70 +/- 1.24   0.362% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.91 +/- 1.36   0.137% *  0.0366% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.62 +/- 1.66   0.251% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.89 +/- 2.00   0.041% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.20 +/- 1.21   0.005% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.47 +/- 3.04   0.002% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  19.32 +/- 3.72   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.41 +/- 1.48   0.065% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.23 +/- 2.51   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  14.25 +/- 1.49   0.008% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.11 +/- 1.12   0.013% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.27 +/- 1.30   0.013% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  28.31 +/- 2.21   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.54   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  22.19 +/- 3.17   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.71 +/- 2.61   0.005% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.71 +/- 2.38   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.54 +/- 2.97   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.64 +/- 2.08   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.59 +/- 2.34   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.86 +/- 1.93   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.25 +/- 2.30   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.50 +/- 0.09  99.960% * 98.5534% (1.00  10.0 10.00   4.97 315.22) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  10.26 +/- 1.24   0.030% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.55 +/- 2.36   0.005% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.00 +/- 2.34   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.55 +/- 1.72   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.55 +/- 1.24   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.73 +/- 1.40   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.00 +/- 0.95   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.06 +/- 2.76   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 = 315.2:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.96 +/- 0.54  98.261% * 99.9354% (1.00 10.00   5.62 315.22) =  99.999%  kept
          HA    PRO   52 - QE    LYS+ 111   9.16 +/- 2.37   1.739% *  0.0646% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.2:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.26 +/- 0.79  89.657% * 98.9314% (1.00 10.00   6.06 315.22) =  99.993%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.95 +/- 1.02  10.275% *  0.0560% (0.57  1.00   0.02   0.02) =   0.006%
          HB    ILE  119 - QE    LYS+ 111  11.87 +/- 1.37   0.061% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.48 +/- 1.98   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.87 +/- 2.03   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.06 +/- 1.96   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.39 +/- 1.56   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.98 +/- 1.90   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.80 +/- 2.22   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.72 +/- 2.78   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.07 +/- 1.66   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.54 +/- 1.85   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.97 +/- 0.32  99.372% * 99.2615% (1.00  10.0 10.00   5.62 315.22) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111  10.70 +/- 2.93   0.514% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.63 +/- 2.62   0.023% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.84 +/- 1.97   0.014% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.06 +/- 1.85   0.011% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.64 +/- 2.39   0.042% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.36 +/- 2.62   0.017% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.17 +/- 2.91   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.57 +/- 1.04   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.57 +/- 1.97   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.67 +/- 1.63   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.07 +/- 1.72   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.61 +/- 1.74   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.2:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.42 +/- 0.57  99.273% * 99.3524% (1.00  10.0 10.00   5.44 315.22) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.91 +/- 1.61   0.717% *  0.0373% (0.38   1.0  1.00   0.02  27.53) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.19 +/- 2.67   0.003% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  17.14 +/- 3.49   0.005% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.34 +/- 1.56   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.07 +/- 1.54   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.55 +/- 1.80   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.46 +/- 2.07   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.23 +/- 0.08  99.179% * 98.3525% (1.00  10.0 10.00   4.97 315.22) =  99.999%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.99 +/- 3.44   0.642% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 111   9.67 +/- 2.48   0.167% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.27 +/- 1.80   0.010% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.54 +/- 2.47   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.00 +/- 2.34   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.36 +/- 1.10   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.64 +/- 1.80   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.35 +/- 1.61   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.10 +/- 1.69   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.52 +/- 2.92   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 = 315.2:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.50 +/- 0.09  99.975% * 98.5544% (1.00  10.0 10.00   4.97 315.22) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.60 +/- 2.06   0.018% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.00 +/- 2.34   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  17.69 +/- 2.66   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.28 +/- 1.19   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.85 +/- 1.28   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.55 +/- 1.72   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.52 +/- 2.92   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.9:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.84 +/- 0.13  99.598% * 98.3538% (1.00  10.0 10.00   6.00 230.85) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   9.89 +/- 3.14   0.366% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  17.27 +/- 1.50   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.61 +/- 0.84   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.83 +/- 1.69   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.01 +/- 1.95   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  18.45 +/- 2.46   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.11 +/- 1.51   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.46 +/- 0.86   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.79 +/- 2.23   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.69 +/- 1.00   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.99 +/- 2.04   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.72 +/- 1.13   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  27.19 +/- 2.27   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 = 230.9:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.59  99.933% * 99.8441% (1.00  10.0 10.00   6.08 230.85) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.60 +/- 1.95   0.041% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  12.74 +/- 1.35   0.026% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.9:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.11 +/- 0.67  99.617% * 99.8009% (1.00  10.0 10.00   5.76 230.85) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.36 +/- 1.50   0.147% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.40 +/- 0.80   0.229% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.31 +/- 1.40   0.006% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  21.90 +/- 2.66   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 0.12 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 6.1, residual support = 230.8:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.67 +/- 0.27  87.079% * 43.2573% (0.76  10.0 10.00   6.23 230.85) =  84.626%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.18 +/- 0.66  12.089% * 56.6026% (1.00   1.0 10.00   5.37 230.85) =  15.374%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.29 +/- 0.73   0.796% *  0.0212% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  10.85 +/- 1.25   0.034% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  20.02 +/- 3.39   0.002% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  21.92 +/- 1.37   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.8:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.84 +/- 0.13  99.572% * 98.8850% (1.00  10.0 10.00   6.00 230.85) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42  10.40 +/- 4.16   0.402% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  17.27 +/- 1.50   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  14.87 +/- 3.04   0.012% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.69 +/- 1.03   0.009% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  16.88 +/- 1.02   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.777, support = 4.97, residual support = 123.5:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  81.335% * 40.6012% (0.70  10.0 10.00   4.39  88.53) =  75.427%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.78 +/- 0.27  18.658% * 57.6594% (1.00  10.0 10.00   6.74 230.85) =  24.573%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.35 +/- 2.33   0.005% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.65 +/- 1.22   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.23 +/- 0.77   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.71 +/- 1.71   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.8:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.62 +/- 0.26  98.948% * 98.8037% (1.00  10.0 10.00   5.76 230.85) = 100.000%  kept
          QG2   VAL  108 - HB    VAL   42  11.23 +/- 1.88   0.777% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   42   9.25 +/- 1.55   0.146% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.24 +/- 0.99   0.084% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  12.30 +/- 1.31   0.013% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  19.18 +/- 2.19   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.14 +/- 0.86   0.021% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.00 +/- 1.17   0.009% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  23.56 +/- 2.82   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.54 +/- 0.99   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.776, support = 6.22, residual support = 230.9:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  95.937% * 42.8460% (0.76  10.0 10.00   6.23 230.85) =  95.021%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.33 +/- 0.59   3.842% * 56.0644% (1.00  10.0 10.00   6.08 230.85) =   4.979%  kept
          HB3   LEU   71 - HB    VAL   42   5.22 +/- 0.26   0.144% *  0.0468% (0.84   1.0  1.00   0.02   5.37) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.72 +/- 0.96   0.072% *  0.0210% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.69 +/- 0.78   0.004% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.59 +/- 1.12   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.43 +/- 2.38   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.60 +/- 1.62   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  18.55 +/- 2.66   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.68 +/- 2.19   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  21.51 +/- 3.48   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.16 +/- 1.27   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 230.9:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.81 +/- 0.59  99.943% * 99.8459% (1.00  10.0 10.00   6.08 230.85) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  13.76 +/- 2.94   0.053% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.46 +/- 1.27   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 230.8:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.78 +/- 0.27  98.978% * 98.3538% (1.00  10.0 10.00   6.74 230.85) =  99.999%  kept
          HB3   PRO   93 - HG2   LYS+ 112  10.60 +/- 3.76   0.999% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  18.71 +/- 1.71   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.50 +/- 1.06   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.19 +/- 2.49   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.00 +/- 2.38   0.009% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.84 +/- 3.24   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.13 +/- 1.98   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.41 +/- 1.06   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.20 +/- 1.05   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.47 +/- 2.21   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.86 +/- 2.18   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.98 +/- 1.52   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  27.80 +/- 2.51   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 230.9:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.995% * 99.8009% (1.00  10.0 10.00   6.98 230.85) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.56 +/- 1.75   0.002% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  10.78 +/- 1.20   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  22.72 +/- 3.10   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.18 +/- 1.40   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 6.69, residual support = 230.9:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.87 +/- 0.23  43.485% * 56.6026% (1.00  10.0 10.00   6.41 230.85) =  50.311%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.73 +/- 0.23  56.196% * 43.2573% (0.76  10.0 10.00   6.97 230.85) =  49.689%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.27 +/- 0.96   0.307% *  0.0212% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.08 +/- 1.58   0.011% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  20.79 +/- 4.08   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.21 +/- 1.66   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.9:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.11 +/- 0.67  99.971% * 99.8459% (1.00  10.0 10.00   5.76 230.85) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.12 +/- 3.34   0.023% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.00 +/- 1.45   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.8:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.62 +/- 0.26  99.235% * 98.3538% (1.00  10.0 10.00   5.76 230.85) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  10.88 +/- 4.08   0.744% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  19.18 +/- 2.19   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.79 +/- 2.73   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.74 +/- 1.12   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  14.42 +/- 2.81   0.010% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.06 +/- 3.35   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.58 +/- 2.63   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.84 +/- 1.06   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.55 +/- 1.35   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.86 +/- 2.43   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.18 +/- 1.96   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  28.28 +/- 2.72   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.48 +/- 2.04   0.000% *  0.0882% (0.90   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 230.9:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8441% (1.00  10.0 10.00   6.98 230.85) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.75 +/- 2.80   0.003% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.31 +/- 1.91   0.001% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 5.59, residual support = 230.9:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.11  67.527% * 56.6026% (1.00  10.0 10.00   5.44 230.85) =  73.508%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.76 +/- 0.28  31.844% * 43.2573% (0.76  10.0  1.00   6.02 230.85) =  26.492%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.13 +/- 1.13   0.623% *  0.0212% (0.38   1.0  1.00   0.02  27.53) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.26 +/- 1.66   0.006% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  20.99 +/- 4.27   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.71 +/- 2.10   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 230.8:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.18 +/- 0.66  98.870% * 99.8459% (1.00 10.00   5.37 230.85) =  99.999%  kept
          HB    THR   46 - HD2   LYS+ 112  14.29 +/- 3.42   1.102% *  0.0646% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HD2   LYS+ 112  17.06 +/- 1.87   0.029% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 230.8:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.33 +/- 0.59  97.525% * 98.3538% (1.00  10.0 10.00   6.08 230.85) =  99.999%  kept
          HB3   PRO   93 - HD2   LYS+ 112  11.57 +/- 3.95   2.354% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HD2   LYS+ 112  19.43 +/- 2.38   0.007% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  17.00 +/- 2.96   0.019% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.74 +/- 2.85   0.060% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.85 +/- 1.31   0.008% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.59 +/- 3.45   0.009% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.74 +/- 2.60   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.64 +/- 1.58   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.59 +/- 2.57   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.19 +/- 1.67   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.09 +/- 1.99   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  27.82 +/- 2.78   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.64 +/- 2.10   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 230.9:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.87 +/- 0.23  99.937% * 99.8441% (1.00  10.0 10.00   6.41 230.85) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  13.13 +/- 2.89   0.053% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  14.55 +/- 2.05   0.010% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 230.9:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.11  99.976% * 99.8009% (1.00  10.0 10.00   5.44 230.85) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  11.89 +/- 2.17   0.015% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  11.95 +/- 1.21   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  23.40 +/- 3.41   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.30 +/- 1.72   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.0:
    * O T QB    ASP- 113 - HA    ASP- 113   2.48 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   2.00  13.98) = 100.000%  kept
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.0:
    * O T HA    ASP- 113 - QB    ASP- 113   2.48 +/- 0.09  99.956% * 99.1713% (1.00  10.0 10.00   2.00  13.98) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.35 +/- 0.96   0.013% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.05 +/- 1.13   0.029% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.09 +/- 0.61   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.34 +/- 1.29   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  28.08 +/- 1.34   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.93, support = 3.27, residual support = 49.9:
    * O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.15  71.032% * 63.8790% (0.97  10.0 10.00   3.15  44.33) =  95.442%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.74 +/- 0.13  25.368% *  6.0284% (0.09  10.0 10.00   6.19 227.96) =   3.217%  kept
        T QB    GLU- 114 - HA    LEU  115   4.35 +/- 0.41   2.165% * 29.3979% (0.44   1.0 10.00   4.79  15.62) =   1.339%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.07   0.340% *  0.1310% (0.20   1.0 10.00   0.02  15.62) =   0.001%
          HB2   LYS+ 111 - HA    GLU- 114   5.22 +/- 1.18   0.920% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.94 +/- 1.41   0.159% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.62 +/- 1.50   0.011% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.96 +/- 1.70   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.74 +/- 1.65   0.000% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.93 +/- 2.32   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.47 +/- 0.84   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.24 +/- 1.08   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.59 +/- 0.92   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.69 +/- 1.09   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.07 +/- 1.22   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.13 +/- 1.30   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.51 +/- 1.95   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.53 +/- 1.14   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.22 +/- 1.66   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.66 +/- 1.85   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.95 +/- 0.97   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.74 +/- 1.12   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.858, support = 3.66, residual support = 36.9:
    * O T QG    GLU- 114 - HA    GLU- 114   3.01 +/- 0.36  56.780% * 68.1764% (1.00  10.0 10.00   3.41  44.33) =  74.079%  kept
        T QG    GLU- 114 - HA    LEU  115   3.80 +/- 1.29  43.172% * 31.3756% (0.46   1.0 10.00   4.36  15.62) =  25.921%  kept
          HG2   PRO   52 - HA    LEU  115  13.07 +/- 2.13   0.027% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  14.67 +/- 2.72   0.010% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU- 114  15.68 +/- 2.36   0.004% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  14.26 +/- 1.71   0.006% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.66 +/- 1.66   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.25 +/- 2.07   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.64 +/- 1.47   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.60 +/- 1.80   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.87 +/- 1.71   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.41 +/- 1.91   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.33 +/- 1.75   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.86 +/- 1.54   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 = 0.958, support = 3.18, residual support = 43.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.29 +/- 0.15  96.657% * 59.0968% (0.97  10.0 10.00   3.15  44.33) =  97.694%  kept
        T HA    LEU  115 - QB    GLU- 114   4.35 +/- 0.41   3.322% * 40.5940% (0.66   1.0 10.00   4.79  15.62) =   2.306%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.52 +/- 1.15   0.003% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  10.64 +/- 1.52   0.017% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.69 +/- 1.25   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.51 +/- 0.87   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.52 +/- 1.30   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.26 +/- 1.04   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 = 3.66, residual support = 44.3:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.05  99.980% * 99.1187% (0.96  10.0 10.00   3.66  44.33) = 100.000%  kept
          HG2   PRO   52 - QB    GLU- 114  11.52 +/- 2.42   0.014% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    GLU- 114  12.16 +/- 2.23   0.005% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.09 +/- 1.65   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  22.02 +/- 2.05   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.77 +/- 0.92   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.72 +/- 1.73   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.891, support = 3.74, residual support = 34.5:
    * O T HA    GLU- 114 - QG    GLU- 114   3.01 +/- 0.36  56.775% * 59.1519% (1.00  10.0 10.00   3.41  44.33) =  65.711%  kept
        T HA    LEU  115 - QG    GLU- 114   3.80 +/- 1.29  43.130% * 40.6319% (0.69   1.0 10.00   4.36  15.62) =  34.289%  kept
          HA    CYS   53 - QG    GLU- 114  10.06 +/- 1.86   0.082% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.00 +/- 1.52   0.011% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.02 +/- 1.53   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.73 +/- 1.23   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.65 +/- 1.92   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.35 +/- 1.68   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.963, support = 3.66, residual support = 44.3:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.05  78.265% * 98.5153% (0.96  10.0 10.00   3.66  44.33) =  99.983%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.66 +/- 1.37  15.628% *  0.0741% (0.72   1.0  1.00   0.02   0.02) =   0.015%
          HB2   LEU  115 - QG    GLU- 114   4.14 +/- 1.32   6.102% *  0.0202% (0.20   1.0  1.00   0.02  15.62) =   0.002%
          HG3   PRO   58 - QG    GLU- 114  12.01 +/- 1.81   0.004% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  25.78 +/- 2.25   0.000% *  0.9656% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.77 +/- 1.91   0.000% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  18.79 +/- 1.52   0.000% *  0.0942% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.13 +/- 1.56   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.15 +/- 1.40   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.13 +/- 1.54   0.000% *  0.0420% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.26 +/- 1.45   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.632, support = 5.52, residual support = 186.5:
    * O T HB2   LEU  115 - HA    LEU  115   2.74 +/- 0.13  21.327% * 63.8902% (0.84  10.0 10.00   6.19 227.96) =  72.233%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.15  59.886% *  5.3954% (0.07  10.0 10.00   3.15  44.33) =  17.129%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.89 +/- 0.23  16.626% *  9.9598% (0.13  10.0  1.00   4.76 159.00) =   8.778%  kept
        T QB    GLU- 114 - HA    LEU  115   4.35 +/- 0.41   1.777% * 19.7195% (0.26   1.0 10.00   4.79  15.62) =   1.857%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.07   0.282% *  0.1748% (0.23   1.0 10.00   0.02  15.62) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   7.67 +/- 1.22   0.075% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.23 +/- 1.04   0.005% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.62 +/- 1.50   0.009% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.52 +/- 1.15   0.002% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  12.69 +/- 1.65   0.003% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.96 +/- 1.70   0.002% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.52 +/- 1.94   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.69 +/- 1.52   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.32 +/- 1.04   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.74 +/- 1.65   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  16.22 +/- 1.84   0.001% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  19.07 +/- 1.72   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.47 +/- 0.84   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.06 +/- 2.12   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.86 +/- 1.29   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.06 +/- 1.64   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.93 +/- 2.32   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  23.35 +/- 1.70   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.59 +/- 0.92   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.419, support = 6.25, residual support = 228.0:
      O T HB3   LEU  115 - HA    LEU  115   2.37 +/- 0.27  83.598% * 25.2077% (0.26  10.0 10.00   6.29 227.96) =  65.507%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.51 +/- 0.49  15.662% * 70.8443% (0.72  10.0 10.00   6.16 227.96) =  34.491%  kept
        T HG    LEU  115 - HA    GLU- 114   6.43 +/- 0.56   0.212% *  0.1938% (0.20   1.0 10.00   0.02  15.62) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.43 +/- 0.16   0.198% *  0.0690% (0.07   1.0 10.00   0.02  15.62) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.38 +/- 0.37   0.086% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.42 +/- 1.04   0.009% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.47 +/- 0.44   0.089% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  13.20 +/- 2.24   0.004% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.25 +/- 1.18   0.008% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.36 +/- 1.32   0.051% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  16.56 +/- 1.56   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  15.12 +/- 1.78   0.002% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.02 +/- 1.98   0.066% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.40 +/- 2.36   0.006% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  19.24 +/- 1.72   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.03 +/- 0.96   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.19 +/- 1.17   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  20.40 +/- 1.84   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.81 +/- 1.58   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  24.22 +/- 1.56   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  14.70 +/- 1.12   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.76 +/- 1.11   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.86 +/- 1.85   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.45 +/- 1.50   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  16.38 +/- 2.38   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.32 +/- 0.77   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.91 +/- 2.04   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.43 +/- 1.19   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.36 +/- 1.88   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.92 +/- 1.07   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.828, support = 6.17, residual support = 225.5:
    *   T QD1   LEU  115 - HA    LEU  115   3.81 +/- 0.58  93.922% * 78.0672% (0.84 10.00   6.19 227.96) =  98.827%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.50 +/- 0.64   4.037% * 21.3596% (0.23 10.00   4.44  15.62) =   1.162%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.09 +/- 0.90   1.805% *  0.4377% (0.47 10.00   0.02   0.02) =   0.011%
          QG1   VAL   75 - HA    ARG+  54  12.63 +/- 1.77   0.174% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  14.29 +/- 1.12   0.045% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.06 +/- 1.40   0.017% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.802, support = 7.39, residual support = 226.4:
    *   T QD2   LEU  115 - HA    LEU  115   2.95 +/- 0.44  87.957% * 77.6784% (0.81 10.00   7.41 227.96) =  99.248%  kept
        T QD2   LEU  115 - HA    GLU- 114   6.00 +/- 0.52   2.407% * 21.2532% (0.22 10.00   4.44  15.62) =   0.743%  kept
          QD1   LEU   63 - HA    LEU  115   5.52 +/- 1.20   5.689% *  0.0761% (0.79  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HA    LEU  115   6.33 +/- 1.19   3.388% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HA    ARG+  54   9.63 +/- 1.05   0.104% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.94 +/- 1.27   0.165% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.03 +/- 1.13   0.047% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.22 +/- 1.60   0.028% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.34 +/- 1.19   0.157% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.29 +/- 0.84   0.005% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.79 +/- 2.32   0.007% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.38 +/- 1.41   0.017% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.95 +/- 1.30   0.016% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  18.06 +/- 1.33   0.002% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.89 +/- 1.81   0.003% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  19.29 +/- 2.09   0.002% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.32 +/- 0.85   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.65 +/- 1.94   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  18.02 +/- 1.94   0.002% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.85 +/- 1.44   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  21.62 +/- 2.47   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 227.9:
    * O T HA    LEU  115 - HB2   LEU  115   2.74 +/- 0.13  98.540% * 98.0930% (0.84  10.0 10.00   6.19 227.96) =  99.994%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.58 +/- 0.07   1.431% *  0.4006% (0.34   1.0 10.00   0.02  15.62) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.23 +/- 1.04   0.026% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.72 +/- 0.80   0.001% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.27 +/- 1.90   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.94 +/- 1.99   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.21 +/- 1.32   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  22.80 +/- 2.12   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.52 +/- 1.39   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.439, support = 6.12, residual support = 228.0:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  90.260% * 25.8976% (0.31  10.0 10.00   6.11 227.96) =  76.748%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.58 +/- 0.21   9.730% * 72.7830% (0.87  10.0 10.00   6.17 227.96) =  23.252%  kept
          QB    ALA  120 - HB2   LEU  115   8.73 +/- 0.52   0.006% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.58 +/- 1.57   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.76 +/- 1.29   0.002% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  17.15 +/- 1.76   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  14.81 +/- 2.27   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.24 +/- 1.55   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.03 +/- 1.26   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.54 +/- 1.13   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 228.0:
    * O T QD1   LEU  115 - HB2   LEU  115   2.33 +/- 0.14  99.998% * 99.9055% (1.00  10.0 10.00   6.00 227.96) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.37 +/- 1.48   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.22, residual support = 227.9:
    * O T QD2   LEU  115 - HB2   LEU  115   3.07 +/- 0.29  96.307% * 99.5578% (0.97  10.0 10.00   7.22 227.96) =  99.997%  kept
          QD1   LEU   63 - HB2   LEU  115   6.34 +/- 1.04   2.958% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU  115   7.51 +/- 0.90   0.711% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.12 +/- 1.55   0.014% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.17 +/- 0.95   0.005% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.17 +/- 1.38   0.003% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.53 +/- 2.04   0.002% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.16, residual support = 227.9:
    * O T HA    LEU  115 - HG    LEU  115   3.51 +/- 0.49  94.667% * 97.1402% (0.72  10.0 10.00   6.16 227.96) =  99.982%  kept
        T HA    GLU- 114 - HG    LEU  115   6.43 +/- 0.56   3.723% *  0.3967% (0.30   1.0 10.00   0.02  15.62) =   0.016%
        T HA    ARG+  54 - HG    LEU  115  11.42 +/- 1.04   0.126% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU   40   8.53 +/- 0.75   0.666% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.59 +/- 1.55   0.474% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  15.62 +/- 5.70   0.240% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  15.12 +/- 1.78   0.020% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.07 +/- 1.23   0.031% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.70 +/- 1.38   0.011% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.81 +/- 1.58   0.007% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.86 +/- 1.85   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.19 +/- 0.46   0.027% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.99 +/- 2.41   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  24.52 +/- 2.01   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.57 +/- 2.52   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  23.75 +/- 2.49   0.001% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  24.12 +/- 2.03   0.001% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  30.86 +/- 2.08   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.17, residual support = 228.0:
    * O T HB2   LEU  115 - HG    LEU  115   2.58 +/- 0.21  98.667% * 98.2266% (0.87  10.0 10.00   6.17 227.96) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   8.45 +/- 1.34   0.119% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU  115   8.22 +/- 1.86   0.322% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU  115   5.95 +/- 0.61   0.827% *  0.0303% (0.27   1.0  1.00   0.02  15.62) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  13.78 +/- 2.25   0.011% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  17.15 +/- 1.76   0.001% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.52 +/- 1.15   0.009% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.39 +/- 1.21   0.019% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  12.20 +/- 1.41   0.012% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.73 +/- 1.82   0.003% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.90 +/- 1.23   0.005% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.42 +/- 1.79   0.001% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.36 +/- 1.63   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.80 +/- 1.06   0.002% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.96 +/- 1.66   0.000% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.77 +/- 1.61   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 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 = 5.98, residual support = 228.0:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  99.996% * 99.5358% (0.87  10.0 10.00   5.98 227.96) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  14.89 +/- 1.85   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  15.09 +/- 1.61   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.61 +/- 1.06   0.002% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.16, residual support = 227.9:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  94.921% * 99.0740% (0.84  10.0 10.00   7.16 227.96) =  99.996%  kept
          QD1   LEU   63 - HG    LEU  115   6.57 +/- 1.59   3.904% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG    LEU   40   5.39 +/- 1.22   0.950% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   7.42 +/- 1.49   0.103% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.24 +/- 1.35   0.043% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   9.14 +/- 1.44   0.023% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   8.39 +/- 1.72   0.052% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  13.82 +/- 2.20   0.002% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.43 +/- 1.82   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.58 +/- 1.47   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.58 +/- 2.70   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.81 +/- 1.84   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  16.60 +/- 3.53   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  20.32 +/- 2.45   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.827, support = 6.16, residual support = 224.2:
    *   T HA    LEU  115 - QD1   LEU  115   3.81 +/- 0.58  94.084% * 70.2377% (0.84 10.00   6.19 227.96) =  98.254%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.50 +/- 0.64   4.045% * 28.6837% (0.34 10.00   4.44  15.62) =   1.725%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.09 +/- 0.90   1.810% *  0.7762% (0.92 10.00   0.02   0.02) =   0.021%
          HA    ALA  124 - QD1   LEU  115  15.04 +/- 1.03   0.035% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.41 +/- 1.97   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.75 +/- 1.93   0.010% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  20.49 +/- 1.48   0.005% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.02 +/- 2.21   0.006% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.82 +/- 1.51   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.9:
    * O T HB2   LEU  115 - QD1   LEU  115   2.33 +/- 0.14  95.502% * 99.6279% (1.00  10.0 10.00   6.00 227.96) =  99.996%  kept
          HG3   PRO   58 - QD1   LEU  115   5.83 +/- 2.19   2.914% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD1   LEU  115   5.53 +/- 0.75   1.530% *  0.0307% (0.31   1.0  1.00   0.02  15.62) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.02 +/- 1.01   0.037% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  11.79 +/- 1.46   0.008% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.47 +/- 1.41   0.006% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.74 +/- 1.51   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.69 +/- 1.33   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.796, support = 6.0, residual support = 228.0:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  70.762% * 72.7830% (0.87  10.0 10.00   5.98 227.96) =  87.199%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.49 +/- 0.28  29.194% * 25.8976% (0.31  10.0 10.00   6.11 227.96) =  12.801%  kept
          QB    ALA  120 - QD1   LEU  115   7.92 +/- 0.53   0.028% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  16.01 +/- 1.56   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  14.89 +/- 1.85   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.07 +/- 0.93   0.007% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.44 +/- 2.01   0.003% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.50 +/- 1.79   0.004% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  12.85 +/- 1.45   0.002% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.82 +/- 1.18   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 227.9:
    * O T QD2   LEU  115 - QD1   LEU  115   2.02 +/- 0.07  96.408% * 99.5578% (0.97  10.0 10.00   7.21 227.96) =  99.996%  kept
          QD1   LEU   63 - QD1   LEU  115   5.46 +/- 1.11   3.476% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QD1   LEU  115   6.63 +/- 1.01   0.112% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.58 +/- 1.54   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.50 +/- 1.09   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  14.97 +/- 1.36   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  16.33 +/- 1.78   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 225.5:
    *   T HA    LEU  115 - QD2   LEU  115   2.95 +/- 0.44  97.107% * 70.2377% (0.81 10.00   7.41 227.96) =  98.857%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.00 +/- 0.52   2.747% * 28.6837% (0.33 10.00   4.44  15.62) =   1.142%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.63 +/- 1.05   0.122% *  0.7762% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  13.04 +/- 1.08   0.018% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.37 +/- 2.38   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.73 +/- 2.02   0.001% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.24 +/- 2.39   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.90 +/- 2.20   0.001% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  25.02 +/- 2.03   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.22, residual support = 227.9:
    * O T HB2   LEU  115 - QD2   LEU  115   3.07 +/- 0.29  94.142% * 99.6279% (0.97  10.0 10.00   7.22 227.96) =  99.996%  kept
          HG3   PRO   58 - QD2   LEU  115   6.43 +/- 1.42   3.089% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD2   LEU  115   5.66 +/- 0.47   2.544% *  0.0307% (0.30   1.0  1.00   0.02  15.62) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  10.57 +/- 1.66   0.092% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.37 +/- 1.60   0.041% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.73 +/- 1.12   0.069% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.39 +/- 1.45   0.015% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.41 +/- 1.63   0.009% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 7.18, residual support = 228.0:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  68.230% * 72.7830% (0.84  10.0 10.00   7.16 227.96) =  85.856%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.45 +/- 0.34  31.590% * 25.8976% (0.30  10.0 10.00   7.29 227.96) =  14.144%  kept
          QB    ALA  120 - QD2   LEU  115   6.23 +/- 0.87   0.139% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  14.89 +/- 1.97   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.19 +/- 1.11   0.027% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  13.82 +/- 2.20   0.001% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.07 +/- 2.23   0.007% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  10.96 +/- 1.36   0.005% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.20 +/- 1.79   0.002% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.88 +/- 1.74   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 228.0:
    * O T QD1   LEU  115 - QD2   LEU  115   2.02 +/- 0.07  99.997% * 99.9055% (0.97  10.0 10.00   7.21 227.96) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.42 +/- 1.64   0.003% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 123.1:
    * O T HB2   GLN  116 - HA    GLN  116   2.86 +/- 0.10  99.733% * 98.6426% (1.00  10.0 10.00   5.28 123.06) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   8.88 +/- 1.84   0.251% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.51 +/- 2.46   0.015% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.84 +/- 2.63   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.56 +/- 2.01   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.53 +/- 1.59   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 123.1:
    * O T HG2   GLN  116 - HA    GLN  116   2.26 +/- 0.47  99.966% * 99.8732% (1.00  10.0 10.00   5.21 123.06) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.63 +/- 1.79   0.034% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.61 +/- 2.32   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 0.04 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 123.1:
    * O T HA    GLN  116 - HB2   GLN  116   2.86 +/- 0.10  99.995% * 98.1197% (1.00  10.0 10.00   5.28 123.06) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  19.39 +/- 2.22   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.15 +/- 1.82   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.95 +/- 2.00   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.49 +/- 1.65   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  21.10 +/- 1.79   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.60 +/- 2.57   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.92 +/- 2.34   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  31.30 +/- 2.16   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 123.1:
    * O T HG2   GLN  116 - HB2   GLN  116   2.79 +/- 0.16  99.981% * 99.8732% (1.00  10.0 10.00   5.78 123.06) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.07 +/- 1.35   0.019% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.17 +/- 2.06   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 0.27 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 123.1:
    * O T HA    GLN  116 - HG2   GLN  116   2.26 +/- 0.47  99.997% * 99.5202% (1.00  10.0 10.00   5.21 123.06) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  18.40 +/- 2.85   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  17.97 +/- 2.21   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.03 +/- 2.91   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.15 +/- 2.23   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.00 +/- 2.99   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.22 +/- 2.70   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.99 +/- 2.23   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  31.45 +/- 2.05   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 123.1:
    * O T HB2   GLN  116 - HG2   GLN  116   2.79 +/- 0.16  99.726% * 99.6852% (1.00  10.0 10.00   5.78 123.06) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   8.73 +/- 1.90   0.268% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.36 +/- 2.49   0.006% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.61 +/- 2.76   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.30 +/- 1.75   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.95 +/- 2.08   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.27 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 = 1.6, residual support = 16.3:
    * O T QB    SER  117 - HA    SER  117   2.38 +/- 0.10  99.286% * 98.0631% (1.00  10.0 10.00   1.60  16.28) = 100.000%  kept
          HA    LYS+ 121 - HA    SER  117   6.63 +/- 0.77   0.301% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   6.02 +/- 0.32   0.408% *  0.0403% (0.41   1.0  1.00   0.02   5.76) =   0.000%
          HA    PHE   60 - HA    SER  117  13.10 +/- 1.04   0.004% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  21.41 +/- 1.96   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.25 +/- 1.55   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.98 +/- 1.13   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  28.25 +/- 1.79   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.60 +/- 1.77   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.6, residual support = 16.3:
    * O T HA    SER  117 - QB    SER  117   2.38 +/- 0.10  99.918% * 99.1287% (1.00  10.0 10.00   1.60  16.28) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.61 +/- 0.74   0.057% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.71 +/- 0.93   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.47 +/- 1.47   0.014% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.02 +/- 2.14   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.85 +/- 0.56   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.25 +/- 1.55   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.08 +/- 1.93   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.67 +/- 1.93   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.79 +/- 2.01   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  18.74 +/- 1.50   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  28.25 +/- 1.79   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.65 +/- 1.25   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.68 +/- 0.99   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  26.42 +/- 0.94   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 255.5:
    * O T HB    ILE  119 - HA    ILE  119   2.87 +/- 0.08  99.923% * 99.2403% (0.87  10.0 10.00   6.61 255.48) = 100.000%  kept
          HB    VAL  108 - HA    ILE  119  12.71 +/- 1.75   0.021% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.33 +/- 1.38   0.020% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  13.78 +/- 1.34   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.72 +/- 2.26   0.014% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.52 +/- 1.88   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.86 +/- 1.67   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.71 +/- 1.25   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  20.82 +/- 3.68   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.47 +/- 2.84   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.82 +/- 2.26   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.06 +/- 2.59   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.93, residual support = 255.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.84 +/- 0.25  93.086% * 99.7168% (1.00  10.0 10.00   6.93 255.48) =  99.999%  kept
          QD1   LEU   67 - HA    ILE  119   6.52 +/- 2.74   6.700% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  10.13 +/- 2.93   0.150% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.94 +/- 2.86   0.017% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  12.06 +/- 2.64   0.033% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.98 +/- 1.98   0.010% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.38 +/- 1.71   0.004% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 255.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.46 +/- 0.28  99.784% * 99.4466% (1.00  10.0 10.00   6.68 255.48) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.59 +/- 3.39   0.183% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  11.98 +/- 2.04   0.016% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.15 +/- 1.89   0.013% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.39 +/- 1.88   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.34 +/- 1.79   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.61 +/- 2.10   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.68 +/- 1.42   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.85 +/- 2.52   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.37 +/- 1.74   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.96 +/- 2.19   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 255.5:
    * O T HG13  ILE  119 - HA    ILE  119   2.69 +/- 0.44  93.026% * 99.6771% (1.00  10.0 10.00   6.34 255.48) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.42 +/- 1.89   5.761% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.19 +/- 0.66   0.541% *  0.0308% (0.31   1.0  1.00   0.02   1.84) =   0.000%
          QG2   VAL  107 - HA    ILE  119   6.82 +/- 1.38   0.646% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.45 +/- 1.84   0.022% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.09 +/- 1.38   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.57 +/- 3.13   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.78 +/- 2.76   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.03, residual support = 255.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.44 +/- 0.60  99.560% * 99.2846% (0.97 10.00   6.03 255.48) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119  11.34 +/- 3.44   0.249% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.57 +/- 1.56   0.183% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.86 +/- 1.87   0.008% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 251.4:
    * O T HA    ILE  119 - HB    ILE  119   2.87 +/- 0.08  98.031% * 50.8167% (0.87  10.0 10.00   6.61 255.48) =  98.154%  kept
        T HA    THR  118 - HB    ILE  119   5.54 +/- 0.14   1.911% * 49.0416% (0.84   1.0 10.00   4.81  36.05) =   1.846%  kept
          HA2   GLY  109 - HB    ILE  119  13.07 +/- 1.94   0.057% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  22.82 +/- 1.97   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  24.11 +/- 1.98   0.000% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.21 +/- 1.67   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 255.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  99.787% * 99.7168% (0.87  10.0 10.00   6.31 255.48) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.31 +/- 2.88   0.203% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.28 +/- 2.51   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.21 +/- 2.63   0.005% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.88 +/- 1.98   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.42 +/- 2.34   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.18 +/- 1.85   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.8, residual support = 255.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.55 +/- 0.22  99.934% * 99.4466% (0.87  10.0 10.00   5.80 255.48) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119  10.01 +/- 3.18   0.050% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  13.74 +/- 2.15   0.006% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.26 +/- 1.87   0.007% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.69 +/- 1.99   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.26 +/- 1.95   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.22 +/- 2.19   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.61 +/- 1.52   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.78 +/- 2.35   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.99 +/- 1.82   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.69 +/- 2.28   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 5.68, residual support = 254.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.86 +/- 0.25  92.134% * 94.7562% (0.87  10.0 10.00   5.70 255.48) =  99.680%  kept
        T QG1   VAL  107 - HB    ILE  119   5.46 +/- 1.87   5.760% *  4.8199% (0.13   1.0 10.00   0.66   0.40) =   0.317%
        T QG2   VAL  107 - HB    ILE  119   6.35 +/- 1.57   1.660% *  0.1462% (0.13   1.0 10.00   0.02   0.40) =   0.003%
          HD3   LYS+ 112 - HB    ILE  119   9.02 +/- 1.84   0.316% *  0.0499% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.76 +/- 0.46   0.127% *  0.0292% (0.27   1.0  1.00   0.02   1.84) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.10 +/- 1.47   0.002% *  0.0651% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.72 +/- 2.69   0.000% *  0.0945% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.86 +/- 2.60   0.001% *  0.0390% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 255.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.43 +/- 0.34  99.954% * 99.2846% (0.84  10.0 10.00   5.44 255.48) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  10.81 +/- 1.30   0.036% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  13.45 +/- 3.09   0.009% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.93 +/- 1.84   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.89, residual support = 251.6:
    * O T HA    ILE  119 - QG2   ILE  119   2.84 +/- 0.25  98.142% * 50.8167% (1.00  10.0 10.00   6.93 255.48) =  98.231%  kept
        T HA    THR  118 - QG2   ILE  119   5.70 +/- 0.22   1.832% * 49.0416% (0.97   1.0 10.00   4.55  36.05) =   1.769%  kept
          HA2   GLY  109 - QG2   ILE  119  12.63 +/- 1.74   0.022% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.25 +/- 1.52   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  21.46 +/- 1.67   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.71 +/- 1.50   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 255.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  99.976% * 99.2403% (0.87  10.0 10.00   6.31 255.48) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  12.05 +/- 1.83   0.005% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.53 +/- 1.03   0.008% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.48 +/- 1.10   0.003% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.72 +/- 1.98   0.003% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.51 +/- 1.23   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  14.66 +/- 2.11   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.77 +/- 1.94   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.66 +/- 3.26   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  19.12 +/- 2.54   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  20.12 +/- 2.17   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  25.35 +/- 2.17   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 255.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.09 +/- 0.32  99.512% * 99.4466% (1.00  10.0 10.00   6.12 255.48) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   9.49 +/- 2.66   0.295% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.55 +/- 2.17   0.103% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.92 +/- 1.65   0.057% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  14.67 +/- 2.04   0.016% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  16.37 +/- 1.58   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.24 +/- 2.13   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  20.21 +/- 1.21   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  23.58 +/- 2.26   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  20.05 +/- 1.45   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.28 +/- 2.27   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 = 6.01, residual support = 255.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.57 +/- 0.30  98.272% * 99.6771% (1.00  10.0 10.00   6.01 255.48) = 100.000%  kept
          HD3   LYS+ 112 - QG2   ILE  119   8.40 +/- 1.76   0.334% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   ILE  119   6.06 +/- 1.34   0.781% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.47 +/- 0.40   0.290% *  0.0308% (0.31   1.0  1.00   0.02   1.84) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   6.89 +/- 1.19   0.319% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.28 +/- 1.45   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  20.37 +/- 2.65   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  19.02 +/- 2.23   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 255.5:
    *   T QD1   ILE  119 - QG2   ILE  119   2.03 +/- 0.17  99.988% * 99.8078% (0.97 10.00   5.75 255.48) = 100.000%  kept
          QG2   VAL  108 - QG2   ILE  119  10.46 +/- 1.01   0.007% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   ILE  119  11.91 +/- 2.77   0.005% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  16.77 +/- 1.60   0.000% *  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 = 1.0, support = 6.67, residual support = 254.4:
    * O T HA    ILE  119 - HG12  ILE  119   2.46 +/- 0.28  99.385% * 50.8167% (1.00  10.0 10.00   6.68 255.48) =  99.486%  kept
        T HA    THR  118 - HG12  ILE  119   6.30 +/- 0.24   0.532% * 49.0416% (0.97   1.0 10.00   5.14  36.05) =   0.513%  kept
          HA2   GLY  109 - HG12  ILE  119  12.69 +/- 2.18   0.082% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.64 +/- 1.59   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  22.46 +/- 2.14   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.05 +/- 1.66   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.8, residual support = 255.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.55 +/- 0.22  99.937% * 98.6651% (0.87  10.0 10.00   5.80 255.48) = 100.000%  kept
        T HB2   ARG+  54 - HG12  ILE  119  15.42 +/- 1.33   0.003% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.17 +/- 1.56   0.014% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  11.21 +/- 1.35   0.018% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.09 +/- 2.32   0.019% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.37 +/- 1.14   0.004% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.17 +/- 1.50   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  16.80 +/- 1.66   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.41 +/- 2.59   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.66 +/- 2.13   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.29 +/- 3.28   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  27.43 +/- 2.48   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 255.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.09 +/- 0.32  95.567% * 99.7168% (1.00  10.0 10.00   6.12 255.48) =  99.999%  kept
          QD1   LEU   67 - HG12  ILE  119   7.34 +/- 2.52   4.236% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  11.12 +/- 2.50   0.114% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  14.51 +/- 2.57   0.021% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.28 +/- 1.75   0.016% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.87 +/- 2.31   0.035% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  14.94 +/- 1.67   0.012% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 255.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.300% * 99.6771% (1.00  10.0 10.00   5.60 255.48) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   5.02 +/- 1.66   0.557% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.97 +/- 1.49   0.127% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.65 +/- 2.16   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.44 +/- 0.55   0.005% *  0.0308% (0.31   1.0  1.00   0.02   1.84) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.18 +/- 1.37   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.94 +/- 2.78   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  20.15 +/- 2.67   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.36, residual support = 255.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.977% * 99.8078% (0.97  10.0 10.00   5.36 255.48) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  10.16 +/- 1.46   0.018% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.83 +/- 2.95   0.004% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.86 +/- 1.86   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.33, residual support = 253.7:
    * O T HA    ILE  119 - HG13  ILE  119   2.69 +/- 0.44  98.492% * 50.8167% (1.00  10.0 10.00   6.34 255.48) =  99.179%  kept
        T HA    THR  118 - HG13  ILE  119   6.84 +/- 0.75   0.844% * 49.0416% (0.97   1.0 10.00   4.73  36.05) =   0.820%  kept
          HA2   GLY  109 - HG13  ILE  119  13.80 +/- 2.69   0.662% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  22.40 +/- 1.52   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  23.32 +/- 2.08   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.57 +/- 1.73   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.7, residual support = 255.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.86 +/- 0.25  99.914% * 99.2403% (0.87  10.0 10.00   5.70 255.48) = 100.000%  kept
          HB3   PRO   68 - HG13  ILE  119  13.57 +/- 1.58   0.014% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  12.11 +/- 1.46   0.021% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.32 +/- 1.57   0.013% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  13.00 +/- 2.12   0.021% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.96 +/- 1.23   0.004% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  15.81 +/- 1.93   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.29 +/- 2.21   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.57 +/- 2.82   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.77 +/- 2.40   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.35 +/- 3.35   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.83 +/- 2.53   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 255.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.57 +/- 0.30  97.241% * 99.7168% (1.00  10.0 10.00   6.01 255.48) =  99.999%  kept
          QD1   LEU   67 - HG13  ILE  119   6.88 +/- 2.77   2.714% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG13  ILE  119  11.21 +/- 2.58   0.028% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.07 +/- 2.08   0.005% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  15.09 +/- 2.26   0.004% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.42 +/- 1.86   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.27 +/- 1.91   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 0.07 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 255.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.990% * 99.4466% (1.00  10.0 10.00   5.60 255.48) = 100.000%  kept
          HB3   PHE   72 - HG13  ILE  119  11.48 +/- 2.36   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.62 +/- 1.90   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  10.43 +/- 2.41   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.21 +/- 2.13   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.79 +/- 1.61   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.10 +/- 2.32   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  22.34 +/- 1.31   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.85 +/- 2.55   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.44 +/- 1.66   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.61 +/- 2.48   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.26, residual support = 255.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.987% * 99.8078% (0.97  10.0 10.00   5.26 255.48) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  11.09 +/- 1.31   0.009% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  13.18 +/- 2.66   0.003% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  17.47 +/- 1.87   0.000% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.02, residual support = 254.3:
    *   T HA    ILE  119 - QD1   ILE  119   3.44 +/- 0.60  96.579% * 81.6954% (0.97 10.00   6.03 255.48) =  99.441%  kept
          HA    THR  118 - QD1   ILE  119   6.55 +/- 0.51   2.470% * 17.9479% (0.93  1.00   4.55  36.05) =   0.559%  kept
          HA2   GLY  109 - QD1   ILE  119  11.07 +/- 1.85   0.922% *  0.0593% (0.70  1.00   0.02   0.02) =   0.001%
        T HA    VAL   75 - QD1   ILE  119  15.69 +/- 1.60   0.016% *  0.1431% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.90 +/- 1.53   0.009% *  0.0810% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  19.42 +/- 1.65   0.004% *  0.0733% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 255.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.43 +/- 0.34  99.860% * 98.5836% (0.84  10.0 10.00   5.44 255.48) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.16 +/- 1.20   0.033% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.48 +/- 1.01   0.036% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.29 +/- 1.55   0.016% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  10.50 +/- 1.87   0.024% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  12.21 +/- 1.64   0.007% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.57 +/- 1.82   0.010% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.34 +/- 2.07   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.94 +/- 2.55   0.003% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.89 +/- 2.30   0.002% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.91 +/- 3.15   0.002% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.64 +/- 2.28   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 255.5:
    *   T QG2   ILE  119 - QD1   ILE  119   2.03 +/- 0.17  97.195% * 99.7168% (0.97 10.00   5.75 255.48) =  99.999%  kept
          QD1   LEU   67 - QD1   ILE  119   6.82 +/- 2.54   2.762% *  0.0197% (0.19  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD1   ILE  119  10.38 +/- 2.45   0.031% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.57 +/- 2.04   0.004% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.30 +/- 1.96   0.002% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.76 +/- 1.83   0.003% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.96 +/- 1.75   0.003% *  0.0277% (0.27  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 = 5.36, residual support = 255.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.922% * 99.4466% (0.97  10.0 10.00   5.36 255.48) = 100.000%  kept
          HB3   PHE   72 - QD1   ILE  119  10.28 +/- 2.27   0.027% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.98 +/- 1.83   0.024% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.62 +/- 2.23   0.022% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.30 +/- 1.71   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  14.31 +/- 1.89   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.50 +/- 2.06   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  18.31 +/- 1.23   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  22.24 +/- 2.36   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.80 +/- 1.53   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.84 +/- 2.03   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.26, residual support = 255.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  98.239% * 99.6771% (0.97  10.0 10.00   5.26 255.48) = 100.000%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.16 +/- 1.95   0.426% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   ILE  119   5.19 +/- 1.05   0.814% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.69 +/- 1.14   0.499% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.13 +/- 0.70   0.020% *  0.0308% (0.30   1.0  1.00   0.02   1.84) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.76 +/- 1.46   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  19.48 +/- 2.64   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  17.51 +/- 2.18   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 = 2.34, residual support = 14.0:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.01  99.678% * 99.2082% (0.95  10.0 10.00   2.34  14.04) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.22 +/- 0.82   0.224% *  0.1618% (0.15   1.0 10.00   0.02   1.67) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.26 +/- 4.20   0.067% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.83 +/- 1.34   0.015% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.03 +/- 0.68   0.010% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.55 +/- 1.91   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  15.67 +/- 4.17   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  15.09 +/- 4.36   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.54 +/- 1.97   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.69 +/- 2.34   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 14.0:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.01  96.522% * 99.3786% (0.95  10.0 10.00   2.34  14.04) =  99.998%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.05   2.653% *  0.0759% (0.72   1.0  1.00   0.02   1.67) =   0.002%
          QB    SER  117 - QB    ALA  120   4.80 +/- 0.28   0.821% *  0.0409% (0.39   1.0  1.00   0.02   5.76) =   0.000%
          HA    LYS+  65 - QB    ALA  120  13.22 +/- 1.58   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.39 +/- 2.02   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.96 +/- 0.75   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.70 +/- 1.72   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.73 +/- 1.13   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.57 +/- 1.67   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  25.08 +/- 1.37   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.966, support = 8.11, residual support = 310.8:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.08  61.259% * 91.1605% (1.00  10.0 10.00   8.24 316.35) =  96.363%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.27 +/- 0.53  36.830% *  5.7090% (0.06   1.0 10.00   4.75 163.31) =   3.628%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.54 +/- 0.82   1.853% *  0.2814% (0.31   1.0 10.00   0.02   2.28) =   0.009%
        T QD    LYS+ 102 - HA    LYS+ 121  15.79 +/- 3.37   0.006% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.45 +/- 1.43   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.94 +/- 2.95   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.23 +/- 1.69   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.23 +/- 1.78   0.004% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.91 +/- 2.59   0.009% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.53 +/- 0.62   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.51 +/- 1.24   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.82 +/- 1.01   0.010% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.52 +/- 1.58   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.42 +/- 0.62   0.018% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.45 +/- 2.29   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.15 +/- 1.86   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.02 +/- 2.62   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.66 +/- 2.02   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.75 +/- 1.85   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.36 +/- 2.31   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.4:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.45 +/- 0.41  99.820% * 99.6412% (1.00  10.0 10.00   7.27 316.35) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121   9.93 +/- 1.03   0.033% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.70 +/- 0.35   0.092% *  0.0308% (0.31   1.0  1.00   0.02   1.84) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  16.81 +/- 2.41   0.006% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  15.51 +/- 3.76   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  11.66 +/- 0.99   0.018% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  10.90 +/- 1.42   0.023% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.28 +/- 1.20   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.89 +/- 1.00   0.004% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.20 +/- 3.26   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.77 +/- 1.21   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.64 +/- 1.10   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.3:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.52 +/- 0.26  97.332% * 99.4380% (1.00  10.0 10.00   6.68 316.35) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.89 +/- 0.47   2.077% *  0.0484% (0.49   1.0  1.00   0.02   2.28) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  16.05 +/- 1.61   0.013% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.45 +/- 0.79   0.168% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.68 +/- 1.04   0.054% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  16.77 +/- 2.40   0.035% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  11.11 +/- 2.55   0.254% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.39 +/- 1.00   0.062% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.09 +/- 2.94   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.71 +/- 1.29   0.004% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.59, support = 7.73, residual support = 306.0:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.26  51.728% * 21.3664% (0.31  10.0 10.00   8.15 316.35) =  50.218%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.63 +/- 0.64  13.684% * 69.2258% (1.00   1.0 10.00   7.63 316.35) =  43.041%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.44  34.218% *  4.3065% (0.06  10.0 10.00   5.27 163.31) =   6.696%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.23 +/- 0.40   0.278% *  3.4792% (0.05   1.0 10.00   5.44  24.90) =   0.044%
        T QD    LYS+  66 - HA    LYS+ 121  10.61 +/- 2.48   0.046% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 1.71   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.70 +/- 3.89   0.021% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 2.73   0.003% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.09 +/- 3.30   0.005% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.93 +/- 1.23   0.004% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.90 +/- 1.33   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.56   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.90 +/- 1.87   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.66   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.61 +/- 1.54   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.74 +/- 1.81   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.10 +/- 0.97   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.62 +/- 1.14   0.003% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.56 +/- 2.08   0.001% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 2.00   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 = 0.986, support = 6.63, residual support = 294.4:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.94 +/- 1.00  86.671% * 58.6596% (1.00   6.72 316.35) =  91.736%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.09 +/- 0.36  11.148% * 41.0812% (0.84   5.64  50.75) =   8.263%  kept
          QE    LYS+ 121 - HA    LYS+  65  14.78 +/- 2.91   1.758% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  11.38 +/- 2.07   0.379% *  0.0091% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.39 +/- 2.39   0.003% *  0.1199% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  16.32 +/- 1.03   0.033% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.02 +/- 3.06   0.001% *  0.0782% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.27 +/- 2.06   0.001% *  0.0269% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.75 +/- 1.04   0.003% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.80 +/- 0.98   0.003% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 8.23, residual support = 316.3:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.08  96.201% * 99.1042% (1.00  10.0 10.00   8.24 316.35) =  99.997%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.61 +/- 0.26   2.008% *  0.0757% (0.76   1.0  1.00   0.02   1.67) =   0.002%
          QB    SER  117 - HB2   LYS+ 121   6.03 +/- 0.94   1.747% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.23 +/- 1.78   0.009% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.74 +/- 0.83   0.026% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.65 +/- 1.50   0.005% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.30 +/- 2.20   0.003% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.27 +/- 1.74   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.25 +/- 1.45   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  26.86 +/- 2.16   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 316.4:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.99 +/- 0.10  98.915% * 99.7211% (1.00  10.0 10.00   7.70 316.35) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   7.83 +/- 1.08   0.474% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.21 +/- 0.67   0.586% *  0.0308% (0.31   1.0  1.00   0.02   1.84) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  13.56 +/- 3.55   0.022% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.55 +/- 1.10   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.40 +/- 2.83   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 316.4:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.62 +/- 0.16  99.810% * 99.0974% (1.00  10.0 10.00   7.14 316.35) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.91 +/- 0.54   0.158% *  0.4824% (0.49   1.0 10.00   0.02   2.28) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.78 +/- 1.14   0.027% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.40 +/- 1.40   0.004% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  21.10 +/- 2.62   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.574, support = 8.51, residual support = 316.3:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  83.716% * 23.0703% (0.31  10.0 10.00   8.73 316.35) =  61.629%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.48 +/- 0.56  16.086% * 74.7463% (1.00  10.0 10.00   8.17 316.35) =  38.368%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.32 +/- 2.68   0.190% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.78 +/- 1.75   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.65 +/- 3.48   0.006% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.34 +/- 1.42   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.91 +/- 1.76   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  13.14 +/- 2.68   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.54 +/- 1.38   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.05 +/- 1.60   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 = 0.988, support = 7.09, residual support = 297.4:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.75 +/- 0.26  90.133% * 58.5845% (1.00   7.17 316.35) =  92.854%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.62 +/- 0.54   9.862% * 41.2048% (0.84   6.04  50.75) =   7.146%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.47 +/- 2.07   0.002% *  0.1122% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.95 +/- 2.74   0.001% *  0.0732% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.68 +/- 2.12   0.001% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.4:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.45 +/- 0.41  99.357% * 99.1042% (1.00  10.0 10.00   7.27 316.35) =  99.999%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.82 +/- 0.27   0.435% *  0.0757% (0.76   1.0  1.00   0.02   1.67) =   0.000%
          QB    SER  117 - HG2   LYS+ 121   7.41 +/- 0.91   0.192% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  16.81 +/- 2.41   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.16 +/- 1.15   0.008% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.60 +/- 1.61   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.48 +/- 2.63   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  25.79 +/- 1.80   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.36 +/- 1.51   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  28.42 +/- 2.48   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 316.4:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.99 +/- 0.10  99.519% * 99.4783% (1.00  10.0 10.00   7.70 316.35) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.60 +/- 0.81   0.438% *  0.0307% (0.31   1.0  1.00   0.02   2.28) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.43 +/- 3.69   0.023% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.06 +/- 2.18   0.006% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  18.07 +/- 2.56   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.90 +/- 0.99   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  17.23 +/- 2.05   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.33 +/- 1.44   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.29 +/- 2.37   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  27.20 +/- 2.77   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.4:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.991% * 99.3314% (1.00  10.0 10.00   6.31 316.35) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.51 +/- 0.54   0.008% *  0.0483% (0.49   1.0  1.00   0.02   2.28) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  15.64 +/- 1.38   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.92 +/- 1.06   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.09 +/- 2.69   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 7.32, residual support = 316.3:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.80 +/- 0.24  42.589% * 75.5250% (1.00  10.0 10.00   7.19 316.35) =  70.749%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.67 +/- 0.16  57.044% * 23.3106% (0.31  10.0 10.00   7.62 316.35) =  29.248%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  11.55 +/- 3.08   0.272% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HG2   LYS+ 121  10.31 +/- 3.90   0.084% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  15.01 +/- 1.94   0.002% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  13.45 +/- 2.83   0.007% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.65 +/- 2.31   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.79 +/- 1.26   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.42 +/- 1.41   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.28 +/- 1.74   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.3:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.59 +/- 0.43  98.492% * 99.7880% (1.00  10.0   6.31 316.35) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.67 +/- 1.23   1.507% *  0.0833% (0.84   1.0   0.02  50.75) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  23.78 +/- 2.11   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.99 +/- 2.90   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.92 +/- 2.06   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.3:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.52 +/- 0.26  95.173% * 98.4706% (1.00  10.0 10.00   6.68 316.35) =  99.996%  kept
          QB    SER  117 - HG3   LYS+ 121   6.94 +/- 1.01   2.447% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.59 +/- 0.22   1.007% *  0.0753% (0.76   1.0  1.00   0.02   1.67) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.45 +/- 0.79   0.165% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  16.77 +/- 2.40   0.034% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.89 +/- 1.67   0.202% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   8.94 +/- 0.97   0.500% *  0.0093% (0.09   1.0  1.00   0.02   2.05) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.09 +/- 1.26   0.315% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.05 +/- 1.61   0.013% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.30 +/- 1.72   0.012% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.53 +/- 0.93   0.037% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.12 +/- 1.35   0.030% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.43 +/- 1.13   0.016% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.13 +/- 2.19   0.016% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.42 +/- 2.70   0.009% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.50 +/- 1.84   0.017% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.46 +/- 1.36   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.47 +/- 1.57   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  24.94 +/- 1.56   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  27.28 +/- 2.43   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 316.4:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.16  98.954% * 98.6953% (1.00  10.0 10.00   7.14 316.35) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.63 +/- 0.78   0.096% *  0.3046% (0.31   1.0 10.00   0.02   2.28) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   6.75 +/- 1.06   0.821% *  0.0204% (0.21   1.0  1.00   0.02  40.97) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.40 +/- 1.40   0.004% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  10.57 +/- 1.05   0.029% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.65 +/- 2.25   0.023% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.83 +/- 3.40   0.012% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.95 +/- 0.76   0.013% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.00 +/- 2.12   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.45 +/- 1.14   0.018% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.85 +/- 2.13   0.001% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.54 +/- 0.89   0.006% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.57 +/- 1.71   0.009% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.26 +/- 2.17   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.42 +/- 0.83   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.24 +/- 2.25   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.50 +/- 1.53   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.70 +/- 2.72   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  26.00 +/- 2.67   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.62 +/- 2.26   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.4:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.907% * 98.9593% (1.00  10.0 10.00   6.31 316.35) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.56 +/- 0.81   0.020% *  0.0938% (0.09   1.0 10.00   0.02   3.36) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.27 +/- 0.45   0.053% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   8.86 +/- 1.16   0.009% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.56 +/- 0.64   0.004% *  0.0305% (0.31   1.0  1.00   0.02   1.84) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  15.64 +/- 1.38   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.85 +/- 3.81   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.04 +/- 1.19   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.11 +/- 1.37   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.27 +/- 2.68   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.00 +/- 1.84   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.55 +/- 1.16   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.694, support = 6.75, residual support = 316.3:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.84 +/- 0.12  27.207% * 75.1260% (1.00  10.0 10.00   6.60 316.35) =  55.746%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.41 +/- 0.18  69.935% * 23.1874% (0.31  10.0 10.00   6.95 316.35) =  44.227%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  11.79 +/- 3.18   1.574% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.026%
          QG2   THR   26 - QD2   LEU   73   5.66 +/- 0.80   0.612% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU   73   5.92 +/- 0.63   0.397% *  0.0196% (0.26   1.0  1.00   0.02  40.97) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.86 +/- 0.81   0.078% *  0.0507% (0.07   1.0 10.00   0.02  40.97) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   9.68 +/- 3.59   0.095% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.62 +/- 0.60   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.78 +/- 1.77   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.36 +/- 1.07   0.014% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.03 +/- 0.83   0.065% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.73 +/- 1.65   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  13.09 +/- 2.32   0.004% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  17.48 +/- 2.25   0.001% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.77 +/- 1.08   0.006% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  14.05 +/- 2.06   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.97 +/- 1.31   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.62 +/- 1.43   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.63 +/- 1.60   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.38 +/- 2.19   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 316.3:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.69 +/- 0.54  85.110% * 99.6820% (1.00  10.0   6.00 316.35) =  99.996%  kept
          HG2   GLN   30 - QD2   LEU   73   4.54 +/- 1.47  14.337% *  0.0233% (0.23   1.0   0.02   4.89) =   0.004%
          HB3   HIS  122 - HG3   LYS+ 121   7.08 +/- 0.91   0.440% *  0.0833% (0.84   1.0   0.02  50.75) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.58 +/- 2.81   0.036% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.54 +/- 0.94   0.056% *  0.0152% (0.15   1.0   0.02   0.85) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  13.50 +/- 1.96   0.014% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.63 +/- 1.05   0.005% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.03 +/- 1.91   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.02 +/- 2.70   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.88 +/- 2.21   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.992, support = 7.51, residual support = 305.4:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.63 +/- 0.64  75.044% * 56.2480% (1.00 10.00   7.63 316.35) =  96.513%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.22 +/- 0.82   3.533% * 42.9863% (0.76 10.00   4.31   1.67) =   3.472%  kept
          QB    SER  117 - HD2   LYS+ 121   6.20 +/- 1.82   9.319% *  0.0470% (0.84  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - QD    LYS+  66   6.23 +/- 0.40   3.984% *  0.0239% (0.04 10.00   0.02  24.90) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  66  10.61 +/- 2.48   1.144% *  0.0699% (0.12 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  66   7.97 +/- 2.46   3.435% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  15.58 +/- 2.73   0.093% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.64 +/- 1.31   1.704% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.11 +/- 2.19   0.417% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.40 +/- 1.66   0.140% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.93 +/- 1.23   0.068% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  11.53 +/- 1.71   0.244% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.97 +/- 1.24   0.133% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.23 +/- 1.71   0.016% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.97 +/- 0.97   0.295% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.64 +/- 0.60   0.314% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  18.58 +/- 3.08   0.017% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.78 +/- 1.55   0.038% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.90 +/- 1.33   0.003% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  23.84 +/- 2.14   0.002% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.74 +/- 1.90   0.002% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.21 +/- 1.25   0.021% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.44 +/- 1.28   0.009% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.34 +/- 1.69   0.007% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.01 +/- 1.14   0.010% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.52 +/- 1.70   0.004% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.91 +/- 1.33   0.003% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  20.92 +/- 1.48   0.003% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  27.29 +/- 2.25   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  26.85 +/- 1.14   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 = 0.702, support = 6.57, residual support = 274.0:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.48 +/- 0.56  16.069% * 87.6744% (1.00  10.0 10.00   8.17 316.35) =  67.060%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  83.426% *  8.2944% (0.09  10.0  1.00   3.34 187.88) =  32.938%  kept
        T HB2   LYS+ 121 - QD    LYS+  66  10.32 +/- 2.68   0.190% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QD    LYS+  66   6.72 +/- 0.77   0.035% *  0.1088% (0.12   1.0 10.00   0.02  24.90) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.05 +/- 1.78   0.204% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.49 +/- 1.04   0.019% *  0.0271% (0.31   1.0  1.00   0.02   2.28) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  15.79 +/- 2.42   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  15.19 +/- 3.56   0.001% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.11 +/- 1.65   0.002% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.82 +/- 2.47   0.041% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.64 +/- 2.62   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.74 +/- 2.18   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74   9.97 +/- 2.02   0.010% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.71 +/- 1.81   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.54 +/- 1.38   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.39 +/- 1.54   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.65 +/- 1.56   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.26 +/- 1.38   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.48 +/- 2.57   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.30 +/- 0.79   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  19.56 +/- 3.30   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.51 +/- 2.03   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.30 +/- 0.72   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  18.79 +/- 1.99   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.83 +/- 1.47   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.13 +/- 0.96   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  25.94 +/- 2.74   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.32 +/- 1.88   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.78 +/- 2.05   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.95 +/- 1.93   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 = 7.19, residual support = 316.3:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.80 +/- 0.24  92.202% * 99.3656% (1.00  10.0 10.00   7.19 316.35) =  99.998%  kept
        T HG2   LYS+ 121 - QD    LYS+  66  11.55 +/- 3.08   0.738% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HD2   LYS+ 121   8.39 +/- 1.38   0.519% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD3   LYS+  74   6.35 +/- 1.05   1.455% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   7.10 +/- 2.04   4.688% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.00 +/- 1.32   0.293% *  0.0307% (0.31   1.0  1.00   0.02   1.84) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  13.95 +/- 3.50   0.014% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.29 +/- 1.33   0.031% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.16 +/- 1.45   0.037% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.79 +/- 1.26   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  19.94 +/- 1.75   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.90 +/- 0.88   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.10 +/- 1.72   0.009% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.76 +/- 2.86   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.92 +/- 1.88   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.18 +/- 0.74   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.74 +/- 1.88   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.53 +/- 1.29   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 316.3:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.84 +/- 0.12  86.622% * 99.1222% (1.00  10.0 10.00   6.60 316.35) =  99.994%  kept
        T HG3   LYS+ 121 - QD    LYS+  66  11.79 +/- 3.18   3.148% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  123 - QD    LYS+  66   6.10 +/- 2.55   9.154% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.86 +/- 0.81   0.268% *  0.0527% (0.05   1.0 10.00   0.02  40.97) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.29 +/- 0.79   0.176% *  0.0482% (0.49   1.0  1.00   0.02   2.28) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.15 +/- 2.12   0.538% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.78 +/- 1.77   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.34 +/- 1.29   0.025% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.62 +/- 0.60   0.012% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.48 +/- 1.15   0.044% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.97 +/- 1.31   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.52 +/- 2.00   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  21.51 +/- 2.59   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.20 +/- 0.65   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.95 +/- 1.42   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 6.54, residual support = 314.1:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.11  92.033% * 82.8582% (1.00  10.0  1.00   6.56 316.35) =  99.148%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.18 +/- 1.88   4.015% * 16.3066% (0.84   1.0  1.00   4.71  50.75) =   0.851%  kept
          QE    LYS+ 121 - QD    LYS+  66  10.46 +/- 3.07   2.580% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   7.64 +/- 2.94   1.355% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.52 +/- 1.04   0.004% *  0.0888% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  22.88 +/- 2.44   0.000% *  0.5692% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.19 +/- 1.40   0.010% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.28 +/- 0.88   0.000% *  0.0708% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.95 +/- 1.97   0.001% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.04 +/- 1.60   0.000% *  0.0129% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.57 +/- 0.82   0.000% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  26.34 +/- 2.78   0.000% *  0.0371% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  28.21 +/- 2.25   0.000% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  25.04 +/- 0.99   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.70 +/- 1.26   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 71.8:
    * O T HB2   HIS  122 - HA    HIS  122   2.44 +/- 0.21  99.998% * 99.8210% (1.00  10.0 10.00   3.44  71.79) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.64 +/- 0.68   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.43 +/- 1.49   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 3.42, residual support = 71.3:
    * O T HB3   HIS  122 - HA    HIS  122   2.76 +/- 0.25  86.199% * 87.6593% (1.00  10.0 10.00   3.42  71.79) =  97.810%  kept
          QE    LYS+ 121 - HA    HIS  122   5.45 +/- 1.93  13.800% * 12.2594% (0.84   1.0  1.00   3.35  50.75) =   2.190%  kept
          HG2   GLN   30 - HA    HIS  122  21.47 +/- 3.34   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.79 +/- 4.18   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  29.10 +/- 2.05   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 71.8:
    * O T HA    HIS  122 - HB2   HIS  122   2.44 +/- 0.21  99.981% * 99.8702% (1.00  10.0 10.00   3.44  71.79) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  13.24 +/- 4.91   0.018% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.88 +/- 2.16   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.47 +/- 1.31   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 71.8:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  97.370% * 99.8240% (1.00  10.0 10.00   3.99  71.79) =  99.998%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.58 +/- 2.26   2.630% *  0.0834% (0.84   1.0  1.00   0.02  50.75) =   0.002%
          HG2   GLN   30 - HB2   HIS  122  19.77 +/- 3.72   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.41 +/- 4.53   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.20 +/- 2.06   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 71.8:
    * O T HA    HIS  122 - HB3   HIS  122   2.76 +/- 0.25  99.966% * 99.8702% (1.00  10.0 10.00   3.42  71.79) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.81 +/- 4.83   0.031% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.82 +/- 2.35   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.20 +/- 1.94   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 71.8:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.99  71.79) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.19 +/- 0.97   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.36 +/- 1.84   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 201.3:
    * O T HB2   LEU  123 - HA    LEU  123   2.80 +/- 0.28  99.696% * 98.5720% (1.00  10.0 10.00   6.00 201.29) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  13.90 +/- 5.25   0.040% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.78 +/- 0.20   0.237% *  0.0304% (0.31   1.0  1.00   0.02   2.28) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.84 +/- 2.50   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.96 +/- 1.72   0.015% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  19.43 +/- 4.14   0.002% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.81 +/- 4.81   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.18 +/- 3.85   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.83 +/- 2.14   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.89 +/- 1.26   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.11 +/- 1.67   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  29.38 +/- 3.29   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 201.3:
    * O T HB3   LEU  123 - HA    LEU  123   2.65 +/- 0.20  99.995% * 99.6484% (1.00  10.0 10.00   5.45 201.29) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.38 +/- 0.91   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  22.36 +/- 4.20   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.87 +/- 2.60   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.67 +/- 1.15   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.32 +/- 1.59   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 201.3:
    * O T HG    LEU  123 - HA    LEU  123   3.61 +/- 0.54  84.965% * 98.6685% (0.69  10.0 10.00   5.42 201.29) =  99.990%  kept
          HG3   PRO   68 - HA    LEU  123  11.00 +/- 3.73   4.736% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU  123   6.82 +/- 2.61  10.126% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    LEU  123  12.70 +/- 4.08   0.103% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.66 +/- 1.72   0.013% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.17 +/- 2.31   0.023% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  20.05 +/- 4.38   0.005% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  19.13 +/- 4.93   0.012% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  22.01 +/- 4.96   0.004% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  20.14 +/- 4.80   0.006% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  22.41 +/- 2.04   0.003% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.44 +/- 1.70   0.002% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  30.31 +/- 2.05   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.84 +/- 1.71   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 201.3:
    *   T QD1   LEU  123 - HA    LEU  123   2.59 +/- 0.73  89.538% * 99.6081% (1.00 10.00   6.04 201.29) =  99.989%  kept
          QG1   VAL   70 - HA    LEU  123   8.45 +/- 4.27  10.276% *  0.0919% (0.92  1.00   0.02   0.02) =   0.011%
          HB3   LEU   63 - HA    LEU  123  10.36 +/- 2.54   0.130% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.00 +/- 4.84   0.028% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  15.19 +/- 3.95   0.022% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.50 +/- 2.33   0.007% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 1 structures by 0.26 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 201.3:
    *   T QD2   LEU  123 - HA    LEU  123   2.75 +/- 0.32  99.889% * 99.9316% (1.00 10.00   4.75 201.29) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.35 +/- 0.45   0.085% *  0.0486% (0.49  1.00   0.02   2.28) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.00 +/- 4.84   0.026% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 201.3:
    * O T HA    LEU  123 - HB2   LEU  123   2.80 +/- 0.28  99.967% * 98.7431% (1.00  10.0 10.00   6.00 201.29) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  18.30 +/- 5.01   0.004% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  13.06 +/- 0.88   0.013% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.77 +/- 1.37   0.005% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  18.05 +/- 4.76   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.89 +/- 1.19   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  20.05 +/- 3.68   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  25.55 +/- 4.94   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.84 +/- 4.00   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.32, residual support = 201.3:
    * O T HG    LEU  123 - HB2   LEU  123   2.43 +/- 0.24  99.526% * 97.8726% (0.69  10.0 10.00   5.32 201.29) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  12.80 +/- 3.63   0.122% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.72 +/- 2.41   0.322% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  12.30 +/- 3.70   0.023% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.87 +/- 1.95   0.003% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  20.16 +/- 4.11   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  20.03 +/- 3.79   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.36 +/- 4.14   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.13 +/- 1.88   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  23.51 +/- 4.29   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  21.67 +/- 2.39   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.20 +/- 1.59   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  30.50 +/- 1.78   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  30.66 +/- 1.85   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 201.3:
    * O T QD1   LEU  123 - HB2   LEU  123   2.78 +/- 0.26  99.282% * 99.6081% (1.00  10.0 10.00   5.93 201.29) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU  123   9.85 +/- 3.74   0.575% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  11.03 +/- 2.51   0.120% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  14.04 +/- 4.36   0.015% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  16.56 +/- 3.42   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.46 +/- 2.17   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 201.3:
    * O T QD2   LEU  123 - HB2   LEU  123   2.81 +/- 0.42  99.761% * 99.4960% (1.00  10.0 10.00   4.75 201.29) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.63 +/- 0.78   0.214% *  0.4843% (0.49   1.0 10.00   0.02   2.28) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  14.04 +/- 4.36   0.025% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 201.3:
    * O T HA    LEU  123 - HG    LEU  123   3.61 +/- 0.54  99.781% * 99.5102% (0.69  10.0 10.00   5.42 201.29) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.30 +/- 1.29   0.101% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.85 +/- 1.84   0.035% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.98 +/- 1.95   0.043% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  19.01 +/- 4.87   0.015% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  18.68 +/- 4.71   0.016% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  20.10 +/- 3.39   0.006% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  26.18 +/- 4.89   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  25.92 +/- 3.75   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.32, residual support = 201.3:
    * O T HB2   LEU  123 - HG    LEU  123   2.43 +/- 0.24  99.864% * 96.6014% (0.69  10.0 10.00   5.32 201.29) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.61 +/- 0.44   0.118% *  0.0298% (0.21   1.0  1.00   0.02   2.28) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  13.69 +/- 1.74   0.005% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.72 +/- 1.19   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.37 +/- 3.40   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  19.85 +/- 2.45   0.000% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  15.52 +/- 4.55   0.008% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.61 +/- 1.92   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.78 +/- 4.12   0.001% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.26 +/- 3.10   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  22.07 +/- 1.83   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  29.71 +/- 2.47   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.1, residual support = 201.3:
    * O T HB3   LEU  123 - HG    LEU  123   2.62 +/- 0.18  99.993% * 97.8109% (0.69  10.0 10.00   5.10 201.29) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.56 +/- 1.13   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.70 +/- 1.40   0.005% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  24.21 +/- 3.42   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  23.04 +/- 1.75   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  20.21 +/- 2.27   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 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 = 201.3:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.865% * 99.6081% (0.69  10.0 10.00   5.61 201.29) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  10.21 +/- 3.63   0.112% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.86 +/- 2.30   0.019% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.82 +/- 4.10   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.83 +/- 3.15   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.18 +/- 2.06   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 = 201.3:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.984% * 99.9316% (0.69  10.0 10.00   4.44 201.29) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.44 +/- 0.49   0.014% *  0.0486% (0.33   1.0  1.00   0.02   2.28) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.82 +/- 4.10   0.002% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 201.3:
    *   T HA    LEU  123 - QD1   LEU  123   2.59 +/- 0.73  99.805% * 99.5102% (1.00 10.00   6.04 201.29) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.60 +/- 0.91   0.066% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  12.05 +/- 1.79   0.022% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  15.01 +/- 4.05   0.023% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  11.06 +/- 2.24   0.043% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  14.67 +/- 3.82   0.027% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.68 +/- 2.61   0.010% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.90 +/- 3.93   0.002% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.55 +/- 2.84   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 201.3:
    * O T HB2   LEU  123 - QD1   LEU  123   2.78 +/- 0.26  98.531% * 99.3293% (1.00  10.0 10.00   5.93 201.29) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.89 +/- 0.44   1.305% *  0.0307% (0.31   1.0  1.00   0.02   2.28) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  12.29 +/- 3.73   0.057% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.63 +/- 2.00   0.067% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.60 +/- 1.84   0.019% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.86 +/- 1.01   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.46 +/- 3.13   0.004% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  16.16 +/- 2.18   0.004% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.75 +/- 2.54   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.40 +/- 3.29   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  18.10 +/- 1.70   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  24.02 +/- 2.12   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 0.13 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 201.3:
    * O T HB3   LEU  123 - QD1   LEU  123   2.86 +/- 0.40  99.950% * 99.6484% (1.00  10.0 10.00   5.71 201.29) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.83 +/- 1.56   0.034% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.56 +/- 0.84   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  16.04 +/- 2.24   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  19.26 +/- 2.85   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.89 +/- 1.57   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 201.3:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  90.354% * 98.8924% (0.69  10.0 10.00   5.61 201.29) =  99.997%  kept
          QB    LYS+  66 - QD1   LEU  123   5.45 +/- 2.54   8.759% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QD1   LEU  123  10.00 +/- 2.87   0.859% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123  10.21 +/- 2.99   0.016% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.09 +/- 1.62   0.003% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.41 +/- 2.16   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.60 +/- 3.20   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.20 +/- 2.05   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.72 +/- 3.47   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.32 +/- 3.33   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  18.20 +/- 1.72   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.96 +/- 3.34   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.70 +/- 1.83   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  24.67 +/- 1.59   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 201.3:
    * O T QD2   LEU  123 - QD1   LEU  123   2.07 +/- 0.07  99.938% * 99.7540% (1.00  10.0 10.00   4.91 201.29) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.42 +/- 0.67   0.054% *  0.0486% (0.49   1.0  1.00   0.02   2.28) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  11.80 +/- 3.56   0.008% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 201.3:
    *   T HA    LEU  123 - QD2   LEU  123   2.75 +/- 0.32  99.917% * 99.5102% (1.00 10.00   4.75 201.29) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  13.25 +/- 1.59   0.013% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.64 +/- 1.00   0.023% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  12.01 +/- 1.71   0.021% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  16.61 +/- 4.63   0.008% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  16.17 +/- 4.51   0.011% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.53 +/- 3.44   0.005% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.29 +/- 4.72   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.09 +/- 3.82   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 201.3:
    * O T HB2   LEU  123 - QD2   LEU  123   2.81 +/- 0.42  99.511% * 99.0560% (1.00  10.0 10.00   4.75 201.29) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.91 +/- 0.54   0.344% *  0.3057% (0.31   1.0 10.00   0.02   2.28) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  13.59 +/- 4.28   0.056% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU  123  11.15 +/- 1.72   0.059% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.38 +/- 1.78   0.010% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.92 +/- 3.26   0.004% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.24 +/- 0.97   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.70 +/- 2.03   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.34 +/- 3.08   0.004% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.46 +/- 4.01   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.73 +/- 1.59   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.72 +/- 2.50   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 201.3:
    * O T HB3   LEU  123 - QD2   LEU  123   2.50 +/- 0.44  99.985% * 99.6484% (1.00  10.0 10.00   4.42 201.29) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.71 +/- 1.27   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.97 +/- 0.81   0.002% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.47 +/- 2.27   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.35 +/- 3.54   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.92 +/- 1.58   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 201.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.02  98.054% * 98.6685% (0.69  10.0 10.00   4.44 201.29) =  99.999%  kept
          HG3   PRO   68 - QD2   LEU  123  10.33 +/- 3.63   0.787% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123   6.33 +/- 2.50   1.146% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.16 +/- 3.12   0.007% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.83 +/- 2.14   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.86 +/- 1.71   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.48 +/- 3.34   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.08 +/- 4.11   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.56 +/- 2.08   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  18.00 +/- 3.89   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  19.27 +/- 1.66   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.61 +/- 3.67   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  26.32 +/- 1.85   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.07 +/- 1.73   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 201.3:
    * O T QD1   LEU  123 - QD2   LEU  123   2.07 +/- 0.07  98.919% * 99.6081% (1.00  10.0 10.00   4.91 201.29) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU  123   8.74 +/- 3.58   0.989% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123   9.68 +/- 2.45   0.085% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.28 +/- 3.22   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  13.58 +/- 3.76   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  13.75 +/- 1.98   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 = 9.19:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  99.783% * 97.4620% (1.00  10.0 10.00   1.00   9.19) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.58 +/- 0.22   0.050% *  0.0730% (0.07   1.0 10.00   0.02   4.77) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.54 +/- 0.32   0.126% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.62 +/- 1.16   0.009% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.79 +/- 1.90   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.28 +/- 5.34   0.001% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  17.28 +/- 6.65   0.003% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.41 +/- 1.22   0.016% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.19 +/- 5.01   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.14 +/- 5.28   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  28.19 +/- 2.05   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  20.07 +/- 2.08   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.75 +/- 2.22   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.77 +/- 0.75   0.007% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.77 +/- 3.22   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.23 +/- 0.89   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.32 +/- 2.29   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.72 +/- 6.06   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  17.18 +/- 1.20   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  21.42 +/- 4.93   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.13 +/- 1.57   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.56 +/- 1.41   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.57 +/- 1.37   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  19.82 +/- 3.15   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.23 +/- 3.42   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.59 +/- 1.12   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.02 +/- 1.55   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  32.51 +/- 3.28   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.43 +/- 2.65   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.87 +/- 1.27   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.19:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.19) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  19.28 +/- 5.34   0.001% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  13.91 +/- 0.57   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.67 +/- 4.28   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  23.19 +/- 5.68   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.67 +/- 1.34   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  19.77 +/- 4.72   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  29.93 +/- 2.14   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 201.3:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.33 201.29) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  19.09 +/- 1.23   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.61 +/- 2.21   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  23.93 +/- 3.65   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.48 +/- 0.77   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  24.01 +/- 1.58   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 = 5.33, residual support = 201.3:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.977% * 96.4170% (0.99  10.0 10.00   5.33 201.29) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.65 +/- 0.93   0.021% *  0.0365% (0.38   1.0  1.00   0.02   2.28) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  14.21 +/- 1.78   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  20.11 +/- 3.96   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.87 +/- 1.50   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  21.34 +/- 4.56   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  15.12 +/- 5.07   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  15.93 +/- 2.44   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.91 +/- 2.26   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.71 +/- 3.72   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  30.39 +/- 3.14   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.08 +/- 1.62   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 201.3:
    * O T QD1   LEU  123 - HB3   LEU  123   2.86 +/- 0.40  99.462% * 99.6081% (1.00  10.0 10.00   5.71 201.29) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.15 +/- 4.08   0.458% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.50 +/- 2.81   0.051% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.60 +/- 4.82   0.017% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  16.83 +/- 3.72   0.009% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.75 +/- 2.37   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 201.3:
    * O T QD2   LEU  123 - HB3   LEU  123   2.50 +/- 0.44  99.877% * 99.9316% (1.00  10.0 10.00   4.42 201.29) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.28 +/- 0.76   0.104% *  0.0486% (0.49   1.0  1.00   0.02   2.28) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.60 +/- 4.82   0.019% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.1, residual support = 201.2:
    * O T HG    LEU  123 - HB3   LEU  123   2.62 +/- 0.18  96.312% * 95.7694% (0.69  10.0 10.00   5.10 201.29) =  99.957%  kept
        T HG3   PRO   68 - HB3   LEU  123  12.93 +/- 4.01   3.040% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.042%
          QB    LYS+  66 - HB3   LEU  123   7.98 +/- 2.67   0.624% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.94 +/- 4.13   0.016% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  23.81 +/- 4.70   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.50 +/- 1.71   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.44 +/- 2.24   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  20.64 +/- 4.21   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.57 +/- 1.87   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.15 +/- 2.52   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.95 +/- 4.53   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  20.65 +/- 4.61   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.07 +/- 1.77   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  31.09 +/- 2.06   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 201.3:
    * O T HA    LEU  123 - HB3   LEU  123   2.65 +/- 0.20  99.979% * 99.5102% (1.00  10.0 10.00   5.45 201.29) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.56 +/- 1.06   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.14 +/- 1.38   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  18.76 +/- 5.49   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  18.46 +/- 5.27   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.11 +/- 1.40   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.23 +/- 4.00   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  25.94 +/- 5.44   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.95 +/- 4.20   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 5.61, residual support = 316.4:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  96.862% * 76.1572% (1.00  10.0   5.59 316.35) =  99.036%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.72 +/- 0.59   3.054% * 23.5057% (0.31  10.0   6.97 316.35) =   0.964%  kept
          QD    LYS+  66 - HD3   LYS+ 121  11.39 +/- 2.90   0.024% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 121  10.59 +/- 3.91   0.058% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  16.92 +/- 2.43   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.58 +/- 3.08   0.002% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  13.49 +/- 2.51   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.40 +/- 1.71   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.70 +/- 2.17   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.63 +/- 1.66   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 316.4:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.71 +/- 0.28  99.608% * 99.7211% (1.00  10.0   6.28 316.35) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.62 +/- 1.56   0.206% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.87 +/- 1.12   0.160% *  0.0308% (0.31   1.0   0.02   1.84) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  13.66 +/- 3.82   0.025% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.36 +/- 1.68   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.82 +/- 2.96   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 316.4:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.62 +/- 0.34  99.868% * 98.9917% (1.00  10.0 10.00   5.98 316.35) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.79 +/- 1.22   0.017% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   8.93 +/- 0.71   0.110% *  0.0482% (0.49   1.0  1.00   0.02   2.28) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.09 +/- 1.83   0.004% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.62 +/- 2.74   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 316.4:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.08 +/- 0.32  99.308% * 99.2313% (1.00  10.0  1.00   7.07 316.35) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.21 +/- 1.05   0.609% *  0.0306% (0.31   1.0  1.00   0.02   2.28) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.84 +/- 2.69   0.009% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  14.79 +/- 3.76   0.038% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.45 +/- 2.38   0.019% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  18.56 +/- 2.64   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.82 +/- 1.10   0.006% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  17.87 +/- 2.73   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.23 +/- 1.68   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  26.11 +/- 3.31   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.89, residual support = 314.9:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.44 +/- 0.11  96.662% * 86.1920% (1.00  10.0   5.90 316.35) =  99.454%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.78 +/- 1.93   3.337% * 13.6969% (0.84   1.0   3.81  50.75) =   0.546%  kept
          HG2   GLN   30 - HD3   LYS+ 121  23.19 +/- 2.47   0.000% *  0.0592% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.44 +/- 2.90   0.000% *  0.0386% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.60 +/- 2.27   0.000% *  0.0133% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 316.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.98 +/- 0.73  80.259% * 99.1042% (1.00 10.00   6.63 316.35) =  99.980%  kept
          QB    SER  117 - HD3   LYS+ 121   6.42 +/- 2.05  16.240% *  0.0828% (0.84  1.00   0.02   0.02) =   0.017%
          HA    ALA  120 - HD3   LYS+ 121   7.06 +/- 0.85   3.165% *  0.0757% (0.76  1.00   0.02   1.67) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  16.30 +/- 2.63   0.086% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.09 +/- 1.55   0.178% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.37 +/- 1.80   0.037% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  19.15 +/- 3.18   0.028% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.13 +/- 1.79   0.003% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.36 +/- 1.92   0.003% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  27.35 +/- 2.92   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.62, residual support = 316.4:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.67 +/- 0.16  99.717% * 99.7211% (0.84  10.0 10.00   7.62 316.35) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.44 +/- 1.02   0.137% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.22 +/- 0.32   0.132% *  0.0308% (0.26   1.0  1.00   0.02   1.84) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  13.40 +/- 3.74   0.013% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.08 +/- 1.23   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.43 +/- 3.12   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 6.95, residual support = 316.4:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.41 +/- 0.18  99.892% * 99.5295% (0.84  10.0 10.00   6.95 316.35) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.23 +/- 0.57   0.095% *  0.0484% (0.41   1.0  1.00   0.02   2.28) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.73 +/- 1.65   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.58 +/- 1.04   0.010% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.24 +/- 2.88   0.000% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.73, residual support = 316.4:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.976% * 97.1314% (0.84  10.0 10.00   8.73 316.35) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.29 +/- 0.70   0.023% *  0.0300% (0.26   1.0  1.00   0.02   2.28) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.52 +/- 3.00   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.17 +/- 1.59   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  18.21 +/- 2.44   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.90 +/- 1.95   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.64 +/- 0.50   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.87 +/- 1.73   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.67 +/- 2.20   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  25.87 +/- 2.76   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 = 0.824, support = 6.85, residual support = 295.5:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.07 +/- 0.32  87.906% * 60.9040% (0.84  1.00   6.99 316.35) =  92.138%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.06 +/- 0.96  12.088% * 37.7936% (0.70  1.00   5.19  50.75) =   7.862%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.80 +/- 2.28   0.003% *  1.1973% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  26.12 +/- 3.04   0.002% *  0.0781% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.40 +/- 2.29   0.001% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.15, residual support = 316.4:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.59 +/- 0.26  98.840% * 99.1042% (0.84  10.0 10.00   8.15 316.35) =  99.999%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.15 +/- 0.28   0.674% *  0.0757% (0.64   1.0  1.00   0.02   1.67) =   0.001%
          QB    SER  117 - HB3   LYS+ 121   6.47 +/- 0.77   0.468% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  15.90 +/- 1.87   0.003% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.61 +/- 0.95   0.011% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.16 +/- 1.60   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.80 +/- 2.24   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  23.98 +/- 1.51   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.16 +/- 1.49   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  27.26 +/- 2.41   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.811, support = 8.66, residual support = 316.3:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  83.716% * 55.3563% (0.84  10.0 10.00   8.73 316.35) =  87.044%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.48 +/- 0.56  16.086% * 42.8727% (0.65  10.0 10.00   8.17 316.35) =  12.954%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.32 +/- 2.68   0.190% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HB2   LYS+ 121  10.65 +/- 3.48   0.006% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.78 +/- 1.75   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.91 +/- 1.76   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.54 +/- 1.38   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.34 +/- 1.42   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.05 +/- 1.60   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 = 0.785, support = 7.99, residual support = 312.8:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.26  51.731% * 52.0655% (0.84  10.0 10.00   8.15 316.35) =  81.075%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.63 +/- 0.64  13.685% * 40.3240% (0.65   1.0 10.00   7.63 316.35) =  16.611%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.44  34.220% *  2.2150% (0.04  10.0 10.00   5.27 163.31) =   2.282%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.23 +/- 0.40   0.278% *  3.7757% (0.06   1.0 10.00   5.44  24.90) =   0.032%
        T QD    LYS+  66 - HA    LYS+ 121  10.61 +/- 2.48   0.046% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  11.70 +/- 3.89   0.021% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.08 +/- 1.71   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.93 +/- 1.23   0.004% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 2.73   0.003% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.90 +/- 1.33   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.56   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.90 +/- 1.87   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.66   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.74 +/- 1.81   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.61 +/- 1.54   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.10 +/- 0.97   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.56 +/- 2.08   0.001% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 2.00   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 = 0.964, support = 6.58, residual support = 310.8:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.98 +/- 0.73  23.858% * 97.6597% (1.00   1.0 10.00   6.63 316.35) =  96.368%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.68  72.381% *  1.2130% (0.01  10.0 10.00   5.27 163.31) =   3.632%  kept
          QB    ALA   61 - HA    LYS+  65   5.86 +/- 0.62   2.310% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.30 +/- 2.63   0.025% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.93 +/- 0.91   1.202% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.39 +/- 3.16   0.012% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.38 +/- 1.83   0.004% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  11.75 +/- 2.73   0.031% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  14.57 +/- 2.00   0.011% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.84 +/- 0.91   0.008% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.87 +/- 1.13   0.052% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.55 +/- 2.52   0.010% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.18 +/- 1.33   0.017% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  25.13 +/- 2.72   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.35 +/- 1.50   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.93 +/- 1.69   0.013% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.37 +/- 0.62   0.037% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.70 +/- 2.46   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.62 +/- 1.05   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.04 +/- 2.64   0.007% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.47 +/- 2.84   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.68 +/- 0.92   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  28.11 +/- 2.22   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.80 +/- 1.81   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  13.85 +/- 1.00   0.012% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  28.39 +/- 2.30   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.96 +/- 2.30   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.52 +/- 2.62   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 228.0:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.856% * 98.6779% (1.00  10.0 10.00   6.11 227.96) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.61 +/- 0.53   0.114% *  0.0305% (0.31   1.0  1.00   0.02  15.62) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.47 +/- 1.31   0.012% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.76 +/- 1.54   0.012% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  12.77 +/- 1.59   0.001% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.50 +/- 1.00   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.70 +/- 1.60   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.24 +/- 1.67   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.58 +/- 1.57   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.62 +/- 0.97   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.75 +/- 1.39   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.00 +/- 1.20   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.34 +/- 1.94   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.21 +/- 1.31   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.99 +/- 1.57   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.18 +/- 1.32   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 = 6.23, residual support = 230.9:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.994% * 98.3538% (1.00  10.0 10.00   6.23 230.85) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  11.70 +/- 3.38   0.005% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.60 +/- 1.62   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  17.05 +/- 0.85   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.03 +/- 2.11   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.15 +/- 2.19   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  19.68 +/- 2.89   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.42 +/- 1.11   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.23 +/- 1.77   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.89 +/- 0.84   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  22.28 +/- 2.12   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.34 +/- 2.13   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.49 +/- 2.35   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.95 +/- 1.32   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.93, support = 4.28, residual support = 230.9:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  90.752% * 56.6026% (0.95  10.0   4.17 230.85) =  92.782%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.90 +/- 0.63   9.239% * 43.2573% (0.72  10.0   5.67 230.85) =   7.218%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.77 +/- 1.01   0.008% *  0.0212% (0.36   1.0   0.02  27.53) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.33 +/- 1.73   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  22.33 +/- 4.11   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.84 +/- 2.20   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.81, residual support = 315.2:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  87.140% * 99.3620% (1.00  10.0   6.81 315.22) =  99.992%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.24 +/- 1.38  12.857% *  0.0563% (0.57   1.0   0.02   0.02) =   0.008%
          HB    ILE  119 - HB3   LYS+ 111  10.37 +/- 1.23   0.003% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.85 +/- 2.17   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.72 +/- 2.52   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.48 +/- 2.01   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.79 +/- 2.13   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.42 +/- 2.89   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.84 +/- 2.50   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.04 +/- 2.83   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.27 +/- 2.21   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.86 +/- 2.94   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 60.0:
    * O T QG1   VAL  107 - HA    VAL  107   2.53 +/- 0.43  99.868% * 99.7711% (1.00  10.0 10.00   4.57  60.04) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.98 +/- 1.50   0.017% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.09 +/- 1.97   0.069% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          HG13  ILE  119 - HA    VAL  107  10.02 +/- 0.87   0.041% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          QG1   VAL   24 - HA    VAL  107  17.86 +/- 2.21   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  17.92 +/- 1.97   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.78 +/- 1.10   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.0:
    * O T QG2   VAL  107 - HA    VAL  107   2.55 +/- 0.28  99.914% * 99.7501% (1.00  10.0 10.00   3.63  60.04) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.96 +/- 2.06   0.029% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.98 +/- 1.11   0.020% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  10.02 +/- 0.87   0.035% *  0.0154% (0.15   1.0  1.00   0.02   0.40) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.82 +/- 1.28   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.78 +/- 1.10   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 42.5:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.91 +/- 0.17  93.054% * 83.8871% (1.00  10.0 10.00   3.20  42.74) =  98.826%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.65 +/- 0.13   5.989% * 15.4786% (0.87   1.0  1.00   4.25  21.79) =   1.174%  kept
          HB    ILE  103 - HA    ASP- 105   6.84 +/- 0.52   0.665% *  0.0831% (0.99   1.0  1.00   0.02   2.36) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.82 +/- 0.37   0.267% *  0.0129% (0.15   1.0  1.00   0.02   2.36) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  18.66 +/- 2.86   0.004% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  15.02 +/- 2.87   0.008% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.01 +/- 1.27   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.43 +/- 0.83   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  18.55 +/- 2.32   0.003% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.89 +/- 1.02   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.26 +/- 1.29   0.001% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.88 +/- 1.30   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  23.92 +/- 2.07   0.000% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.85 +/- 1.23   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 42.7:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.975% * 99.5527% (0.95  10.0 10.00   3.38  42.74) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.97 +/- 1.47   0.017% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  10.21 +/- 2.60   0.005% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.87 +/- 1.52   0.003% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.72 +/- 1.14   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.17 +/- 1.47   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.85 +/- 1.70   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.44 +/- 1.08   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.64 +/- 1.73   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 = 4.91, residual support = 140.4:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.74 135.76) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.26 149.82) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.87 +/- 2.89   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  12.14 +/- 1.46   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.75 +/- 1.78   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  21.34 +/- 1.90   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.82 +/- 1.60   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.92 +/- 1.74   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.20 +/- 1.71   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.17 +/- 1.06   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.35 +/- 1.69   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.92 +/- 1.78   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.91 +/- 1.69   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  22.54 +/- 1.34   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.22 +/- 1.11   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.65 +/- 3.72   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.16 +/- 1.79   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  26.71 +/- 1.84   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.36 +/- 2.50   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.34 +/- 1.18   0.000% *  0.0021% (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 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 135.8:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.903% * 99.2815% (0.80  10.0 10.00   4.26 135.77) = 100.000%  kept
          HB    VAL   41 - HG13  ILE  103   7.83 +/- 1.71   0.045% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE  103   6.43 +/- 0.54   0.051% *  0.0900% (0.73   1.0  1.00   0.02  22.47) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.45 +/- 0.96   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.75 +/- 1.69   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.00 +/- 1.11   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.59 +/- 2.55   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.02 +/- 3.58   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  19.26 +/- 1.11   0.000% *  0.0752% (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 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 = 187.9:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.977% * 99.4757% (0.80  10.0   5.69 187.88) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.41 +/- 0.58   0.020% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  11.68 +/- 1.76   0.002% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.05 +/- 1.12   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.31 +/- 2.10   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.67 +/- 1.76   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.16 +/- 1.33   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.98 +/- 1.41   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.03 +/- 1.79   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.60 +/- 1.92   0.000% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 217.2:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.999% * 99.3078% (1.00  10.0 10.00   5.16 217.21) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  13.30 +/- 2.20   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  17.88 +/- 3.29   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  24.68 +/- 3.25   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  21.26 +/- 4.19   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  21.13 +/- 2.85   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  21.13 +/- 2.75   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  20.99 +/- 2.48   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  99.952% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.71 +/- 0.71   0.025% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.96 +/- 1.45   0.017% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.26 +/- 1.83   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.80 +/- 1.64   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.24 +/- 0.61   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.63 +/- 1.18   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.92 +/- 1.72   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.17 +/- 1.38   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.23 +/- 1.62   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 9.96:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81   9.96) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.36 +/- 0.84   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  19.81 +/- 2.02   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.58 +/- 0.90   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.86 +/- 2.40   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.82 +/- 0.83   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.37 +/- 2.45   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.41 +/- 1.96   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.21 +/- 1.21   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  37.67 +/- 2.78   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.3:
    * O   QG2   VAL   24 - QG1   VAL   24   2.06 +/- 0.05  99.999% * 99.5951% (1.00  10.0  1.00   2.70  65.32) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.07 +/- 2.08   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.41 +/- 2.28   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  22.43 +/- 3.69   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 154.4:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.989% * 99.4743% (1.00  10.0 10.00   6.04 154.37) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.36 +/- 0.37   0.009% *  0.0918% (0.92   1.0  1.00   0.02   8.76) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.25 +/- 1.94   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  18.13 +/- 1.75   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.20 +/- 2.64   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.63 +/- 1.98   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.76 +/- 3.48   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  15.99 +/- 2.37   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.60 +/- 1.58   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.81 +/- 2.33   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  20.61 +/- 1.87   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.02 +/- 2.35   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 149.8:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.56 +/- 0.36  92.640% * 99.0807% (1.00  10.0   4.52 149.82) =  99.998%  kept
          HB2   ASP-  78 - QG    LYS+  81   4.78 +/- 0.76   6.482% *  0.0307% (0.31   1.0   0.02   0.94) =   0.002%
          HB2   ASP-  76 - QG    LYS+  81   6.52 +/- 0.70   0.622% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.71   0.151% *  0.0338% (0.34   1.0   0.02   1.51) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33   9.77 +/- 1.02   0.041% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.70 +/- 0.42   0.043% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.82 +/- 1.21   0.004% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  17.30 +/- 4.55   0.003% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.54 +/- 1.65   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  14.44 +/- 1.67   0.006% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.06 +/- 4.23   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.89 +/- 1.60   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.33 +/- 1.81   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.84 +/- 1.49   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.61 +/- 2.20   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  20.11 +/- 1.16   0.001% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.47 +/- 1.36   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.29 +/- 1.27   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.76 +/- 1.67   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.57 +/- 1.42   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  18.79 +/- 2.25   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  20.46 +/- 1.40   0.000% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.48 +/- 2.11   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.56 +/- 0.59   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 149.8:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.08  99.997% * 98.2551% (1.00  10.0 10.00   5.67 149.82) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  19.04 +/- 1.32   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.09 +/- 1.31   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.28 +/- 0.95   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.79 +/- 1.53   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  21.43 +/- 2.48   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.41 +/- 2.15   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 4.82, residual support = 217.7:
    *     QE    LYS+  38 - HA    LYS+  38   4.55 +/- 0.29  66.072% * 93.8736% (1.00  1.00   4.83 219.04) =  99.278%  kept
          QE    LYS+  99 - HA    GLU- 100   6.38 +/- 0.43   9.769% *  4.3737% (0.05  1.00   4.15  39.97) =   0.684%  kept
          QE    LYS+  99 - HA    LYS+  38   7.56 +/- 1.27   5.183% *  0.3488% (0.90  1.00   0.02   0.02) =   0.029%
          QE    LYS+  38 - HA    GLU- 100   6.18 +/- 1.22  16.285% *  0.0235% (0.06  1.00   0.02   0.02) =   0.006%
          QE    LYS+ 102 - HA    LYS+  38  12.09 +/- 1.40   0.234% *  0.3590% (0.92  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HA    GLU- 100   8.37 +/- 0.86   2.082% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  16.17 +/- 0.66   0.035% *  0.8658% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  14.39 +/- 0.94   0.074% *  0.0770% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  17.05 +/- 2.60   0.034% *  0.0523% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.75 +/- 0.38   0.231% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.931, support = 4.5, residual support = 159.2:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.54 +/- 0.56  63.807% * 54.8141% (1.00  10.0 10.00   4.28 163.31) =  69.627%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.92 +/- 0.52  35.940% * 42.4513% (0.77  10.0 10.00   5.01 149.82) =  30.373%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.17 +/- 0.47   0.186% *  0.0287% (0.52   1.0  1.00   0.02   1.51) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.66 +/- 1.78   0.053% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.80 +/- 1.77   0.001% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  18.45 +/- 1.44   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.14 +/- 1.30   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  14.07 +/- 1.88   0.007% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.47 +/- 1.31   0.001% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.09 +/- 1.43   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.83 +/- 1.75   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  18.09 +/- 4.42   0.002% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.07 +/- 4.40   0.001% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.46 +/- 2.07   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.44 +/- 5.27   0.000% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  23.89 +/- 1.35   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.47 +/- 1.52   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.80 +/- 2.07   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.82 +/- 1.58   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.58 +/- 1.66   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.99 +/- 2.53   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.81 +/- 1.70   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.10 +/- 1.26   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.19 +/- 1.28   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 91.6:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.36 +/- 0.14  99.988% * 99.1144% (1.00  10.0 10.00   4.35  91.60) = 100.000%  kept
          QG    GLU-  14 - HG3   GLU-  29  14.11 +/- 1.94   0.004% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  21.71 +/- 1.61   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.16 +/- 2.24   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  15.40 +/- 1.08   0.002% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.56 +/- 1.62   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.18 +/- 1.24   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.98 +/- 2.42   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  26.58 +/- 1.38   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.29 +/- 1.66   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.98 +/- 2.80   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 0.04 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 91.6:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.12  91.60) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  17.09 +/- 3.10   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.41 +/- 0.56   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.48 +/- 1.25   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.08 +/- 1.68   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  27.65 +/- 2.47   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.93 +/- 1.22   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HB3   GLN   17   2.31 +/- 0.12  99.987% * 98.5118% (0.76  10.0 10.00   4.31  84.58) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.27 +/- 1.42   0.011% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  18.43 +/- 1.16   0.000% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.63 +/- 0.89   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.68 +/- 0.92   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  22.01 +/- 2.12   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.91 +/- 0.82   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HA    GLN   17 - HB3   GLN   17   2.64 +/- 0.25  96.830% * 99.5390% (1.00  10.0 10.00   4.00  84.58) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.39 +/- 0.76   3.105% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17   9.92 +/- 0.94   0.049% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.10 +/- 1.03   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.98 +/- 0.96   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  18.23 +/- 1.92   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  18.08 +/- 1.43   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.73 +/- 1.49   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.903% * 97.4347% (1.00  10.0 10.00   4.00  84.58) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.43 +/- 0.51   0.046% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   8.78 +/- 2.65   0.026% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.80 +/- 1.04   0.018% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.16 +/- 1.27   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  10.61 +/- 2.13   0.005% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.90 +/- 1.31   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.34 +/- 0.87   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.30 +/- 1.54   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.45 +/- 1.71   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.08 +/- 2.41   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  23.15 +/- 2.10   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 = 0.907, support = 3.11, residual support = 47.5:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.83 +/- 0.22  68.044% * 72.0932% (1.00  10.0 10.00   2.96  48.11) =  85.190%  kept
      O T HG3   MET   11 - HA    MET   11   3.36 +/- 0.66  31.863% * 26.7625% (0.37  10.0 10.00   4.00  43.97) =  14.809%  kept
        T HG3   MET   11 - HA    GLU-  14  10.54 +/- 1.13   0.052% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - HA    MET   11  10.49 +/- 1.21   0.038% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.03 +/- 1.72   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.91 +/- 2.04   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.03 +/- 1.29   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.42 +/- 2.22   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.49 +/- 3.44   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.13 +/- 2.01   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.83 +/- 1.83   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.42 +/- 3.07   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 64.1:
    * O T HB2   MET   92 - HA    MET   92   2.94 +/- 0.21  99.291% * 99.5277% (1.00  10.0 10.00   3.87  64.10) = 100.000%  kept
          HB    ILE   56 - HA    MET   92  10.14 +/- 2.71   0.160% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.52 +/- 0.85   0.496% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.85 +/- 0.96   0.030% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.52 +/- 1.94   0.005% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  13.01 +/- 1.47   0.016% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.83 +/- 1.12   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.65 +/- 0.91   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.67 +/- 1.06   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.55 +/- 2.73   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.61 +/- 3.00   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.22, residual support = 63.6:
    * O T HB3   MET   92 - HA    MET   92   2.71 +/- 0.17  95.240% * 83.8269% (1.00  10.0 10.00   4.22  64.10) =  99.119%  kept
          HG3   PRO   93 - HA    MET   92   4.54 +/- 0.21   4.560% * 15.5551% (0.76   1.0  1.00   4.86   1.69) =   0.881%  kept
          HD2   LYS+ 111 - HA    MET   92  12.93 +/- 3.36   0.068% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   9.31 +/- 2.17   0.120% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.28 +/- 1.23   0.008% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.12 +/- 1.08   0.003% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.74 +/- 0.77   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.24 +/- 1.09   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.37 +/- 1.67   0.000% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.92 +/- 1.56   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 64.1:
    * O T HG2   MET   92 - HA    MET   92   2.73 +/- 0.40  92.326% * 99.5593% (1.00  10.0 10.00   2.49  64.10) =  99.995%  kept
          HG2   PRO   52 - HA    MET   92   5.35 +/- 2.03   7.591% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU- 114 - HA    MET   92  11.51 +/- 2.33   0.071% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.29 +/- 1.86   0.011% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.62 +/- 1.67   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.71 +/- 0.98   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.53 +/- 2.66   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.1:
    * O T HG3   MET   92 - HA    MET   92   3.21 +/- 0.65  99.023% * 99.3565% (1.00  10.0 10.00   3.97  64.10) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   7.98 +/- 0.46   0.815% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.59 +/- 1.11   0.066% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.72 +/- 1.58   0.068% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  16.27 +/- 1.74   0.012% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  17.26 +/- 1.00   0.006% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.41 +/- 1.46   0.006% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  23.97 +/- 0.96   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.41 +/- 2.14   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.17 +/- 0.84   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.72 +/- 1.38   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 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 = 1.86, residual support = 6.0:
          HB    VAL  108 - QB    LYS+ 106   4.24 +/- 0.22  98.025% * 84.8365% (0.92  1.00   1.86   6.01) =  99.981%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.35 +/- 1.30   0.051% *  9.8773% (1.00 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QB    LYS+ 106   9.87 +/- 0.91   0.783% *  0.5592% (0.57  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - QB    LYS+ 106  11.23 +/- 1.61   0.376% *  0.9877% (1.00  1.00   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - QB    LYS+ 106  10.81 +/- 1.76   0.593% *  0.2199% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QB    LYS+ 106  14.89 +/- 1.03   0.056% *  0.9790% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.15 +/- 1.15   0.026% *  0.8568% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.37 +/- 1.37   0.024% *  0.8568% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.87 +/- 1.92   0.026% *  0.4808% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.69 +/- 1.42   0.023% *  0.1730% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.69 +/- 1.31   0.016% *  0.1730% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 8 structures by 0.90 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.5:
      O   HN    ASP-  76 - HA    VAL   75   2.19 +/- 0.01  99.934% * 99.8873% (0.76  10.0   4.64  27.45) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.66 +/- 0.70   0.066% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.79 +/- 1.71   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 = 84.5:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.01  99.491% * 99.8946% (0.90  10.0   5.27  84.51) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.08 +/- 0.22   0.509% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.8:
          HA    PHE   45 - HB    VAL   75   3.54 +/- 1.44  99.597% * 89.9031% (0.45   0.75  17.85) =  99.977%  kept
          HA    VAL   41 - HB    VAL   75  11.71 +/- 0.75   0.391% *  5.1606% (0.97   0.02   0.02) =   0.023%
          HA    HIS  122 - HB    VAL   75  20.71 +/- 2.19   0.012% *  4.9363% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 7 structures by 0.66 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   4.00 +/- 0.82  99.963% * 98.4855% (0.87   2.00  17.85) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.65 +/- 1.88   0.033% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  23.63 +/- 1.87   0.005% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 4 structures by 0.46 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.535, support = 0.02, residual support = 0.532:
        T HZ    PHE   72 - HB    VAL   75  14.24 +/- 1.02   3.048% * 97.5882% (0.80 10.00   0.02   0.02) =  55.988%  kept
          HZ2   TRP   27 - HB    VAL   75   7.54 +/- 0.88  96.952% *  2.4118% (0.20  1.00   0.02   1.18) =  44.012%  kept
    Distance limit 4.03 A violated in 20 structures by 3.47 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.5:
      O   HN    VAL   75 - HB    VAL   75   2.92 +/- 0.56  99.561% * 99.9348% (0.99  10.0   4.51  84.51) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   7.93 +/- 0.42   0.439% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.14 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   3.03 +/- 0.35  99.871% * 99.5846% (0.34 10.00   2.31  17.85) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.63 +/- 0.43   0.113% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.23 +/- 0.75   0.016% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 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   2.61 +/- 0.54  99.995% * 99.5615% (1.00   2.96  17.85) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.81 +/- 1.52   0.004% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  20.49 +/- 1.20   0.001% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 5.17, residual support = 81.9:
          HN    VAL   75 - QG1   VAL   75   3.43 +/- 0.39  92.617% * 71.4998% (0.90   5.27  84.51) =  96.920%  kept
          HN    ASP-  78 - QG1   VAL   75   5.34 +/- 0.19   7.383% * 28.5002% (0.95   1.99   0.02) =   3.080%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.4:
          HN    ASP-  76 - QG1   VAL   75   3.11 +/- 0.26  99.700% * 99.1034% (0.41   4.97  27.45) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   8.70 +/- 0.74   0.248% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.52 +/- 1.41   0.052% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.45:
          HB2   CYS   21 - QG2   VAL   75   4.79 +/- 1.14  97.000% * 98.7151% (0.76   0.75   2.45) =  99.981%  kept
          QE    LYS+  81 - QG2   VAL   75  10.14 +/- 0.97   2.856% *  0.6032% (0.18   0.02   0.02) =   0.018%
          QE    LYS+ 111 - QG2   VAL   75  15.61 +/- 1.69   0.144% *  0.6817% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 12 structures by 1.32 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.702, support = 0.75, residual support = 14.6:
          HZ    PHE   45 - QG2   VAL   75   3.79 +/- 0.52  70.506% * 63.0260% (0.76   0.75  17.85) =  80.295%  kept
          HZ3   TRP   27 - QG2   VAL   75   4.87 +/- 1.51  29.494% * 36.9740% (0.45   0.75   1.18) =  19.705%  kept
    Distance limit 3.30 A violated in 3 structures by 0.32 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   3.13 +/- 0.51  99.332% * 98.7242% (0.97   2.00  17.85) =  99.994%  kept
          QD    PHE   72 - QG2   VAL   75   7.88 +/- 0.60   0.609% *  1.0207% (1.00   0.02   0.02) =   0.006%
          HZ    PHE   72 - QG2   VAL   75  11.40 +/- 0.77   0.059% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 0.515, residual support = 1.16:
          HE3   TRP   27 - QG2   VAL   75   4.42 +/- 1.10  73.784% * 84.0773% (0.80   0.52   1.18) =  98.466%  kept
          HN    THR   23 - QG2   VAL   75   6.06 +/- 1.06  17.447% *  3.8744% (0.97   0.02   0.02) =   1.073%  kept
          QE    PHE   95 - QG2   VAL   75   7.96 +/- 1.31   6.628% *  3.9352% (0.98   0.02   0.02) =   0.414%
          HD1   TRP   49 - QG2   VAL   75  11.76 +/- 1.42   1.029% *  1.2391% (0.31   0.02   0.02) =   0.020%
          QD    PHE   55 - QG2   VAL   75  14.23 +/- 1.44   0.217% *  3.4824% (0.87   0.02   0.02) =   0.012%
          HD2   HIS   22 - QG2   VAL   75   9.59 +/- 1.00   0.777% *  0.7945% (0.20   0.02   0.02) =   0.010%
          HN    LEU   67 - QG2   VAL   75  13.87 +/- 0.72   0.117% *  2.5971% (0.65   0.02   0.02) =   0.005%
    Distance limit 3.49 A violated in 5 structures by 0.81 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.14, residual support = 84.5:
          HN    VAL   75 - QG2   VAL   75   2.65 +/- 0.62  99.590% * 99.5916% (0.90   5.14  84.51) =  99.998%  kept
          HN    ASP-  78 - QG2   VAL   75   7.37 +/- 0.43   0.410% *  0.4084% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.608, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.22 +/- 0.66  97.605% * 48.3894% (0.61   0.02   0.02) =  97.449%  kept
          HN    VAL  108 - QG2   VAL   75  12.20 +/- 1.70   2.395% * 51.6106% (0.65   0.02   0.02) =   2.551%  kept
    Distance limit 3.92 A violated in 20 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.76, residual support = 36.2:
      O   HN    ASP-  76 - HB3   ASP-  76   2.88 +/- 0.48  99.998% * 99.4520% (0.15  10.0   3.76  36.19) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.58 +/- 2.12   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 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   2.60 +/- 0.56  99.786% * 99.6604% (0.41  10.0   3.72  36.19) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   8.73 +/- 1.66   0.115% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.18 +/- 2.04   0.087% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.35 +/- 1.92   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  15.64 +/- 2.51   0.005% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.25 +/- 1.36   0.005% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.01 +/- 1.10   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.24 +/- 1.99   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  21.81 +/- 1.08   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.603, residual support = 0.603:
          HN    LEU   80 - HA    THR   77   4.04 +/- 0.78  99.337% * 88.0846% (0.38   0.60   0.60) =  99.963%  kept
          HN    THR   26 - HA    THR   77  12.14 +/- 0.67   0.399% *  5.0331% (0.65   0.02   0.02) =   0.023%
          HN    CYS   53 - HA    THR   77  12.89 +/- 1.03   0.249% *  4.7190% (0.61   0.02   0.02) =   0.013%
          HN    ALA   34 - HA    THR   77  19.80 +/- 0.86   0.015% *  2.1632% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 3 structures by 0.52 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 = 4.59, residual support = 28.1:
      O   HN    ASP-  78 - HA    THR   77   3.50 +/- 0.03  98.656% * 99.8470% (0.65  10.0   4.59  28.13) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.22 +/- 0.30   1.344% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.03, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.79 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.03  37.75) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.25, residual support = 8.54:
        T QD    PHE   45 - QG2   THR   77   3.15 +/- 0.49 100.000% *100.0000% (0.80 10.00   2.25   8.54) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.59, residual support = 9.71:
          HN    THR   46 - QG2   THR   77   2.85 +/- 0.52  84.495% * 98.1631% (0.87   3.60   9.72) =  99.919%  kept
          HN    MET   92 - QG2   THR   77   5.58 +/- 2.02  15.352% *  0.4322% (0.69   0.02   0.02) =   0.080%
          HN    LYS+  74 - QG2   THR   77   8.82 +/- 0.51   0.147% *  0.6167% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.69 +/- 2.39   0.006% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  27.06 +/- 2.79   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.06 +/- 0.22 100.000% *100.0000% (0.87   4.03  37.75) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.19:
          HA    ALA   20 - HB2   LYS+  74   3.71 +/- 0.41  99.769% * 98.6222% (0.61   1.50   8.19) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.66 +/- 0.92   0.231% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.19:
          HA    ALA   20 - HB3   LYS+  74   2.97 +/- 0.47  99.938% * 99.2963% (0.76   2.96   8.19) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.85 +/- 0.58   0.062% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.9:
      O   HA    LYS+  74 - HB3   LYS+  74   2.97 +/- 0.08  99.979% * 99.8966% (0.80  10.0   6.20 187.88) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.28 +/- 0.61   0.014% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.65 +/- 0.84   0.008% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.47 +/- 0.21  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.42) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  18.75 +/- 1.24   0.001% *  0.0779% (0.04   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 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.437, support = 1.63, residual support = 1.51:
          HB3   MET   92 - HB3   PRO   93   5.40 +/- 0.43  21.038% * 75.1150% (0.41  1.00   1.82   1.69) =  89.700%  kept
          QG1   ILE   56 - HB3   PRO   93   5.42 +/- 2.83  63.689% *  1.8019% (0.90  1.00   0.02   0.02) =   6.514%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  11.78 +/- 3.50   9.430% *  6.2012% (0.31 10.00   0.02   0.02) =   3.319%  kept
          HB    ILE   89 - HB3   PRO   93  11.03 +/- 2.20   5.236% *  0.7541% (0.38  1.00   0.02   0.02) =   0.224%
        T HB2   LEU   73 - HB3   PRO   93  12.85 +/- 1.49   0.340% * 11.3749% (0.57 10.00   0.02   0.02) =   0.220%
          QD    LYS+ 106 - HB3   PRO   93  11.34 +/- 0.90   0.247% *  1.5354% (0.76  1.00   0.02   0.02) =   0.022%
          QD    LYS+  99 - HB3   PRO   93  19.26 +/- 0.88   0.010% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.66 +/- 1.10   0.010% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 4 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  99.894% * 99.4465% (0.80  10.0   6.01 132.42) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.36 +/- 1.90   0.084% *  0.0853% (0.69   1.0   0.02   0.24) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.82 +/- 1.71   0.014% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.85 +/- 2.46   0.003% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.47 +/- 1.71   0.003% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.95 +/- 2.52   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.10 +/- 1.53   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  23.86 +/- 2.82   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.67 +/- 1.16   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  32.70 +/- 2.99   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.56 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.42) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.107:
          QD    PHE   45 - HB3   PRO   93   6.37 +/- 1.31 100.000% *100.0000% (0.76   0.02   0.11) = 100.000%  kept
    Distance limit 4.02 A violated in 17 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 2.13, residual support = 15.0:
          QD1   ILE   19 - HG2   GLN   30   3.90 +/- 0.66  91.389% * 96.3080% (0.95   2.13  14.99) =  99.945%  kept
          QG1   VAL   41 - HG2   GLN   30   7.73 +/- 1.36   4.902% *  0.4643% (0.49   0.02   0.02) =   0.026%
          QG1   VAL   43 - HG2   GLN   30   7.95 +/- 1.01   2.999% *  0.6552% (0.69   0.02   0.02) =   0.022%
          QG2   VAL   18 - HG2   GLN   30   9.93 +/- 0.60   0.495% *  0.8554% (0.90   0.02   0.02) =   0.005%
          QG2   THR   46 - HG2   GLN   30  12.55 +/- 1.13   0.184% *  0.9205% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  104 - HG2   GLN   30  15.86 +/- 1.30   0.031% *  0.7967% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.76:
        T QG2   THR   26 - HG2   GLN   30   2.89 +/- 0.55  99.794% * 87.3618% (0.61 10.00   0.75   4.76) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.52 +/- 1.04   0.027% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   9.55 +/- 1.00   0.166% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.28 +/- 0.88   0.002% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  22.88 +/- 2.44   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.80 +/- 2.28   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  16.18 +/- 1.51   0.006% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.94 +/- 1.72   0.003% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.82 +/- 2.10   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 230.9:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.73 +/- 0.23  99.979% * 99.8036% (0.95  10.0 10.00   6.97 230.85) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  13.48 +/- 2.44   0.016% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  14.69 +/- 1.41   0.005% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.23, residual support = 230.9:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.67 +/- 0.27  99.986% * 99.8561% (0.73  10.0 10.00   6.23 230.85) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  15.01 +/- 2.95   0.011% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  16.79 +/- 1.38   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  29.23 +/- 3.20   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.66, residual support = 230.9:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.86 +/- 0.64  99.988% * 99.7523% (0.97  10.0   5.66 230.85) = 100.000%  kept
          HN    THR   46 - HB3   LYS+ 112  16.98 +/- 2.43   0.005% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  15.76 +/- 2.81   0.006% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.17 +/- 2.29   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.37 +/- 2.13   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.72, residual support = 230.9:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.64 +/- 0.60  99.843% * 99.6310% (0.84  10.0   5.72 230.85) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.66 +/- 0.63   0.151% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.15 +/- 1.36   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.58 +/- 3.39   0.002% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.91 +/- 0.63   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.53 +/- 2.60   0.001% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.19 +/- 2.26   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  38.58 +/- 2.04   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.25, residual support = 5.86:
          HA    PHE   72 - HB    VAL   42   2.78 +/- 0.60  99.620% * 99.0383% (0.85   2.25   5.86) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.09 +/- 0.47   0.374% *  0.1998% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  19.43 +/- 1.42   0.002% *  0.6209% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.70 +/- 0.87   0.004% *  0.1410% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.76, residual support = 88.0:
      O   HN    VAL   42 - HB    VAL   42   2.36 +/- 0.18  96.416% * 85.3072% (0.80  10.0   5.78  88.53) =  99.395%  kept
          HN    LEU   73 - HB    VAL   42   4.31 +/- 0.68   3.471% * 14.4266% (0.80   1.0   3.38   1.46) =   0.605%  kept
          HN    ILE   19 - HB    VAL   42   7.57 +/- 0.62   0.098% *  0.0257% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.39 +/- 1.04   0.012% *  0.0598% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.77 +/- 0.80   0.002% *  0.0422% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.53 +/- 1.63   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.39 +/- 1.25   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.45 +/- 1.85   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.373, support = 0.848, residual support = 1.87:
          QD    PHE   55 - HB2   LYS+ 112   5.17 +/- 1.74  74.506% * 16.2024% (0.12   0.99   3.16) =  51.317%  kept
          QD    PHE   60 - HB    VAL   42   7.96 +/- 1.75  16.731% * 64.8343% (0.66   0.72   0.53) =  46.113%  kept
          HE3   TRP   27 - HB    VAL   42   8.77 +/- 1.34   4.874% * 11.7181% (0.22   0.40   0.02) =   2.428%  kept
          QD    PHE   60 - HB2   LYS+ 112  12.00 +/- 1.85   1.312% *  1.2695% (0.47   0.02   0.02) =   0.071%
          HN    LYS+  66 - HB    VAL   42  10.46 +/- 0.63   2.162% *  0.6544% (0.24   0.02   0.02) =   0.060%
          HN    LYS+  66 - HB2   LYS+ 112  16.55 +/- 1.40   0.230% *  0.4619% (0.17   0.02   0.02) =   0.005%
          HN    LYS+  81 - HB    VAL   42  20.25 +/- 1.20   0.037% *  2.3330% (0.86   0.02   0.02) =   0.004%
          QD    PHE   55 - HB    VAL   42  17.82 +/- 1.35   0.132% *  0.4658% (0.17   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB2   LYS+ 112  26.51 +/- 3.54   0.007% *  1.6464% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.20 +/- 2.03   0.011% *  0.4142% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 7 structures by 1.01 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.462, support = 0.945, residual support = 5.86:
        T QD    PHE   72 - HB    VAL   42   3.54 +/- 0.67  91.984% * 81.0817% (0.46 10.00   0.94   5.86) =  98.312%  kept
          HZ    PHE   72 - HB    VAL   42   5.69 +/- 0.59   7.394% * 17.3047% (0.78  1.00   1.18   5.86) =   1.687%  kept
          QE    PHE   45 - HB    VAL   42   8.73 +/- 0.34   0.575% *  0.1117% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  15.85 +/- 1.19   0.021% *  1.2158% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  16.71 +/- 1.30   0.015% *  0.2073% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.43 +/- 1.90   0.011% *  0.0788% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.54 +/- 0.20  99.970% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.10 +/- 1.36   0.030% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.84 +/- 0.21  99.944% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.43 +/- 1.22   0.056% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.53 +/- 0.17  99.997% * 99.9814% (0.84  10.0   1.72   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.05 +/- 1.58   0.003% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.70 +/- 0.25  99.998% * 99.8617% (0.85  10.0   2.38  12.40) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  18.89 +/- 3.33   0.002% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  26.70 +/- 2.47   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.11 +/- 1.93   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.77 +/- 0.19  99.983% * 99.7294% (0.46  10.0   2.30  12.40) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.02 +/- 2.79   0.015% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.32 +/- 2.51   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.11 +/- 2.30   0.001% *  0.0359% (0.17   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 = 3.5, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.51 +/- 0.12  99.906% * 99.5700% (0.65  10.0   3.50  12.08) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.24 +/- 0.56   0.092% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.65 +/- 3.68   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.05 +/- 1.35   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.17 +/- 1.37   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.69 +/- 2.65   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  26.85 +/- 1.35   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.49 +/- 1.98   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   3.87 +/- 0.20  98.486% * 98.7263% (0.97   3.57  12.08) =  99.997%  kept
          HN    ALA   12 - HB3   GLU-  14   8.58 +/- 1.17   1.465% *  0.1962% (0.34   0.02   0.02) =   0.003%
          HN    ASN   35 - HG3   MET   11  20.52 +/- 4.28   0.014% *  0.3243% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB3   GLU-  14  15.71 +/- 1.68   0.029% *  0.1151% (0.20   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  21.40 +/- 2.03   0.004% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  29.66 +/- 2.98   0.001% *  0.2355% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  26.81 +/- 1.99   0.001% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  35.52 +/- 1.74   0.000% *  0.2355% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.11, residual support = 6.68:
      O   HN    GLU-  14 - HA    SER   13   2.45 +/- 0.19  99.975% * 99.1146% (0.92  10.0   2.11   6.68) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  13.99 +/- 2.11   0.005% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.09 +/- 0.37   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  16.90 +/- 2.68   0.002% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.32 +/- 1.27   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.75 +/- 0.36   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.92 +/- 2.32   0.002% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.16 +/- 0.45   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.11 +/- 0.55   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  18.88 +/- 2.88   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  20.85 +/- 3.59   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.81 +/- 2.29   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.25 +/- 1.15   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.36 +/- 1.84   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.98 +/- 0.74   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.24 +/- 2.07   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  31.91 +/- 4.22   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  28.51 +/- 3.81   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.622, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.09 +/- 1.78  17.360% * 21.8157% (0.99   0.02   0.02) =  34.405%  kept
          HN    LEU   73 - HA    THR   46  11.34 +/- 0.64  32.970% *  7.5418% (0.34   0.02   0.02) =  22.588%  kept
          HN    ILE   19 - HA    THR   46  13.45 +/- 1.05  12.264% * 13.2032% (0.60   0.02   0.02) =  14.710%  kept
          HN    VAL   42 - HA    SER   37  12.80 +/- 0.41  15.954% *  6.6588% (0.30   0.02   0.02) =   9.651%  kept
          HN    VAL   42 - HA    THR   46  14.74 +/- 0.32   6.902% *  7.5418% (0.34   0.02   0.02) =   4.729%  kept
          HN    ILE   19 - HA    SER   37  16.19 +/- 0.75   4.026% * 11.6574% (0.53   0.02   0.02) =   4.264%  kept
          HN    LEU   73 - HA    SER   13  16.75 +/- 1.81   3.412% * 12.4613% (0.57   0.02   0.02) =   3.862%  kept
          HN    VAL   42 - HA    SER   13  17.26 +/- 1.77   2.824% * 12.4613% (0.57   0.02   0.02) =   3.197%  kept
          HN    LEU   73 - HA    SER   37  16.01 +/- 0.61   4.287% *  6.6588% (0.30   0.02   0.02) =   2.593%  kept
    Distance limit 3.32 A violated in 20 structures by 6.04 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 = 26.9:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.34  99.985% * 99.5355% (0.83  10.0   3.43  26.90) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.16 +/- 2.75   0.007% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  14.99 +/- 1.95   0.005% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.48 +/- 0.67   0.003% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  24.05 +/- 2.41   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.08 +/- 1.51   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  27.50 +/- 3.00   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  29.60 +/- 3.23   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.06 +/- 1.87  57.054% * 22.8936% (0.69   0.02   0.02) =  70.803%  kept
          HA    LEU  104 - HB3   GLU-  14  24.56 +/- 2.22  17.715% * 12.5086% (0.38   0.02   0.02) =  12.011%  kept
          HA    TRP   87 - HB3   GLU-  14  30.26 +/- 4.74   5.813% * 33.2545% (1.00   0.02   0.02) =  10.478%  kept
          HA    PHE   59 - HG3   MET   11  28.79 +/- 1.80   7.141% *  8.1279% (0.24   0.02   0.02) =   3.146%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.88 +/- 2.13   5.261% *  5.1424% (0.15   0.02   0.02) =   1.467%  kept
          HA    LEU  104 - HG3   MET   11  31.91 +/- 3.39   4.329% *  4.4409% (0.13   0.02   0.02) =   1.042%  kept
          HA    TRP   87 - HG3   MET   11  38.21 +/- 5.01   1.454% * 11.8063% (0.35   0.02   0.02) =   0.931%  kept
          HA    ASP- 113 - HG3   MET   11  38.37 +/- 1.96   1.234% *  1.8257% (0.05   0.02   0.02) =   0.122%
    Distance limit 3.52 A violated in 20 structures by 14.73 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.76, residual support = 48.1:
      O   HN    GLU-  14 - HB3   GLU-  14   3.26 +/- 0.32  99.671% * 99.5831% (0.92  10.0   3.76  48.11) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.41 +/- 1.06   0.289% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  14.19 +/- 1.84   0.026% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.30 +/- 2.97   0.005% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  20.89 +/- 2.10   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  20.35 +/- 4.00   0.006% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.80 +/- 3.48   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.31 +/- 3.10   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.47 +/- 3.97   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.96 +/- 4.67   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.75, residual support = 48.1:
      O   HN    GLU-  14 - HB2   GLU-  14   3.16 +/- 0.45  99.692% * 99.3938% (0.49  10.0   3.75  48.11) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.76 +/- 1.30   0.286% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  15.91 +/- 1.58   0.008% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.88 +/- 3.05   0.004% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.33 +/- 2.25   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  20.72 +/- 4.54   0.004% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  19.98 +/- 2.15   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.06 +/- 3.58   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.60 +/- 2.79   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.88 +/- 1.78   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  28.95 +/- 2.31   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.72 +/- 1.72   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 5.99:
      O   HN    GLY   16 - HA    GLU-  15   2.51 +/- 0.17  99.989% * 99.5949% (0.97  10.0   2.07   5.99) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.83 +/- 1.60   0.008% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.96 +/- 1.85   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.70 +/- 1.82   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.48 +/- 1.48   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  24.51 +/- 2.72   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.62 +/- 1.96   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  24.89 +/- 3.23   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  27.40 +/- 1.83   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.0, residual support = 106.5:
      O   HN    ASN   28 - HA    ASN   28   2.77 +/- 0.03  99.999% * 99.8927% (0.84  10.0   6.00 106.49) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.88 +/- 1.11   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 = 18.4:
        T HB2   LEU   31 - HA    ASN   28   3.30 +/- 0.23  98.719% * 93.5437% (0.38 10.00   2.56  18.42) =  99.998%  kept
        T QB    ALA   84 - HA    ASN   28  13.19 +/- 1.96   0.034% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.50 +/- 0.92   0.467% *  0.0935% (0.38  1.00   0.02   0.85) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   8.76 +/- 1.52   0.485% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.69 +/- 2.47   0.084% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  11.17 +/- 2.92   0.124% *  0.1311% (0.53  1.00   0.02   1.54) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.33 +/- 1.15   0.048% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.37 +/- 1.32   0.019% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.67 +/- 4.28   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  18.90 +/- 1.73   0.004% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.94 +/- 1.96   0.005% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.13 +/- 1.58   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  17.83 +/- 2.08   0.005% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.08 +/- 1.35   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.59 +/- 2.24   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  27.12 +/- 2.49   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.42, residual support = 18.4:
          HG    LEU   31 - HA    ASN   28   3.11 +/- 1.09  97.310% * 97.5122% (0.61   3.42  18.42) =  99.980%  kept
          QD2   LEU   73 - HA    ASN   28   7.60 +/- 0.96   2.681% *  0.7180% (0.76   0.02   0.85) =   0.020%
          QD1   ILE   56 - HA    ASN   28  19.39 +/- 1.63   0.006% *  0.9067% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.85 +/- 2.62   0.001% *  0.7180% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  24.00 +/- 3.57   0.002% *  0.1450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA2   GLY   16   2.84 +/- 0.19  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.45 +/- 1.52   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.03 +/- 1.80   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.6:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.04  99.372% * 99.5709% (0.65  10.0   3.26  16.63) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16   9.30 +/- 1.93   0.576% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  12.58 +/- 0.79   0.047% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.02 +/- 0.92   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  28.64 +/- 4.67   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  28.99 +/- 3.09   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.89 +/- 1.40   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.6:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.05  99.334% * 99.5709% (0.65  10.0   3.26  16.63) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   8.55 +/- 2.01   0.616% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  11.88 +/- 0.97   0.046% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.35 +/- 1.25   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  27.53 +/- 4.80   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  27.99 +/- 3.15   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.92 +/- 1.39   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA1   GLY   16   2.35 +/- 0.18  99.999% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.40 +/- 1.93   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.71 +/- 2.62   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  27.31 +/- 1.80   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  27.90 +/- 1.81   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.6:
      O T HB3   GLN   17 - QG    GLN   17   2.31 +/- 0.12  98.933% * 99.0943% (0.58  10.0 10.00   4.31  84.58) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   6.81 +/- 1.64   0.541% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.53 +/- 0.22   0.213% *  0.0260% (0.15   1.0  1.00   0.02  32.52) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.13 +/- 1.44   0.024% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.27 +/- 1.42   0.011% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.14 +/- 0.88   0.158% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.74 +/- 1.26   0.028% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.11 +/- 0.79   0.032% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.20 +/- 1.58   0.008% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.06 +/- 1.37   0.030% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70  10.10 +/- 0.59   0.016% *  0.0066% (0.04   1.0  1.00   0.02   2.70) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.84 +/- 1.83   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.42 +/- 1.99   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.74 +/- 1.63   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.17 +/- 1.63   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.94 +/- 1.49   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.54 +/- 1.40   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.20 +/- 1.60   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.494, support = 5.5, residual support = 84.6:
          HN    GLN   17 - QG    GLN   17   2.73 +/- 0.61  95.213% * 98.0764% (0.49   5.50  84.58) =  99.997%  kept
          HD21  ASN   69 - HB    VAL   70   5.39 +/- 0.81   4.325% *  0.0506% (0.07   0.02  26.23) =   0.002%
          HN    ALA   61 - QG    GLN   17  10.31 +/- 0.77   0.107% *  0.2682% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.74 +/- 1.13   0.258% *  0.0730% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.37 +/- 1.42   0.052% *  0.2470% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.80 +/- 0.97   0.034% *  0.0549% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.42 +/- 1.33   0.005% *  0.0850% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  24.19 +/- 3.95   0.000% *  0.4412% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.90 +/- 1.55   0.000% *  0.2265% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  23.92 +/- 2.73   0.000% *  0.2682% (0.37   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  22.95 +/- 5.10   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.52 +/- 0.97   0.003% *  0.0174% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  24.32 +/- 3.38   0.000% *  0.0549% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  23.86 +/- 1.46   0.000% *  0.0464% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.60 +/- 0.22  98.893% * 99.7451% (0.76   5.81  50.08) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   8.68 +/- 1.28   0.826% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70  10.36 +/- 1.23   0.243% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  15.94 +/- 1.50   0.015% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.26 +/- 1.68   0.016% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  18.39 +/- 1.00   0.006% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.6:
      O   HN    GLN   17 - HB3   GLN   17   3.19 +/- 0.36  99.868% * 99.5709% (0.65  10.0   5.17  84.58) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.86 +/- 0.85   0.097% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.05 +/- 1.64   0.027% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.47 +/- 0.89   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  27.09 +/- 4.35   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.37 +/- 1.78   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  26.76 +/- 2.89   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.49 +/- 0.56  99.744% * 99.8372% (1.00   5.47  50.08) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.35 +/- 1.25   0.250% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.32 +/- 1.11   0.007% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.6:
      O T HB3   GLN   17 - HA    GLN   17   2.64 +/- 0.25  97.534% * 99.4149% (0.76  10.0 10.00   4.00  84.58) =  99.997%  kept
          QB    LYS+  65 - HA    GLN   17   5.62 +/- 0.97   2.316% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17   8.66 +/- 0.98   0.114% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.79 +/- 1.24   0.030% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.82 +/- 1.90   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.84 +/- 1.52   0.003% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.67 +/- 2.05   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.79 +/- 1.44   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  21.27 +/- 1.41   0.000% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.6:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.782% * 94.0226% (0.18  10.0 10.00   4.00  84.58) =  99.999%  kept
        T HB3   GLN   17 - HB3   PRO   68   8.78 +/- 2.65   0.026% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.43 +/- 0.51   0.046% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   PRO   68   6.93 +/- 1.29   0.041% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.12 +/- 0.80   0.040% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.37 +/- 1.17   0.037% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.72 +/- 1.39   0.012% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.39 +/- 1.00   0.006% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.50 +/- 0.65   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.74 +/- 2.95   0.001% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.67 +/- 1.10   0.001% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.68 +/- 0.99   0.002% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.79 +/- 1.06   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  13.74 +/- 1.62   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.49 +/- 2.24   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  16.40 +/- 0.71   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.33 +/- 1.49   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.64 +/- 1.97   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.58 +/- 1.82   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.65 +/- 1.72   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.72 +/- 1.50   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.98 +/- 1.98   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.88 +/- 2.48   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.97 +/- 1.36   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.30 +/- 1.72   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.41 +/- 1.36   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.53 +/- 1.49   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.8:
      O   HA    PRO   68 - HB3   PRO   68   2.35 +/- 0.13  96.700% * 99.9155% (0.19  10.0   2.96  35.77) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15   5.76 +/- 1.68   3.230% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17   8.74 +/- 1.91   0.071% *  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   2.52 +/- 0.46  96.626% * 97.9601% (0.24   5.47  50.08) =  99.996%  kept
          HN    SER   13 - QB    GLU-  15   6.39 +/- 1.38   2.984% *  0.0897% (0.06   0.02   0.02) =   0.003%
          HN    VAL   18 - HB3   PRO   68   9.83 +/- 2.14   0.075% *  0.8982% (0.61   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    GLU-  15   8.29 +/- 0.27   0.132% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - HB2   GLN   17  11.05 +/- 1.66   0.164% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  13.02 +/- 3.06   0.014% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.92 +/- 1.31   0.003% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.85 +/- 0.75   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.23 +/- 1.67   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.59 +/- 0.04  99.999% * 99.9233% (0.84  10.0   5.47  50.08) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.62 +/- 0.74   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  26.33 +/- 2.44   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.45:
        T QB    ALA   64 - HA    GLN   17   3.48 +/- 0.65  99.485% * 97.4196% (0.69 10.00   1.22   2.45) =  99.994%  kept
        T QG1   VAL   42 - HA    GLN   17   8.99 +/- 0.89   0.500% *  1.1284% (0.49 10.00   0.02   0.02) =   0.006%
        T QB    ALA   47 - HA    GLN   17  17.22 +/- 1.08   0.011% *  1.4061% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  20.06 +/- 2.24   0.004% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 4 structures by 0.56 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.2:
      O   HN    VAL   18 - HB    VAL   18   2.48 +/- 0.46  99.997% * 99.9233% (0.84  10.0   4.99  77.21) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.60 +/- 0.59   0.002% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  22.26 +/- 2.46   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 6.27:
        T HB2   PHE   72 - HA    VAL   18   3.06 +/- 0.44  96.210% * 99.1293% (0.49 10.00   1.50   6.27) =  99.989%  kept
          HA    ALA   64 - HA    VAL   18   5.56 +/- 0.69   3.788% *  0.2662% (0.98  1.00   0.02   8.75) =   0.011%
        T HB3   ASN   35 - HA    VAL   18  18.73 +/- 0.61   0.002% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 22.7:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.04  99.437% * 99.7159% (0.73  10.0   4.86  22.71) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.59 +/- 0.68   0.528% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.82 +/- 0.90   0.034% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.42 +/- 1.12   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.416, support = 0.0198, residual support = 1.54:
          QB    ALA   61 - QG1   VAL   18   4.68 +/- 1.22  76.181% *  2.2202% (0.15   0.02   3.40) =  44.954%  kept
          HG    LEU   73 - QG1   VAL   18   6.47 +/- 0.69  18.731% *  8.7275% (0.61   0.02   0.02) =  43.448%  kept
          HG    LEU   67 - QG1   VAL   18  10.57 +/- 1.30   1.005% * 14.3572% (1.00   0.02   0.02) =   3.835%  kept
          HG    LEU   40 - QG1   VAL   18  11.58 +/- 0.83   0.512% * 14.2618% (0.99   0.02   0.02) =   1.941%  kept
          QG    LYS+  66 - QG1   VAL   18   9.98 +/- 1.07   1.098% *  5.9156% (0.41   0.02   0.02) =   1.727%  kept
          HB3   LEU   67 - QG1   VAL   18   9.85 +/- 1.17   1.439% *  3.5880% (0.25   0.02   0.02) =   1.373%  kept
          HB3   LEU  115 - QG1   VAL   18  12.41 +/- 1.47   0.312% * 14.2618% (0.99   0.02   0.02) =   1.181%  kept
          HB3   LEU   40 - QG1   VAL   18  12.09 +/- 1.30   0.393% *  6.4511% (0.45   0.02   0.02) =   0.674%  kept
          HG    LEU  115 - QG1   VAL   18  13.39 +/- 1.41   0.183% *  9.8840% (0.69   0.02   0.02) =   0.481%
          QB    ALA  120 - QG1   VAL   18  14.28 +/- 1.28   0.124% *  9.8840% (0.69   0.02   0.02) =   0.325%
          HG2   LYS+ 102 - QG1   VAL   18  19.23 +/- 1.30   0.022% * 10.4487% (0.73   0.02   0.02) =   0.061%
    Distance limit 2.87 A violated in 16 structures by 1.57 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 = 9.31:
        T QB    ALA   34 - QG1   VAL   41   1.93 +/- 0.26  99.900% * 97.8928% (0.49 10.00   2.96   9.31) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.77 +/- 0.50   0.004% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.70 +/- 0.89   0.039% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.68 +/- 0.90   0.018% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18  10.20 +/- 1.05   0.007% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.34 +/- 0.72   0.003% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.67 +/- 1.22   0.001% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  12.17 +/- 0.96   0.002% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.59 +/- 0.61   0.002% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.97 +/- 0.92   0.018% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  16.33 +/- 2.37   0.001% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  17.44 +/- 1.67   0.000% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.47 +/- 1.78   0.004% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  18.25 +/- 0.90   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.06 +/- 1.44   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.46 +/- 1.22   0.001% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.11 +/- 1.43   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  17.37 +/- 2.87   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.91, residual support = 74.0:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  83.891% * 94.4700% (0.84  10.0 10.00   3.91  74.09) =  99.932%  kept
          HB3   GLN   17 - QG2   VAL   18   5.11 +/- 1.01   1.415% *  3.5612% (0.15   1.0  1.00   4.16  50.08) =   0.064%
          HB2   LEU   71 - QG1   VAL   41   4.32 +/- 0.93   2.877% *  0.0777% (0.69   1.0  1.00   0.02   4.37) =   0.003%
          QB    LYS+ 102 - QD2   LEU  104   3.46 +/- 0.98  10.638% *  0.0051% (0.04   1.0  1.00   0.02   0.11) =   0.001%
          QB    LYS+  65 - QG2   VAL   18   5.42 +/- 0.98   0.467% *  0.0628% (0.55   1.0  1.00   0.02   0.16) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.67 +/- 1.07   0.058% *  0.0945% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.70 +/- 1.44   0.055% *  0.0777% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.56 +/- 0.74   0.047% *  0.0834% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.06 +/- 1.48   0.058% *  0.0507% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  12.07 +/- 1.12   0.003% *  0.7220% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.43 +/- 0.71   0.437% *  0.0042% (0.04   1.0  1.00   0.02  37.00) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.89 +/- 0.59   0.018% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.13 +/- 1.84   0.011% *  0.0847% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  13.21 +/- 0.68   0.002% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.20 +/- 0.67   0.001% *  0.0821% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.37 +/- 1.92   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.23 +/- 1.08   0.000% *  0.1109% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.49 +/- 1.06   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.76 +/- 2.20   0.006% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  16.13 +/- 1.48   0.001% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.56 +/- 1.04   0.007% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.57 +/- 1.11   0.000% *  0.0722% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.00 +/- 1.60   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.06 +/- 3.58   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.58 +/- 1.61   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  14.37 +/- 3.53   0.002% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.53 +/- 1.85   0.001% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.16 +/- 1.47   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.00 +/- 2.21   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.87   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.665, support = 1.51, residual support = 6.9:
          HG2   LYS+  65 - QG2   VAL   18   4.24 +/- 1.67  57.581% *  8.5499% (0.76   0.24   0.16) =  60.180%  kept
          HB3   LEU   40 - QG1   VAL   41   5.37 +/- 0.22   3.500% * 83.6381% (0.46   3.81  18.91) =  35.786%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.84 +/- 1.45  34.357% *  0.9382% (0.99   0.02   0.99) =   3.940%  kept
          HD2   LYS+ 121 - QD2   LEU  104   9.57 +/- 3.39   2.676% *  0.0999% (0.11   0.02   0.02) =   0.033%
          QG2   THR   26 - QG1   VAL   41   8.82 +/- 1.03   0.233% *  0.6042% (0.64   0.02   0.02) =   0.017%
          QG2   THR   26 - QG2   VAL   18   9.04 +/- 0.50   0.146% *  0.7906% (0.84   0.02   0.02) =   0.014%
          HB3   LEU   40 - QD2   LEU  104   7.44 +/- 1.51   1.030% *  0.0882% (0.09   0.02   0.02) =   0.011%
          QD    LYS+  66 - QG2   VAL   18   9.06 +/- 1.00   0.189% *  0.2922% (0.31   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QG1   VAL   41  12.10 +/- 1.05   0.030% *  0.7170% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   40 - QG2   VAL   18  11.67 +/- 0.88   0.036% *  0.5741% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  12.28 +/- 1.20   0.032% *  0.3553% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  14.36 +/- 1.84   0.014% *  0.6502% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  12.91 +/- 1.06   0.020% *  0.3553% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG1   VAL   41  14.78 +/- 2.54   0.014% *  0.4969% (0.52   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.04 +/- 0.97   0.008% *  0.5528% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  11.19 +/- 2.35   0.071% *  0.0546% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  15.20 +/- 2.11   0.009% *  0.2715% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.91 +/- 0.73   0.008% *  0.2233% (0.24   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.14 +/- 2.44   0.021% *  0.0449% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.50 +/- 1.06   0.007% *  0.1215% (0.13   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  17.85 +/- 1.76   0.003% *  0.2715% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.97 +/- 1.27   0.004% *  0.1442% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.35 +/- 1.97   0.004% *  0.1112% (0.12   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.31 +/- 1.41   0.007% *  0.0546% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.983, residual support = 3.4:
        T HA    ALA   61 - QG2   VAL   18   2.90 +/- 0.80  98.555% * 97.7192% (0.87 10.00   0.98   3.40) =  99.999%  kept
          HD2   PRO   68 - QG2   VAL   18   9.58 +/- 0.91   0.139% *  0.2246% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  13.42 +/- 2.92   0.899% *  0.0345% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   41  14.03 +/- 1.07   0.017% *  1.5188% (0.66 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG1   VAL   41  10.93 +/- 0.84   0.115% *  0.0852% (0.37  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   18   9.38 +/- 0.76   0.164% *  0.0453% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   41  12.76 +/- 0.97   0.039% *  0.1716% (0.75  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG2   VAL   18  12.71 +/- 0.79   0.046% *  0.1115% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.35 +/- 1.47   0.011% *  0.0305% (0.13  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  17.54 +/- 1.94   0.007% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.61 +/- 1.31   0.003% *  0.0346% (0.15  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.51 +/- 1.58   0.005% *  0.0070% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 3 structures by 0.36 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.13, residual support = 74.1:
      O T HA    VAL   41 - QG1   VAL   41   2.47 +/- 0.18  99.681% * 98.8372% (0.65  10.0 10.00   4.13  74.09) = 100.000%  kept
        T HA    VAL   41 - QG2   VAL   18  10.35 +/- 0.85   0.026% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   9.20 +/- 1.09   0.052% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.99 +/- 1.08   0.076% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.34 +/- 0.41   0.007% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  13.66 +/- 3.91   0.011% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   9.82 +/- 4.49   0.140% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.29 +/- 1.29   0.005% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.34 +/- 1.31   0.003% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.987, support = 0.0199, residual support = 0.984:
          QD    PHE   60 - QG1   VAL   18   4.55 +/- 0.88  94.859% * 36.4324% (1.00   0.02   1.01) =  97.146%  kept
          HN    LYS+  66 - QG1   VAL   18   8.75 +/- 0.96   3.267% * 25.0257% (0.69   0.02   0.02) =   2.298%  kept
          QE    PHE   59 - QG1   VAL   18   9.62 +/- 1.54   1.670% *  8.1111% (0.22   0.02   0.02) =   0.381%
          HN    LYS+  81 - QG1   VAL   18  14.09 +/- 0.86   0.204% * 30.4309% (0.84   0.02   0.02) =   0.175%
    Distance limit 3.03 A violated in 15 structures by 1.49 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.2:
          HN    VAL   18 - QG1   VAL   18   3.43 +/- 0.29  99.942% * 99.8233% (0.92   5.49  77.21) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  12.96 +/- 1.67   0.058% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.84 +/- 0.62  98.826% * 88.9047% (0.31   0.99   0.99) =  99.943%  kept
          HN    THR   46 - QG1   VAL   18   8.59 +/- 1.14   1.103% *  4.2382% (0.73   0.02   0.02) =   0.053%
          HN    MET   92 - QG1   VAL   18  14.47 +/- 1.72   0.052% *  5.2344% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - QG1   VAL   18  17.28 +/- 1.46   0.020% *  1.6228% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 3 structures by 0.48 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.86, residual support = 22.7:
          HN    ILE   19 - QG1   VAL   18   2.68 +/- 0.34  96.421% * 99.8055% (0.84   4.86  22.71) =  99.996%  kept
          HN    LEU   73 - QG1   VAL   18   4.97 +/- 0.69   3.463% *  0.0973% (0.20   0.02   0.02) =   0.004%
          HN    VAL   42 - QG1   VAL   18   8.51 +/- 0.90   0.116% *  0.0973% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.806, support = 1.02, residual support = 0.983:
          QD    PHE   60 - QG2   VAL   18   4.11 +/- 0.86  84.900% * 75.3941% (0.80   1.04   1.01) =  97.097%  kept
          HN    LYS+  66 - QG2   VAL   18   6.55 +/- 0.91  10.846% * 17.3821% (0.98   0.20   0.02) =   2.860%  kept
          QE    PHE   59 - QG2   VAL   18   8.67 +/- 0.93   1.496% *  1.0206% (0.57   0.02   0.02) =   0.023%
          HN    PHE   59 - QG2   VAL   18   8.46 +/- 0.81   1.474% *  0.4013% (0.22   0.02   0.02) =   0.009%
          QD    PHE   60 - QG1   VAL   41  11.71 +/- 1.38   0.262% *  1.1031% (0.61   0.02   0.02) =   0.004%
          QE    PHE   59 - QG1   VAL   41  12.67 +/- 2.05   0.205% *  0.7799% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QG1   VAL   41  14.06 +/- 0.62   0.074% *  1.3503% (0.75   0.02   0.02) =   0.002%
          QE    PHE   59 - QD2   LEU  104  11.12 +/- 2.06   0.419% *  0.1568% (0.09   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  104  14.81 +/- 2.16   0.115% *  0.2715% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG2   VAL   18  16.00 +/- 1.11   0.037% *  0.8082% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  13.52 +/- 1.28   0.097% *  0.2218% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  17.75 +/- 1.68   0.022% *  0.6176% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  17.26 +/- 1.33   0.022% *  0.3067% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  17.00 +/- 1.71   0.025% *  0.0617% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  22.72 +/- 2.27   0.007% *  0.1242% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 10 structures by 0.95 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.28, residual support = 77.2:
          HN    VAL   18 - QG2   VAL   18   2.41 +/- 0.62  99.423% * 98.1499% (0.61   5.28  77.21) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.35 +/- 0.96   0.454% *  0.1168% (0.19   0.02   0.02) =   0.001%
          HN    GLU-  29 - QG1   VAL   41   9.23 +/- 0.81   0.080% *  0.3400% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.26 +/- 0.61   0.007% *  0.4449% (0.73   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.04 +/- 1.21   0.009% *  0.2840% (0.46   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.54 +/- 0.62   0.015% *  0.1528% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  16.62 +/- 3.36   0.003% *  0.1445% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  18.64 +/- 2.07   0.002% *  0.1891% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.42 +/- 1.62   0.002% *  0.0684% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.47 +/- 1.68   0.002% *  0.0571% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.76 +/- 1.41   0.003% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  20.07 +/- 3.78   0.001% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.45, residual support = 74.1:
          HN    VAL   41 - QG1   VAL   41   2.39 +/- 0.44  99.440% * 98.4605% (0.14   4.45  74.09) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.95 +/- 1.28   0.367% *  0.0238% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.42 +/- 0.66   0.172% *  0.0348% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  12.16 +/- 0.96   0.008% *  0.6476% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  12.18 +/- 0.73   0.010% *  0.3385% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.57 +/- 0.94   0.003% *  0.4949% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 86.9:
          HN    VAL   83 - QG1   VAL   83   2.44 +/- 0.32  99.949% * 98.5348% (0.36   5.34  86.93) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83  11.53 +/- 3.30   0.041% *  0.1777% (0.17   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  13.47 +/- 1.50   0.006% *  0.5085% (0.49   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.60 +/- 1.48   0.003% *  0.7790% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 1.04, residual support = 1.12:
          QG1   VAL   24 - QG1   VAL   83   3.28 +/- 1.98  51.612% * 58.3543% (0.46  1.00   1.23   1.12) =  77.151%  kept
          QG2   VAL   24 - QG1   VAL   83   3.56 +/- 2.55  48.158% * 18.4749% (0.46  1.00   0.39   1.12) =  22.791%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.73 +/- 2.12   0.131% * 15.6553% (0.75 10.00   0.02   0.02) =   0.053%
        T HG    LEU   63 - QG1   VAL   83  18.72 +/- 2.51   0.024% *  6.7736% (0.33 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - QG1   VAL   83  22.65 +/- 2.87   0.075% *  0.7420% (0.36  1.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 2 structures by 0.59 A, kept.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.505, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.12 +/- 0.39  13.421% * 27.9530% (0.14 10.00   0.02   0.02) =  34.736%  kept
          HB3   PHE   97 - HA    ILE   19  16.55 +/- 0.85  12.034% * 19.0666% (0.92  1.00   0.02   0.02) =  21.244%  kept
          HB2   PRO   58 - HA    ILE   19  16.92 +/- 1.57  11.568% * 19.0666% (0.92  1.00   0.02   0.02) =  20.422%  kept
          QG    GLU-  79 - HA    ILE   19  12.61 +/- 1.04  58.402% *  3.1869% (0.15  1.00   0.02   0.02) =  17.233%  kept
          HB2   GLU- 100 - HA    ILE   19  21.03 +/- 1.36   2.944% * 14.1878% (0.69  1.00   0.02   0.02) =   3.867%  kept
          HB2   GLN  116 - HA    ILE   19  23.16 +/- 1.75   1.631% * 16.5389% (0.80  1.00   0.02   0.02) =   2.498%  kept
    Distance limit 3.72 A violated in 20 structures by 7.74 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 = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.24 +/- 0.05  99.998% * 99.9363% (0.73  10.0   5.05  25.47) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.42 +/- 0.46   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.97 +/- 3.09   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.64, residual support = 172.1:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.03  99.481% * 99.8764% (0.98  10.0   6.64 172.08) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.17 +/- 0.33   0.457% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.19 +/- 0.86   0.063% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.08 +/- 0.63 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 172.1:
      O   HN    ILE   19 - HB    ILE   19   2.34 +/- 0.25  98.520% * 99.6598% (0.65  10.0   5.85 172.08) =  99.998%  kept
          HN    LEU   73 - HB    ILE   19   5.09 +/- 0.55   1.326% *  0.1487% (0.97   1.0   0.02   4.00) =   0.002%
          HN    VAL   42 - HB    ILE   19   7.54 +/- 0.95   0.153% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.41 +/- 1.23   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 172.1:
      O   HG13  ILE   19 - QG2   ILE   19   2.95 +/- 0.14  97.572% * 98.1968% (0.28  10.0   4.89 172.08) =  99.995%  kept
          QB    ALA   34 - QG2   ILE   19   6.86 +/- 0.49   0.722% *  0.3501% (0.99   1.0   0.02   0.02) =   0.003%
          QG2   THR   23 - QG2   ILE   19   7.58 +/- 0.66   0.438% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   7.32 +/- 0.57   0.482% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.06 +/- 0.70   0.745% *  0.0478% (0.14   1.0   0.02   8.28) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  12.76 +/- 1.04   0.018% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.49 +/- 0.75   0.008% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.40 +/- 0.87   0.008% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.60 +/- 1.32   0.008% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 172.0:
      O   HG12  ILE   19 - QG2   ILE   19   2.94 +/- 0.23  73.850% * 99.0974% (0.95  10.0  1.00   5.44 172.08) =  99.981%  kept
          HG    LEU   73 - QG2   ILE   19   3.92 +/- 0.77  23.007% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.017%
          HB3   LYS+  74 - QG2   ILE   19   5.34 +/- 0.62   2.847% *  0.0393% (0.38   1.0  1.00   0.02   8.28) =   0.002%
          QB    ALA   61 - QG2   ILE   19   9.08 +/- 0.88   0.102% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.61 +/- 0.84   0.042% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  10.40 +/- 2.40   0.067% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  11.16 +/- 0.90   0.030% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  11.23 +/- 1.91   0.033% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  12.80 +/- 0.70   0.012% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  15.66 +/- 2.10   0.006% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.38 +/- 1.15   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.05 +/- 1.98   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 172.1:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.01  93.828% * 99.2447% (0.80  10.0   4.89 172.08) =  99.998%  kept
          HG3   GLN   30 - QG2   ILE   19   3.94 +/- 0.63   6.042% *  0.0276% (0.22   1.0   0.02  14.99) =   0.002%
          HB2   GLN   17 - QG2   ILE   19   7.17 +/- 0.48   0.069% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.74 +/- 0.57   0.045% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.99 +/- 0.24   0.009% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  11.69 +/- 1.48   0.005% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  12.87 +/- 0.88   0.002% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.36 +/- 1.05   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  20.65 +/- 1.90   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, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 15.0:
          HG2   GLN   30 - QG2   ILE   19   3.28 +/- 0.45  99.795% * 96.5710% (0.65   2.13  14.99) =  99.999%  kept
          HB3   ASN   28 - QG2   ILE   19  10.01 +/- 0.46   0.144% *  0.5751% (0.41   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  15.08 +/- 2.62   0.025% *  1.2133% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  16.16 +/- 2.20   0.015% *  1.3957% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  14.29 +/- 0.61   0.021% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 172.1:
      O   HA    ILE   19 - QG2   ILE   19   2.73 +/- 0.28  99.940% * 99.7522% (0.92  10.0   5.75 172.08) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.84 +/- 0.36   0.053% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  15.68 +/- 0.75   0.004% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  16.42 +/- 1.81   0.004% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.80 +/- 0.39  99.944% * 97.9102% (0.31   3.68  25.47) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19  10.57 +/- 0.67   0.053% *  1.2511% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  18.28 +/- 2.35   0.002% *  0.8387% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.74, residual support = 172.0:
          HN    ILE   19 - QG2   ILE   19   3.35 +/- 0.39  89.927% * 98.8261% (0.65   5.75 172.08) =  99.942%  kept
          HN    LEU   73 - QG2   ILE   19   5.05 +/- 0.71   8.557% *  0.5130% (0.97   0.02   4.00) =   0.049%
          HN    VAL   42 - QG2   ILE   19   6.95 +/- 0.66   1.507% *  0.5130% (0.97   0.02   0.02) =   0.009%
          HN    LYS+ 106 - QG2   ILE   19  16.28 +/- 1.08   0.008% *  0.1478% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.302, support = 0.0198, residual support = 0.881:
          QD1   LEU   40 - HG    LEU   71   5.91 +/- 1.15  80.688% *  3.3680% (0.06   0.02   1.94) =  44.853%  kept
          QD2   LEU   67 - HG13  ILE   19  11.40 +/- 2.39   4.350% * 39.2581% (0.69   0.02   0.02) =  28.188%  kept
          QD1   LEU   40 - HG13  ILE   19   9.98 +/- 1.64   4.548% * 23.4959% (0.41   0.02   0.02) =  17.638%  kept
          QD2   LEU   67 - HG    LEU   71   9.87 +/- 1.79   8.369% *  5.6275% (0.10   0.02   0.02) =   7.773%  kept
          QG2   ILE  119 - HG13  ILE   19  16.46 +/- 2.15   0.296% * 15.8904% (0.28   0.02   0.02) =   0.775%  kept
          QD1   ILE  103 - HG13  ILE   19  16.79 +/- 1.86   0.256% *  8.8183% (0.15   0.02   0.02) =   0.372%
          QD1   ILE  103 - HG    LEU   71  13.26 +/- 1.30   0.965% *  1.2641% (0.02   0.02   0.02) =   0.201%
          QG2   ILE  119 - HG    LEU   71  15.83 +/- 2.75   0.528% *  2.2778% (0.04   0.02   0.02) =   0.199%
    Distance limit 2.97 A violated in 19 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.643, support = 5.82, residual support = 170.7:
          HN    ILE   19 - HG13  ILE   19   3.49 +/- 0.65  81.642% * 93.2702% (0.65   5.85 172.08) =  99.146%  kept
          HN    VAL   42 - HG    LEU   71   5.24 +/- 0.53  11.711% *  5.5083% (0.14   1.62   5.37) =   0.840%  kept
          HN    LEU   73 - HG13  ILE   19   7.25 +/- 0.83   1.309% *  0.4755% (0.97   0.02   4.00) =   0.008%
          HN    LEU   73 - HG    LEU   71   6.92 +/- 1.17   3.183% *  0.0682% (0.14   0.02   0.02) =   0.003%
          HN    VAL   42 - HG13  ILE   19   9.26 +/- 1.52   0.333% *  0.4755% (0.97   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   71   7.27 +/- 1.26   1.808% *  0.0457% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.18 +/- 1.61   0.003% *  0.1370% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  16.98 +/- 1.19   0.010% *  0.0196% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 15.0:
          HE22  GLN   30 - QG2   ILE   19   3.15 +/- 0.49  99.742% * 97.3475% (0.41   2.13  14.99) =  99.998%  kept
          QE    PHE   45 - QG2   ILE   19   9.22 +/- 1.26   0.223% *  0.4390% (0.20   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   ILE   19  12.81 +/- 1.03   0.035% *  2.2135% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.06, residual support = 15.0:
          HE21  GLN   30 - QG2   ILE   19   2.81 +/- 0.54  99.771% * 97.4797% (1.00   2.06  14.99) =  99.998%  kept
          HD1   TRP   27 - QG2   ILE   19   8.48 +/- 0.52   0.205% *  0.8225% (0.87   0.02   0.02) =   0.002%
          QD    PHE   59 - QG2   ILE   19  12.55 +/- 1.09   0.022% *  0.8225% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  19.93 +/- 1.37   0.001% *  0.8753% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.23, residual support = 15.0:
          HE22  GLN   30 - QD1   ILE   19   3.74 +/- 0.53  99.946% * 93.9602% (0.25   2.23  14.99) =  99.999%  kept
          HN    VAL   83 - QD1   ILE   19  15.47 +/- 2.37   0.036% *  1.1518% (0.34   0.02   0.02) =   0.000%
          HN    CYS   50 - QD1   ILE   19  18.69 +/- 1.25   0.009% *  2.7037% (0.80   0.02   0.02) =   0.000%
          HN    TRP   49 - QD1   ILE   19  18.55 +/- 1.07   0.009% *  2.1843% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.25 +/- 1.25 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.89 A violated in 20 structures by 13.36 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 = 25.5:
          HA    ILE   19 - QB    ALA   20   3.84 +/- 0.05  99.723% * 98.7254% (0.92   3.85  25.47) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  10.85 +/- 0.35   0.201% *  0.5558% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.17 +/- 1.15   0.049% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.40 +/- 1.13   0.027% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.857, support = 0.0199, residual support = 7.14:
          QE    LYS+  74 - QB    ALA   20   5.79 +/- 0.78  80.836% * 25.4326% (0.90   0.02   8.19) =  87.163%  kept
          HB2   PHE   72 - QB    ALA   20   7.95 +/- 0.50  15.174% * 16.0552% (0.57   0.02   0.02) =  10.329%  kept
          QB    CYS   50 - QB    ALA   20  12.31 +/- 1.73   1.625% * 26.1780% (0.92   0.02   0.02) =   1.804%  kept
          HB3   ASP-  78 - QB    ALA   20  11.11 +/- 1.01   2.148% *  4.9664% (0.18   0.02   0.02) =   0.452%
          HB3   ASN   69 - QB    ALA   20  16.13 +/- 0.83   0.217% * 27.3678% (0.97   0.02   0.02) =   0.252%
    Distance limit 3.56 A violated in 19 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.869, support = 1.94, residual support = 4.27:
          HD2   HIS   22 - QB    ALA   20   4.45 +/- 0.15  71.670% * 69.5391% (0.92   2.02   4.91) =  86.429%  kept
          HN    THR   23 - QB    ALA   20   5.28 +/- 0.33  27.758% * 28.1840% (0.53   1.44   0.20) =  13.567%  kept
          QE    PHE   95 - QB    ALA   20  11.29 +/- 1.43   0.339% *  0.3628% (0.49   0.02   0.02) =   0.002%
          HN    LEU   67 - QB    ALA   20  13.16 +/- 0.71   0.112% *  0.6684% (0.90   0.02   0.02) =   0.001%
          HD1   TRP   49 - QB    ALA   20  14.82 +/- 1.58   0.063% *  0.7387% (0.99   0.02   0.02) =   0.001%
          HD21  ASN   35 - QB    ALA   20  17.09 +/- 0.76   0.023% *  0.3921% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  16.31 +/- 1.48   0.036% *  0.1150% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.75, residual support = 15.6:
          HN    CYS   21 - QB    ALA   20   3.60 +/- 0.04  99.905% * 99.0971% (0.95   3.75  15.55) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.44 +/- 0.51   0.061% *  0.3388% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  16.58 +/- 1.68   0.012% *  0.1724% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.37 +/- 1.08   0.006% *  0.2939% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.74 +/- 0.63   0.015% *  0.0978% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.74, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.26 +/- 0.08  99.991% * 99.6086% (0.31  10.0   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.98 +/- 0.74   0.009% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.32 +/- 2.70   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 = 0.481, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21  10.00 +/- 0.61  47.930% *  4.7734% (0.34   0.02   0.02) =  39.814%  kept
          HB    VAL   41 - HB2   CYS   21  11.66 +/- 1.64  23.317% *  9.0526% (0.65   0.02   0.02) =  36.733%  kept
          QB    LYS+  81 - HB2   CYS   21  12.91 +/- 1.43  12.703% *  3.1155% (0.22   0.02   0.02) =   6.887%  kept
          HG12  ILE  103 - HB2   CYS   21  17.27 +/- 2.28   2.092% * 11.2053% (0.80   0.02   0.02) =   4.080%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.55 +/- 1.48   3.820% *  2.7693% (0.20   0.02   0.02) =   1.841%  kept
          QB    LYS+  66 - HB2   CYS   21  17.68 +/- 0.89   1.617% *  6.2738% (0.45   0.02   0.02) =   1.766%  kept
          HG2   PRO   93 - HB2   CYS   21  17.14 +/- 2.05   2.894% *  3.1155% (0.22   0.02   0.02) =   1.569%  kept
          HB3   PRO   52 - HB2   CYS   21  20.88 +/- 1.48   0.615% * 13.7167% (0.98   0.02   0.02) =   1.468%  kept
          HG2   ARG+  54 - HB2   CYS   21  19.98 +/- 2.55   1.234% *  6.8115% (0.49   0.02   0.02) =   1.462%  kept
          HB    ILE  103 - HB2   CYS   21  19.43 +/- 1.87   0.952% *  7.3624% (0.53   0.02   0.02) =   1.219%  kept
          HG3   PRO   68 - HB2   CYS   21  20.31 +/- 1.14   0.703% *  7.9226% (0.57   0.02   0.02) =   0.969%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.84 +/- 1.70   0.887% *  6.2738% (0.45   0.02   0.02) =   0.968%  kept
          HB3   GLN   90 - HB2   CYS   21  19.23 +/- 1.34   1.009% *  3.8908% (0.28   0.02   0.02) =   0.683%  kept
          HG    LEU  123 - HB2   CYS   21  25.55 +/- 2.63   0.226% * 13.7167% (0.98   0.02   0.02) =   0.540%  kept
    Distance limit 3.65 A violated in 20 structures by 5.13 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.767, support = 1.41, residual support = 7.03:
          QD1   LEU   73 - HB2   CYS   21   4.26 +/- 0.72  52.712% * 82.2435% (0.80   1.50   7.65) =  91.854%  kept
          QD2   LEU   80 - HB2   CYS   21   5.11 +/- 2.37  34.130% *  9.9174% (0.41   0.35   0.02) =   7.172%  kept
          QD1   LEU   80 - HB2   CYS   21   6.10 +/- 2.75  12.141% *  3.7405% (0.22   0.25   0.02) =   0.962%  kept
          QG2   VAL   41 - HB2   CYS   21   8.63 +/- 0.81   0.654% *  0.5140% (0.38   0.02   0.02) =   0.007%
          QD1   LEU   63 - HB2   CYS   21  13.09 +/- 1.79   0.081% *  1.0966% (0.80   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   CYS   21  10.77 +/- 1.49   0.213% *  0.3049% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  14.31 +/- 1.55   0.038% *  1.2642% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  17.49 +/- 1.99   0.011% *  0.6140% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.11 +/- 1.70   0.020% *  0.3049% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.43, residual support = 27.7:
      O T HA    CYS   21 - HB2   CYS   21   2.82 +/- 0.26  99.993% * 99.6850% (0.92  10.0 10.00   2.43  27.73) = 100.000%  kept
          HA1   GLY  109 - HB2   CYS   21  21.71 +/- 2.94   0.002% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.79 +/- 1.91   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.56 +/- 1.77   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  19.43 +/- 1.52   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.622, support = 2.17, residual support = 4.8:
          HN    THR   23 - HB2   CYS   21   3.95 +/- 0.54  92.530% * 19.6439% (0.53   1.65   4.84) =  75.967%  kept
          HD2   HIS   22 - HB2   CYS   21   6.34 +/- 0.43   7.281% * 78.9767% (0.92   3.79   4.67) =  24.031%  kept
          QE    PHE   95 - HB2   CYS   21  13.27 +/- 1.38   0.110% *  0.2198% (0.49   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  15.42 +/- 0.94   0.037% *  0.2376% (0.53   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  17.26 +/- 1.02   0.020% *  0.4049% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  17.86 +/- 1.78   0.015% *  0.4475% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.85 +/- 1.68   0.007% *  0.0697% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.34, residual support = 27.7:
      O   HN    CYS   21 - HB2   CYS   21   2.76 +/- 0.48  99.940% * 99.8294% (0.95  10.0   3.34  27.73) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.69 +/- 0.56   0.050% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  16.07 +/- 2.46   0.004% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.61 +/- 0.69   0.005% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.97 +/- 1.69   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.315, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB3   CYS   21   9.40 +/- 0.76  58.383% *  4.7734% (0.23   0.02   0.02) =  49.237%  kept
          HB    VAL   41 - HB3   CYS   21  11.57 +/- 1.55  20.506% *  9.0526% (0.44   0.02   0.02) =  32.796%  kept
          QB    LYS+  81 - HB3   CYS   21  13.14 +/- 1.45   9.429% *  3.1155% (0.15   0.02   0.02) =   5.190%  kept
          HG12  ILE  103 - HB3   CYS   21  17.35 +/- 2.36   1.796% * 11.2053% (0.55   0.02   0.02) =   3.556%  kept
          QB    LYS+  66 - HB3   CYS   21  18.15 +/- 0.82   1.233% *  6.2738% (0.31   0.02   0.02) =   1.366%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.95 +/- 1.37   2.787% *  2.7693% (0.14   0.02   0.02) =   1.364%  kept
          HB    ILE  103 - HB3   CYS   21  19.55 +/- 1.96   0.802% *  7.3624% (0.36   0.02   0.02) =   1.044%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.84 +/- 2.58   0.857% *  6.8115% (0.33   0.02   0.02) =   1.032%  kept
          HB3   PRO   52 - HB3   CYS   21  21.71 +/- 1.12   0.412% * 13.7167% (0.67   0.02   0.02) =   0.999%  kept
          HG2   PRO   93 - HB3   CYS   21  17.90 +/- 1.97   1.630% *  3.1155% (0.15   0.02   0.02) =   0.897%  kept
          HG3   PRO   68 - HB3   CYS   21  20.58 +/- 1.07   0.579% *  7.9226% (0.39   0.02   0.02) =   0.810%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.23 +/- 1.87   0.676% *  6.2738% (0.31   0.02   0.02) =   0.749%  kept
          HB3   GLN   90 - HB3   CYS   21  19.80 +/- 1.20   0.718% *  3.8908% (0.19   0.02   0.02) =   0.493%
          HG    LEU  123 - HB3   CYS   21  26.07 +/- 3.02   0.192% * 13.7167% (0.67   0.02   0.02) =   0.466%
    Distance limit 3.75 A violated in 20 structures by 4.81 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   2.88 +/- 0.56  99.229% * 95.4718% (0.60   2.00   2.74) =  99.991%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.50 +/- 0.78   0.757% *  1.0982% (0.69   0.02   9.76) =   0.009%
          HB3   LEU   40 - HB3   CYS   21  15.68 +/- 0.95   0.006% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  16.70 +/- 1.67   0.004% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.52 +/- 2.57   0.001% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  20.20 +/- 0.88   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.24 +/- 1.75   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.33 +/- 1.97   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.527, support = 1.4, residual support = 7.02:
          QD1   LEU   73 - HB3   CYS   21   4.19 +/- 0.67  52.698% * 82.3193% (0.55   1.50   7.65) =  91.725%  kept
          QD2   LEU   80 - HB3   CYS   21   5.35 +/- 2.51  35.928% *  9.7772% (0.28   0.35   0.02) =   7.428%  kept
          QD1   LEU   80 - HB3   CYS   21   6.42 +/- 2.78  10.407% *  3.8012% (0.15   0.25   0.02) =   0.836%  kept
          QG2   VAL   41 - HB3   CYS   21   8.50 +/- 0.93   0.668% *  0.5144% (0.26   0.02   0.02) =   0.007%
          QD2   LEU   98 - HB3   CYS   21  10.77 +/- 1.50   0.197% *  0.3052% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.63 +/- 1.72   0.054% *  1.0976% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.78 +/- 1.44   0.028% *  1.2653% (0.63   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   CYS   21  16.25 +/- 1.60   0.014% *  0.3052% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.10 +/- 2.20   0.007% *  0.6145% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.35, residual support = 27.7:
      O   HN    CYS   21 - HB3   CYS   21   3.31 +/- 0.47  99.780% * 99.8294% (0.65  10.0   3.35  27.73) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21   9.97 +/- 0.61   0.193% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  16.47 +/- 2.47   0.011% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.07 +/- 0.61   0.015% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.58 +/- 1.78   0.001% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   2.83 +/- 0.64  99.919% * 88.5568% (0.52   0.75   1.50) =  99.998%  kept
          HD1   TRP   87 - HB3   CYS   21  13.93 +/- 3.13   0.033% *  2.8564% (0.63   0.02   0.02) =   0.001%
          HN    THR   39 - HB3   CYS   21  14.96 +/- 0.59   0.009% *  2.9271% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  14.34 +/- 0.63   0.010% *  1.7519% (0.39   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  15.98 +/- 1.37   0.010% *  1.0555% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  17.69 +/- 1.18   0.005% *  1.2721% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  16.56 +/- 3.95   0.012% *  0.4188% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.85 +/- 2.20   0.003% *  1.1613% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.441, support = 2.6, residual support = 4.79:
          HN    THR   23 - HB3   CYS   21   4.16 +/- 0.31  88.649% * 23.2551% (0.36   2.09   4.84) =  70.957%  kept
          HD2   HIS   22 - HB3   CYS   21   6.00 +/- 0.32  11.183% * 75.4505% (0.63   3.86   4.67) =  29.041%  kept
          QE    PHE   95 - HB3   CYS   21  13.88 +/- 1.37   0.081% *  0.2062% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  14.78 +/- 1.04   0.051% *  0.2229% (0.36   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.71 +/- 0.85   0.017% *  0.3800% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.59 +/- 1.64   0.014% *  0.4199% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.61 +/- 1.56   0.005% *  0.0654% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.48, residual support = 27.7:
      O T HA    CYS   21 - HB3   CYS   21   2.56 +/- 0.20  99.998% * 99.6850% (0.63  10.0 10.00   2.48  27.73) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.73 +/- 2.04   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  20.20 +/- 1.36   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.39 +/- 1.34   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.41 +/- 2.62   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 2.52, residual support = 33.7:
      O   HD2   HIS   22 - HB2   HIS   22   3.56 +/- 0.53  77.405% * 86.9125% (0.74  10.0   2.40  34.25) =  95.882%  kept
          HN    THR   23 - HB2   HIS   22   4.51 +/- 0.05  22.575% * 12.7999% (0.42   1.0   5.17  21.33) =   4.118%  kept
          HD1   TRP   49 - HB2   HIS   22  19.37 +/- 2.86   0.007% *  0.0933% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.82 +/- 1.60   0.007% *  0.0458% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  19.65 +/- 1.79   0.003% *  0.0495% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.83 +/- 0.86   0.002% *  0.0844% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.01 +/- 2.19   0.001% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 3.04, residual support = 34.1:
      O   HD2   HIS   22 - HB3   HIS   22   3.25 +/- 0.49  83.777% * 94.7026% (0.95  10.0   3.01  34.25) =  98.977%  kept
          HN    THR   23 - HB3   HIS   22   4.44 +/- 0.05  16.213% *  5.0572% (0.18   1.0   5.77  21.33) =   1.023%  kept
          HD21  ASN   35 - HB3   HIS   22  19.32 +/- 1.50   0.002% *  0.0924% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  19.79 +/- 2.33   0.002% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.82 +/- 0.70   0.001% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  18.02 +/- 1.54   0.004% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.31, residual support = 21.3:
          QG2   THR   23 - HB3   HIS   22   3.47 +/- 0.48  99.923% * 95.9694% (0.34   3.31  21.33) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  12.41 +/- 1.02   0.070% *  1.6852% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  19.25 +/- 1.13   0.005% *  1.2346% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  23.19 +/- 1.52   0.002% *  0.6381% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.59 +/- 1.76   0.001% *  0.4727% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.21, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.36 +/- 0.79  98.007% * 98.4521% (0.38   3.21  12.65) =  99.968%  kept
          QD    PHE   95 - HB    THR   46   8.04 +/- 1.30   1.993% *  1.5479% (0.95   0.02   0.02) =   0.032%
    Distance limit 4.11 A violated in 0 structures by 0.04 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   3.39 +/- 0.44  98.525% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    MET   92 - HB    THR   46   8.81 +/- 2.20   1.112% *  0.0789% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB    THR   46   9.42 +/- 1.35   0.286% *  0.1126% (0.98   1.0   0.02   0.12) =   0.000%
          HN    LYS+ 112 - HB    THR   46  14.27 +/- 2.75   0.076% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  30.60 +/- 3.50   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.451, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  12.16 +/- 1.38  27.799% * 12.9434% (0.64  1.00   0.02   0.02) =  48.702%  kept
          HB3   LEU   80 - HB2   HIS   22  10.74 +/- 1.46  54.851% *  4.0306% (0.20  1.00   0.02   0.02) =  29.924%  kept
          HB2   LEU   31 - HB2   HIS   22  14.30 +/- 1.67  13.248% *  6.0667% (0.30  1.00   0.02   0.02) =  10.878%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.23 +/- 1.06   1.315% * 28.3087% (0.14 10.00   0.02   0.02) =   5.039%  kept
          QB    ALA   88 - HB2   HIS   22  19.01 +/- 1.23   1.637% * 16.1643% (0.80  1.00   0.02   0.02) =   3.582%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.51 +/- 2.04   0.589% * 13.5016% (0.67  1.00   0.02   0.02) =   1.076%  kept
          HG2   LYS+  99 - HB2   HIS   22  24.78 +/- 1.77   0.410% * 11.7377% (0.58  1.00   0.02   0.02) =   0.651%  kept
          HG2   LYS+ 111 - HB2   HIS   22  29.72 +/- 2.60   0.152% *  7.2470% (0.36  1.00   0.02   0.02) =   0.149%
    Distance limit 3.90 A violated in 20 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 15.6:
      O   HN    CYS   21 - HA    ALA   20   2.25 +/- 0.02  99.997% * 99.8294% (0.95  10.0   2.96  15.55) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.59 +/- 0.36   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.25 +/- 2.11   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.45 +/- 1.26   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.56 +/- 0.46   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.43 +/- 0.76 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.17 A violated in 20 structures by 5.26 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   5.52 +/- 1.25  98.643% * 18.5628% (0.57   0.02   0.02) =  98.573%  kept
          QG    GLN   32 - HA    HIS   22  14.94 +/- 1.23   0.535% * 27.4474% (0.85   0.02   0.02) =   0.790%  kept
          HB3   PHE   45 - HA    HIS   22  13.62 +/- 1.47   0.718% * 13.7211% (0.42   0.02   0.02) =   0.530%  kept
          HB    VAL  107 - HA    HIS   22  21.77 +/- 1.21   0.043% * 26.5475% (0.82   0.02   0.02) =   0.062%
          QE    LYS+ 112 - HA    HIS   22  22.29 +/- 2.90   0.062% * 13.7211% (0.42   0.02   0.02) =   0.045%
    Distance limit 3.28 A violated in 17 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.313, support = 0.0199, residual support = 0.0199:
        T HB2   LEU   73 - HA    HIS   22   9.53 +/- 0.93  43.008% * 28.4146% (0.26 10.00   0.02   0.02) =  83.748%  kept
          HB    VAL   83 - HA    HIS   22  11.47 +/- 1.52  17.824% *  8.1833% (0.76  1.00   0.02   0.02) =   9.996%  kept
          HD2   LYS+  74 - HA    HIS   22   9.92 +/- 1.12  35.085% *  1.7898% (0.17  1.00   0.02   0.02) =   4.303%  kept
          QD    LYS+  65 - HA    HIS   22  16.79 +/- 1.64   1.540% *  7.4210% (0.69  1.00   0.02   0.02) =   0.783%  kept
          HG3   PRO   93 - HA    HIS   22  18.63 +/- 2.08   1.000% *  8.5362% (0.79  1.00   0.02   0.02) =   0.585%  kept
          QD    LYS+  38 - HA    HIS   22  22.49 +/- 0.88   0.261% *  9.4340% (0.87  1.00   0.02   0.02) =   0.168%
          HB3   MET   92 - HA    HIS   22  20.26 +/- 1.39   0.480% *  4.2014% (0.39  1.00   0.02   0.02) =   0.138%
          QD    LYS+ 102 - HA    HIS   22  24.24 +/- 1.69   0.186% *  9.8627% (0.91  1.00   0.02   0.02) =   0.126%
          HB2   LYS+ 121 - HA    HIS   22  26.51 +/- 1.53   0.096% *  7.0200% (0.65  1.00   0.02   0.02) =   0.046%
          QD    LYS+ 106 - HA    HIS   22  21.45 +/- 1.77   0.378% *  1.5768% (0.15  1.00   0.02   0.02) =   0.041%
          HB2   LEU  123 - HA    HIS   22  29.04 +/- 2.63   0.064% *  8.1833% (0.76  1.00   0.02   0.02) =   0.036%
          HD2   LYS+ 111 - HA    HIS   22  28.36 +/- 2.93   0.079% *  5.3768% (0.50  1.00   0.02   0.02) =   0.029%
    Distance limit 3.43 A violated in 20 structures by 4.75 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  10.41 +/- 0.18  98.064% * 67.5049% (0.39   0.02   0.02) =  99.059%  kept
          HN    LEU   40 - HA    HIS   22  20.10 +/- 0.59   1.936% * 32.4951% (0.19   0.02   0.02) =   0.941%  kept
    Distance limit 3.56 A violated in 20 structures by 6.81 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 = 5.39, residual support = 25.9:
      O   HN    VAL   24 - HA    THR   23   2.62 +/- 0.22 100.000% *100.0000% (0.64  10.0   5.39  25.90) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.34, residual support = 25.9:
          HN    VAL   24 - HB    THR   23   3.19 +/- 0.68 100.000% *100.0000% (0.49   5.34  25.90) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.71, residual support = 19.1:
          HN    THR   23 - QG2   THR   23   3.09 +/- 0.59  88.441% * 62.7099% (0.73   4.75  19.06) =  98.294%  kept
          HD2   HIS   22 - QG2   THR   23   5.80 +/- 0.57   2.706% * 35.4633% (0.76   2.55  21.33) =   1.700%  kept
          HD1   TRP   49 - QB    ALA   91   6.97 +/- 2.54   7.483% *  0.0343% (0.09   0.02   0.02) =   0.005%
          HE3   TRP   27 - QG2   THR   23   8.08 +/- 0.78   0.549% *  0.0809% (0.22   0.02   1.06) =   0.001%
          HN    LEU   67 - QG2   THR   39   9.64 +/- 0.86   0.154% *  0.0802% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.88 +/- 0.81   0.180% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.15 +/- 2.13   0.013% *  0.3260% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.84 +/- 1.13   0.128% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.93 +/- 1.37   0.011% *  0.2497% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.80 +/- 1.81   0.047% *  0.0556% (0.15   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.30 +/- 1.44   0.141% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.89 +/- 1.34   0.011% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.79 +/- 1.22   0.019% *  0.0619% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.41 +/- 1.69   0.066% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.48 +/- 0.85   0.002% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.07 +/- 0.61   0.010% *  0.0588% (0.16   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.30 +/- 1.39   0.014% *  0.0278% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.11 +/- 1.61   0.002% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  14.22 +/- 1.36   0.017% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.53 +/- 1.45   0.003% *  0.0292% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.96 +/- 1.36   0.002% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.68 +/- 1.50   0.001% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.21 +/- 1.19   0.002% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.19 +/- 2.03   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.92 +/- 0.70  99.960% * 91.4894% (0.34   1.83  10.83) =  99.999%  kept
          HG3   MET   96 - HA    VAL   83  15.42 +/- 4.16   0.027% *  2.9246% (1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    VAL   83  16.17 +/- 3.01   0.012% *  0.6511% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  24.71 +/- 4.28   0.001% *  2.6998% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  25.79 +/- 1.71   0.000% *  2.2351% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   3.05 +/- 0.65  99.883% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  12.20 +/- 3.24   0.071% *  0.0912% (0.90  1.00   0.02   0.17) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.19 +/- 1.00   0.038% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  18.50 +/- 3.17   0.005% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  20.71 +/- 4.98   0.003% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.13 +/- 1.93   0.001% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 86.9:
      O   HN    VAL   83 - HA    VAL   83   2.81 +/- 0.03  99.991% * 99.7575% (0.57  10.0   4.70  86.93) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.21 +/- 1.82   0.003% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  15.80 +/- 1.74   0.006% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   3.04 +/- 0.21  99.956% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  14.49 +/- 3.57   0.017% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  13.49 +/- 3.26   0.025% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  21.19 +/- 4.34   0.002% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  25.62 +/- 3.80   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  27.82 +/- 4.01   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.89, residual support = 12.3:
          HD1   TRP   87 - HA    VAL   83   5.13 +/- 0.84  88.314% * 85.3380% (0.73   3.93  12.33) =  98.551%  kept
          HE3   TRP   87 - HA    VAL   83   7.74 +/- 0.95   8.677% * 12.5902% (0.28   1.51  12.33) =   1.429%  kept
          HN    TRP   27 - HA    VAL   83  11.32 +/- 3.04   2.120% *  0.5660% (0.95   0.02   1.62) =   0.016%
          HN    ALA   91 - HA    VAL   83  11.63 +/- 0.74   0.794% *  0.3871% (0.65   0.02   0.02) =   0.004%
          HN    THR   39 - HA    VAL   83  23.30 +/- 4.06   0.018% *  0.4573% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  22.29 +/- 1.50   0.019% *  0.3388% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  22.24 +/- 4.26   0.025% *  0.2041% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  21.93 +/- 4.61   0.033% *  0.1184% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 14 structures by 1.32 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.402, support = 1.89, residual support = 8.97:
          QD2   LEU   80 - HA    VAL   24   3.17 +/- 2.33  80.056% * 66.2553% (0.41   1.91   9.00) =  95.205%  kept
          QD1   LEU   80 - HA    VAL   24   4.88 +/- 2.50   9.260% * 27.3478% (0.22   1.46   9.00) =   4.546%  kept
          QD1   LEU   73 - HA    VAL   24   6.30 +/- 0.97   9.975% *  1.3503% (0.80   0.02   0.02) =   0.242%
          QG2   VAL   41 - HA    VAL   24   9.39 +/- 0.80   0.392% *  0.6329% (0.38   0.02   0.02) =   0.004%
          QD2   LEU   98 - HA    VAL   24  10.85 +/- 1.93   0.227% *  0.3754% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    VAL   24  15.27 +/- 1.95   0.047% *  1.3503% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    VAL   24  16.67 +/- 1.69   0.021% *  1.5566% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    VAL   24  19.25 +/- 2.59   0.008% *  0.7560% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.16 +/- 2.00   0.013% *  0.3754% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 2 structures by 0.66 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.3:
      O T HB    VAL   24 - HA    VAL   24   2.68 +/- 0.27  99.962% * 98.9275% (1.00  10.0 10.00   3.97  65.32) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.37 +/- 0.40   0.036% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  23.08 +/- 1.51   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.73 +/- 1.79   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.81 +/- 2.02   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.63 +/- 2.03   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.2:
        T HB3   TRP   27 - HA    VAL   24   3.19 +/- 0.40  99.969% * 99.7179% (1.00 10.00   3.00  23.20) = 100.000%  kept
          HB3   PHE   60 - HA    VAL   24  16.41 +/- 1.99   0.015% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    VAL   24  18.12 +/- 1.58   0.005% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  18.07 +/- 2.36   0.006% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.54 +/- 0.93   0.004% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.17 +/- 0.59   0.002% *  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 = 65.3:
      O   HN    VAL   24 - HA    VAL   24   2.81 +/- 0.02 100.000% *100.0000% (0.97  10.0   4.34  65.32) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.888, support = 5.65, residual support = 33.2:
      O   HN    GLU-  25 - HA    VAL   24   3.58 +/- 0.02  61.921% * 86.2674% (0.92  10.0   5.66  35.16) =  91.186%  kept
          HN    ASN   28 - HA    VAL   24   3.91 +/- 0.22  37.840% * 13.6442% (0.53   1.0   5.55  12.85) =   8.813%  kept
          HN    ASP-  44 - HA    VAL   24   9.72 +/- 1.25   0.240% *  0.0884% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.01, residual support = 23.2:
          HN    TRP   27 - HA    VAL   24   3.08 +/- 0.09  99.864% * 94.6282% (0.45   3.01  23.20) =  99.998%  kept
          HD1   TRP   87 - HA    VAL   24  10.84 +/- 2.80   0.116% *  1.3879% (0.99   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   24  16.10 +/- 0.43   0.005% *  1.2147% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.34 +/- 0.41   0.003% *  1.3726% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  19.24 +/- 2.57   0.002% *  0.9619% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.46 +/- 1.10   0.007% *  0.2452% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  18.53 +/- 1.61   0.002% *  0.1895% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.25, residual support = 65.3:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.986% * 98.9402% (0.98  10.0 10.00   3.25  65.32) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.01 +/- 0.38   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.36 +/- 0.33   0.007% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.46 +/- 1.60   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.36 +/- 1.70   0.001% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.33 +/- 1.39   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.11 +/- 2.29   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.54 +/- 1.46   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.56 +/- 1.49   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.83 +/- 2.43   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.75 +/- 3.77   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.74 +/- 2.96   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 65.3:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.995% * 99.6470% (1.00  10.0   3.26  65.32) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.37 +/- 1.23   0.004% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.33 +/- 1.39   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  22.00 +/- 2.29   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.11 +/- 2.29   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.18 +/- 1.21   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  26.84 +/- 4.36   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.45 +/- 2.01   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.819, support = 1.74, residual support = 6.81:
          QD2   LEU   80 - HB    VAL   24   3.31 +/- 1.94  61.077% * 55.2242% (0.80   1.91   9.00) =  72.247%  kept
          QG1   VAL   83 - HB    VAL   24   4.14 +/- 2.70  31.669% * 40.8470% (0.87   1.31   1.12) =  27.708%  kept
          QD1   LEU   73 - HB    VAL   24   8.43 +/- 1.06   6.253% *  0.2967% (0.41   0.02   0.02) =   0.040%
          QG2   ILE   89 - HB    VAL   24  10.22 +/- 1.26   0.372% *  0.1799% (0.25   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   PRO   68  13.03 +/- 2.13   0.154% *  0.4120% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB    VAL   24  16.79 +/- 2.11   0.124% *  0.2967% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  11.33 +/- 0.88   0.197% *  0.1755% (0.24   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB    VAL   24  20.42 +/- 2.97   0.025% *  0.5515% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.25 +/- 1.39   0.040% *  0.3262% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.69 +/- 2.17   0.017% *  0.6964% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.24 +/- 0.78   0.068% *  0.1755% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.22 +/- 2.25   0.003% *  0.3418% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.59 +/- 2.87   0.001% *  0.3703% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  22.90 +/- 2.01   0.001% *  0.1064% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.887, support = 3.99, residual support = 65.0:
      O T HA    VAL   24 - HB    VAL   24   2.68 +/- 0.27  90.312% * 89.0301% (0.90  10.0 10.00   3.97  65.32) =  98.776%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.12   9.685% * 10.2842% (0.10  10.0  1.00   5.47  35.77) =   1.224%  kept
        T HA    VAL   24 - HB2   PRO   68  23.08 +/- 1.51   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB2   PRO   68  16.28 +/- 1.25   0.002% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.52 +/- 0.45   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.56 +/- 1.12   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 65.3:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  99.989% * 98.6521% (0.92  10.0 10.00   3.25  65.32) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.90 +/- 0.56   0.010% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  21.46 +/- 1.60   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.88 +/- 1.98   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  17.53 +/- 1.90   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.78 +/- 1.47   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.95 +/- 1.86   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  23.21 +/- 3.79   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.356, support = 5.81, residual support = 32.7:
      O   HN    ASN   69 - HB2   PRO   68   3.54 +/- 0.71  47.133% * 44.2807% (0.20  10.0   5.85  31.18) =  54.235%  kept
          HN    GLU-  25 - HB    VAL   24   3.53 +/- 0.53  50.178% * 33.9842% (0.53   1.0   5.89  35.16) =  44.313%  kept
          HN    ASN   28 - HB    VAL   24   5.74 +/- 0.28   2.626% * 21.2744% (0.92   1.0   2.10  12.85) =   1.452%  kept
          HN    ASP-  44 - HB    VAL   24  11.53 +/- 1.62   0.057% *  0.1242% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.63 +/- 0.68   0.004% *  0.0735% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.06 +/- 1.56   0.001% *  0.1198% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.26 +/- 1.13   0.000% *  0.0749% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.16 +/- 1.54   0.000% *  0.0683% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.3:
      O   HN    VAL   24 - HB    VAL   24   2.35 +/- 0.29 100.000% * 99.9409% (0.38  10.0   4.68  65.32) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.97 +/- 1.48   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 = 65.3:
          HN    VAL   24 - QG1   VAL   24   2.41 +/- 0.60 100.000% *100.0000% (0.73   4.09  65.32) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.05, residual support = 127.2:
      O   HN    GLU-  25 - HB2   GLU-  25   2.82 +/- 0.43  97.589% * 99.5455% (0.41  10.0   6.05 127.25) =  99.994%  kept
          HN    ASN   28 - HB2   GLU-  25   5.58 +/- 0.21   2.404% *  0.2373% (0.98   1.0   0.02   2.74) =   0.006%
          HN    ASP-  44 - HB2   GLU-  25  14.71 +/- 0.83   0.007% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.40 +/- 0.95   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.88, residual support = 127.2:
      O   HN    GLU-  25 - HB3   GLU-  25   2.63 +/- 0.72  97.528% * 99.5455% (0.41  10.0   5.88 127.25) =  99.994%  kept
          HN    ASN   28 - HB3   GLU-  25   5.74 +/- 0.22   2.466% *  0.2373% (0.98   1.0   0.02   2.74) =   0.006%
          HN    ASP-  44 - HB3   GLU-  25  14.95 +/- 1.08   0.006% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.92 +/- 1.03   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 28.5:
          HN    THR   26 - HB3   GLU-  25   3.21 +/- 0.13  99.998% * 98.7456% (0.34   5.26  28.55) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.27 +/- 0.90   0.002% *  0.8413% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.11 +/- 2.15   0.000% *  0.4131% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.95:
          HN    SER   85 - HA    SER   82   3.59 +/- 0.22  98.313% * 92.1173% (0.26   2.96   2.96) =  99.983%  kept
          HN    GLN   32 - HA    GLU-  25   8.96 +/- 0.33   0.451% *  2.4019% (1.00   0.02   0.02) =   0.012%
          HN    LEU   80 - HA    SER   82   7.83 +/- 0.17   0.961% *  0.2401% (0.10   0.02   0.15) =   0.003%
          HN    LEU   80 - HA    GLU-  25  10.81 +/- 0.99   0.160% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  14.15 +/- 2.35   0.040% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.43 +/- 0.32   0.061% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  19.51 +/- 3.74   0.007% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  22.48 +/- 3.58   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.91 +/- 1.95   0.005% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.35 +/- 1.18   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.441, support = 5.73, residual support = 120.6:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  86.341% * 73.5766% (0.41  10.0   5.88 127.25) =  94.699%  kept
          HN    ASN   28 - HA    GLU-  25   3.72 +/- 0.22  13.608% * 26.1303% (0.98   1.0   2.98   2.74) =   5.301%  kept
          HN    GLU-  25 - HA    SER   82  11.07 +/- 2.59   0.034% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  13.72 +/- 3.34   0.010% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  13.93 +/- 1.23   0.005% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.77 +/- 2.18   0.002% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  24.06 +/- 1.00   0.000% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  30.81 +/- 2.29   0.000% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.307, support = 4.24, residual support = 8.79:
          HN    ALA   84 - HA    SER   82   4.17 +/- 0.15  65.080% * 54.7094% (0.20   5.35  11.04) =  72.941%  kept
          HD21  ASN   28 - HA    GLU-  25   4.68 +/- 0.15  32.947% * 40.0716% (0.61   1.27   2.74) =  27.046%  kept
          HZ2   TRP   87 - HA    GLU-  25  12.01 +/- 4.05   0.700% *  0.4283% (0.41   0.02   0.02) =   0.006%
          HD21  ASN   28 - HA    SER   82  12.00 +/- 3.90   0.426% *  0.2047% (0.20   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  12.44 +/- 2.02   0.126% *  0.6319% (0.61   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    GLU-  25  10.84 +/- 1.33   0.309% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  10.02 +/- 1.16   0.397% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  23.66 +/- 1.24   0.002% *  1.0326% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.81 +/- 2.11   0.001% *  0.9855% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.44 +/- 2.00   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.92 +/- 2.55   0.001% *  0.6319% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  22.08 +/- 4.47   0.006% *  0.0751% (0.07   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  26.37 +/- 0.98   0.001% *  0.3345% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  25.14 +/- 2.15   0.002% *  0.2047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.985, support = 0.75, residual support = 2.72:
          HB2   ASN   28 - HA    GLU-  25   3.60 +/- 0.35  96.157% * 72.2547% (0.99   0.75   2.74) =  99.212%  kept
          HB2   ASP-  86 - HA    SER   82   6.89 +/- 0.74   3.134% * 17.3809% (0.24   0.76   0.02) =   0.778%  kept
          QE    LYS+  33 - HA    GLU-  25  10.84 +/- 1.35   0.218% *  1.9397% (1.00   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HA    GLU-  25  13.13 +/- 2.72   0.075% *  1.4116% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    SER   82  11.11 +/- 0.94   0.137% *  0.3820% (0.20   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    GLU-  25  12.22 +/- 1.10   0.078% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  14.73 +/- 3.29   0.047% *  0.6242% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.59 +/- 0.92   0.026% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  15.90 +/- 0.87   0.016% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.60 +/- 0.62   0.103% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  22.42 +/- 1.55   0.002% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.98 +/- 2.92   0.005% *  0.6283% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  25.83 +/- 1.26   0.001% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  24.38 +/- 4.56   0.002% *  0.2363% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.34 +/- 1.16   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  31.87 +/- 2.35   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.8, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.49 +/- 0.21  82.258% * 79.0547% (0.32   2.80  11.04) =  99.890%  kept
          HB3   LEU   80 - HA    SER   82   6.16 +/- 0.30  13.296% *  0.2774% (0.16   0.02   0.15) =   0.057%
          HB3   LEU   80 - HA    GLU-  25   9.34 +/- 2.14   1.813% *  0.8565% (0.49   0.02   0.02) =   0.024%
          HB2   LEU   31 - HA    GLU-  25   8.92 +/- 0.37   1.368% *  0.6002% (0.34   0.02   0.02) =   0.013%
          QB    ALA   84 - HA    GLU-  25  12.16 +/- 1.36   0.252% *  1.7440% (0.99   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    GLU-  25  11.10 +/- 1.02   0.423% *  0.7234% (0.41   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    GLU-  25  12.28 +/- 1.74   0.276% *  0.4892% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  16.97 +/- 2.59   0.041% *  1.6645% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  16.84 +/- 1.48   0.034% *  1.2777% (0.73   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLU-  25  16.77 +/- 1.09   0.033% *  0.6002% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  20.66 +/- 1.95   0.010% *  1.7557% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.25 +/- 1.78   0.025% *  0.5687% (0.32   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  18.23 +/- 1.72   0.025% *  0.4139% (0.24   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  17.20 +/- 2.44   0.036% *  0.2343% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  21.47 +/- 3.87   0.015% *  0.5392% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  18.06 +/- 3.85   0.039% *  0.1944% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  22.51 +/- 2.35   0.006% *  1.1383% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.32 +/- 1.50   0.006% *  1.0672% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  23.42 +/- 2.11   0.005% *  0.7889% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.38 +/- 3.89   0.002% *  1.5263% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  23.60 +/- 3.17   0.006% *  0.3687% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  24.30 +/- 1.39   0.003% *  0.6002% (0.34   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  22.18 +/- 2.32   0.007% *  0.1944% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  25.14 +/- 1.37   0.003% *  0.3457% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  23.22 +/- 3.54   0.006% *  0.1585% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  31.11 +/- 2.90   0.001% *  0.9257% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  29.87 +/- 2.68   0.001% *  0.4892% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  28.07 +/- 4.07   0.002% *  0.2555% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  28.80 +/- 3.50   0.002% *  0.2999% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  26.40 +/- 2.99   0.003% *  0.1585% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  32.08 +/- 2.59   0.001% *  0.4944% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.61 +/- 1.50   0.001% *  0.1944% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 11 structures by 0.98 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.656, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  18.92 +/- 2.29  23.298% * 22.9376% (0.92   0.02   0.02) =  45.208%  kept
          QG2   VAL  108 - HA    SER   82  17.45 +/- 2.37  38.588% *  7.4304% (0.30   0.02   0.02) =  24.255%  kept
          HB2   LEU  104 - HA    GLU-  25  22.94 +/- 2.26   7.365% * 19.8967% (0.80   0.02   0.02) =  12.397%  kept
          QD1   ILE  119 - HA    GLU-  25  23.00 +/- 2.40   7.589% * 12.0948% (0.49   0.02   0.02) =   7.765%  kept
          HG    LEU   63 - HA    GLU-  25  23.99 +/- 2.00   6.308% *  5.5320% (0.22   0.02   0.02) =   2.952%  kept
          HB2   LEU  104 - HA    SER   82  26.50 +/- 3.41   3.672% *  6.4453% (0.26   0.02   0.02) =   2.002%  kept
          HG3   LYS+ 112 - HA    GLU-  25  30.43 +/- 3.78   1.552% * 15.0711% (0.61   0.02   0.02) =   1.979%  kept
          QD1   ILE  119 - HA    SER   82  23.94 +/- 1.62   5.336% *  3.9180% (0.16   0.02   0.02) =   1.769%  kept
          HG3   LYS+ 112 - HA    SER   82  28.17 +/- 4.14   2.753% *  4.8821% (0.20   0.02   0.02) =   1.137%  kept
          HG    LEU   63 - HA    SER   82  26.53 +/- 2.08   3.538% *  1.7920% (0.07   0.02   0.02) =   0.536%  kept
    Distance limit 3.88 A violated in 20 structures by 10.69 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.244, support = 1.74, residual support = 8.23:
          HB2   GLU-  29 - HA    THR   26   2.37 +/- 0.45  94.634% * 13.7246% (0.22   0.96   1.51) =  75.126%  kept
          HB2   GLU-  25 - HA    THR   26   4.20 +/- 0.37   5.351% * 80.3544% (0.31   4.07  28.55) =  24.873%  kept
          HB3   ASP-  76 - HA    THR   26  12.65 +/- 1.01   0.007% *  1.1461% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  16.12 +/- 0.97   0.002% *  1.1461% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.45 +/- 1.45   0.003% *  0.5254% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  20.31 +/- 2.16   0.001% *  1.2089% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.56 +/- 0.85   0.001% *  0.6221% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.88 +/- 1.36   0.000% *  0.8779% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  24.28 +/- 1.44   0.000% *  0.3944% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.57, residual support = 35.2:
      O   HN    THR   26 - HA    THR   26   2.84 +/- 0.02  99.995% * 99.6670% (0.34  10.0   4.57  35.16) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.23 +/- 0.78   0.004% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.52 +/- 1.31   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.471, support = 1.27, residual support = 3.25:
          HN    GLN   30 - HA    THR   26   4.15 +/- 0.28  18.899% * 79.0370% (0.69   1.54   4.76) =  53.495%  kept
          HN    GLU-  29 - HA    THR   26   3.21 +/- 0.12  81.086% * 16.0141% (0.22   0.96   1.51) =  46.504%  kept
          HN    GLU-  14 - HA    THR   26  16.29 +/- 2.45   0.007% *  1.4616% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  16.95 +/- 2.46   0.005% *  0.9044% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  19.27 +/- 1.19   0.002% *  1.2455% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  23.54 +/- 3.09   0.001% *  1.3373% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.484, support = 2.1, residual support = 11.3:
          HN    THR   23 - HB    THR   26   3.77 +/- 0.09  61.863% * 71.0740% (0.38   2.47  13.66) =  82.386%  kept
          HD2   HIS   22 - HB    THR   26   4.36 +/- 1.00  38.108% * 24.6661% (0.99   0.33   0.02) =  17.613%  kept
          HD21  ASN   35 - HB    THR   26  15.72 +/- 0.85   0.013% *  1.0513% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  16.44 +/- 1.32   0.010% *  0.5220% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  19.97 +/- 1.82   0.003% *  1.5169% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.10 +/- 0.78   0.003% *  1.1696% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 22.4:
          HN    TRP   27 - HB    THR   26   2.95 +/- 0.09  99.977% * 98.0922% (0.84   4.47  22.36) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  15.55 +/- 2.39   0.006% *  0.4555% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.47 +/- 0.55   0.003% *  0.4710% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.03 +/- 0.55   0.006% *  0.2556% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  18.37 +/- 1.16   0.002% *  0.2159% (0.41   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.49 +/- 0.89   0.001% *  0.2556% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  18.25 +/- 3.30   0.003% *  0.0920% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.15 +/- 2.17   0.001% *  0.1621% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.2:
      O   HN    THR   26 - HB    THR   26   2.23 +/- 0.12  99.999% * 99.9615% (0.80  10.0   4.16  35.16) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.27 +/- 0.81   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.181, support = 0.748, residual support = 2.72:
          HA    CYS   21 - QG2   THR   26   1.94 +/- 0.35  99.741% * 23.7178% (0.18   0.75   2.74) =  99.222%  kept
          HA    ALA   20 - QG2   THR   26   5.43 +/- 0.36   0.250% * 74.1059% (0.87   0.47   0.02) =   0.778%  kept
          HA    LEU   71 - QG2   THR   26   9.82 +/- 0.78   0.009% *  0.5572% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  17.94 +/- 1.45   0.000% *  1.6191% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.887, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.30 +/- 1.70  65.536% * 18.7520% (0.92   0.02   0.02) =  73.935%  kept
          HG2   MET   11 - QG2   THR   26  15.65 +/- 3.63  12.661% * 19.2160% (0.95   0.02   0.02) =  14.637%  kept
          HB2   PRO   93 - QG2   THR   26  15.79 +/- 1.60   6.974% * 12.3210% (0.61   0.02   0.02) =   5.169%  kept
          HG2   PRO   58 - QG2   THR   26  20.00 +/- 1.19   1.736% * 17.6208% (0.87   0.02   0.02) =   1.841%  kept
          HG3   PRO   52 - QG2   THR   26  20.33 +/- 1.77   1.279% * 17.6208% (0.87   0.02   0.02) =   1.356%  kept
          HB2   PRO   68 - QG2   THR   26  16.02 +/- 1.45   5.994% *  3.1343% (0.15   0.02   0.02) =   1.130%  kept
          HB    VAL  108 - QG2   THR   26  18.75 +/- 2.00   3.640% *  5.0653% (0.25   0.02   0.02) =   1.109%  kept
          HB2   ARG+  54 - QG2   THR   26  20.76 +/- 2.30   2.180% *  6.2698% (0.31   0.02   0.02) =   0.822%  kept
    Distance limit 3.39 A violated in 20 structures by 6.08 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 = 4.76:
        T HG2   GLN   30 - QG2   THR   26   2.89 +/- 0.55  99.514% * 99.5048% (0.99 10.00   0.75   4.76) =  99.999%  kept
          HB3   ASN   28 - QG2   THR   26   7.49 +/- 0.17   0.482% *  0.2584% (0.97  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   THR   26  19.38 +/- 2.32   0.002% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.09 +/- 2.85   0.002% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.911, support = 3.57, residual support = 14.6:
          QD1   LEU   73 - HB3   TRP   27   3.72 +/- 1.21  46.365% * 56.0439% (1.00   3.64  20.11) =  55.339%  kept
          QD2   LEU   80 - HB3   TRP   27   4.50 +/- 2.93  48.775% * 42.9892% (0.80   3.49   7.82) =  44.655%  kept
          QG1   VAL   83 - HB3   TRP   27   6.76 +/- 3.39   4.835% *  0.0539% (0.18   0.02   1.62) =   0.006%
          QD1   LEU   63 - HB3   TRP   27  13.17 +/- 1.94   0.012% *  0.3077% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  14.41 +/- 1.74   0.006% *  0.1742% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.18 +/- 1.91   0.005% *  0.1742% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  17.51 +/- 2.46   0.002% *  0.2570% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.2:
        T HA    VAL   24 - HB3   TRP   27   3.19 +/- 0.40  99.833% * 98.5200% (0.76 10.00   3.00  23.20) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  16.17 +/- 0.66   0.008% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27  10.67 +/- 3.78   0.150% *  0.0174% (0.14  1.00   0.02   1.62) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  17.05 +/- 2.60   0.009% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 23.2:
          HA    VAL   24 - HB2   TRP   27   1.92 +/- 0.18  99.999% * 99.1878% (0.97   3.00  23.20) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.69 +/- 0.45   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  16.70 +/- 1.52   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  21.57 +/- 1.10   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 = 0.941, support = 3.56, residual support = 11.8:
          QD2   LEU   80 - HB2   TRP   27   4.25 +/- 2.54  58.669% * 45.5014% (0.98   3.45   7.82) =  64.508%  kept
          QD1   LEU   73 - HB2   TRP   27   4.84 +/- 1.07  29.563% * 47.0577% (0.90   3.90  20.11) =  33.617%  kept
          QG1   VAL   83 - HB2   TRP   27   6.02 +/- 3.15  11.715% *  6.6247% (0.38   1.31   1.62) =   1.875%  kept
          QD1   LEU   63 - HB2   TRP   27  14.47 +/- 1.97   0.020% *  0.2414% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.04 +/- 1.88   0.017% *  0.2249% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  18.73 +/- 2.55   0.005% *  0.2668% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.73 +/- 1.75   0.010% *  0.0831% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.19, residual support = 18.4:
          QD1   LEU   31 - HA    ASN   28   2.77 +/- 0.58 100.000% *100.0000% (0.76   3.19  18.42) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.07, residual support = 91.6:
      O T HA    GLU-  29 - HG3   GLU-  29   3.51 +/- 0.21  99.528% * 97.0747% (0.22  10.0 10.00   5.07  91.60) =  99.994%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.37 +/- 0.89   0.396% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          HB2   SER   37 - HG3   GLU-  29  14.83 +/- 1.14   0.023% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.42 +/- 1.64   0.007% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  15.30 +/- 3.34   0.024% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.14 +/- 2.15   0.005% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.19 +/- 1.45   0.016% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.44 +/- 2.54   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 101.9:
      O   HD1   TRP   27 - HB2   TRP   27   2.72 +/- 0.24  99.903% * 99.7286% (0.98  10.0   3.66 101.93) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   8.90 +/- 0.56   0.094% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  17.57 +/- 2.24   0.002% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  20.89 +/- 2.01   0.001% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 101.9:
      O   HN    TRP   27 - HB2   TRP   27   2.15 +/- 0.13  99.984% * 99.5184% (0.76  10.0   5.41 101.93) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  11.75 +/- 3.16   0.009% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.44 +/- 0.40   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.53 +/- 0.38   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  14.03 +/- 4.13   0.004% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.37 +/- 1.05   0.001% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.93 +/- 2.53   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.79 +/- 1.71   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 51.9:
          HN    ASN   28 - HB2   TRP   27   2.90 +/- 0.32  93.828% * 99.5642% (0.92   5.59  51.90) =  99.996%  kept
          HN    GLU-  25 - HB2   TRP   27   4.67 +/- 0.14   5.871% *  0.0595% (0.15   0.02   0.27) =   0.004%
          HN    ASP-  44 - HB2   TRP   27   8.89 +/- 1.26   0.299% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.12 +/- 1.16   0.001% *  0.3088% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 101.9:
      O   HE3   TRP   27 - HB3   TRP   27   2.86 +/- 0.25  96.971% * 99.4719% (0.76  10.0   4.50 101.93) =  99.996%  kept
          HN    THR   23 - HB3   TRP   27   5.33 +/- 0.44   2.842% *  0.1276% (0.98   1.0   0.02   1.06) =   0.004%
          HD2   HIS   22 - HB3   TRP   27   8.47 +/- 0.42   0.170% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.16 +/- 1.52   0.013% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.02 +/- 1.23   0.002% *  0.0894% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.94 +/- 1.49   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.09 +/- 1.54   0.001% *  0.1087% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 101.9:
      O   HD1   TRP   27 - HB3   TRP   27   3.66 +/- 0.13  98.673% * 99.7286% (0.98  10.0   4.09 101.93) =  99.999%  kept
          HE21  GLN   30 - HB3   TRP   27   7.75 +/- 0.71   1.302% *  0.0939% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB3   TRP   27  16.21 +/- 2.14   0.021% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  20.47 +/- 1.83   0.004% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 101.9:
      O   HN    TRP   27 - HB3   TRP   27   2.90 +/- 0.26  99.915% * 99.5184% (0.76  10.0   5.64 101.93) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  11.94 +/- 3.52   0.040% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  14.82 +/- 0.67   0.007% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.27 +/- 0.31   0.008% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  14.35 +/- 4.41   0.015% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.20 +/- 1.54   0.006% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.11 +/- 1.16   0.004% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.32 +/- 2.57   0.005% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 51.9:
          HN    ASN   28 - HB3   TRP   27   4.10 +/- 0.14  99.986% * 99.4979% (0.65   6.07  51.90) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.64 +/- 1.29   0.014% *  0.5021% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.81, residual support = 18.4:
          HN    LEU   31 - HA    ASN   28   3.20 +/- 0.12  99.940% * 95.4149% (0.22   3.81  18.42) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.76 +/- 0.26   0.025% *  2.2032% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.15 +/- 0.21   0.034% *  0.3936% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.77 +/- 1.34   0.001% *  1.3633% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.94 +/- 1.27   0.001% *  0.6249% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.6, residual support = 8.76:
          HN    GLN   30 - HA    ASN   28   3.73 +/- 0.08  99.411% * 93.6358% (0.18   4.60   8.76) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   8.92 +/- 0.28   0.541% *  0.5172% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  14.45 +/- 1.67   0.036% *  2.1446% (0.92   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASN   28  18.98 +/- 2.04   0.007% *  1.6870% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASN   28  21.49 +/- 3.83   0.005% *  2.0153% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 6.96, residual support = 106.5:
      O   HN    ASN   28 - HB2   ASN   28   2.67 +/- 0.12  99.984% * 99.7686% (0.65  10.0   6.96 106.49) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  12.03 +/- 1.08   0.014% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  18.21 +/- 1.15   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  22.19 +/- 1.03   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.18, residual support = 106.5:
      O   HD22  ASN   28 - HB3   ASN   28   3.23 +/- 0.34  99.994% * 99.9746% (0.98  10.0   4.18 106.49) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.04 +/- 1.12   0.006% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.6, residual support = 106.5:
      O   HD21  ASN   28 - HB3   ASN   28   3.81 +/- 0.25  99.096% * 99.7595% (0.87  10.0   3.60 106.49) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28  11.39 +/- 4.97   0.881% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  16.45 +/- 1.54   0.019% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.12 +/- 1.32   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.39 +/- 1.71   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.506, support = 5.43, residual support = 31.3:
          HN    GLU-  29 - HB3   ASN   28   3.59 +/- 0.15  88.757% * 47.0618% (0.45   5.76  34.48) =  87.799%  kept
          HN    GLN   30 - HB3   ASN   28   5.08 +/- 0.07  11.187% * 51.8873% (0.92   3.08   8.76) =  12.201%  kept
          HN    ASP-  86 - HB3   ASN   28  14.56 +/- 3.54   0.038% *  0.3164% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  16.18 +/- 1.78   0.014% *  0.2065% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.56 +/- 2.19   0.003% *  0.2921% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  23.83 +/- 3.89   0.002% *  0.2359% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.6, residual support = 106.5:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  98.499% * 99.8777% (0.92  10.0   6.60 106.49) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.16 +/- 0.21   1.458% *  0.0167% (0.15   1.0   0.02   2.74) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.33 +/- 1.19   0.041% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  22.10 +/- 1.10   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.67:
          HN    GLN   30 - HB2   ASN   28   4.48 +/- 0.06  98.159% *  7.8959% (0.38   0.02   8.76) =  98.996%  kept
          HN    GLN   30 - HB2   ASN   35   9.61 +/- 1.00   1.214% *  2.4562% (0.12   0.02   0.02) =   0.381%
          HN    LYS+  99 - HB2   ASN   35  11.77 +/- 1.44   0.402% *  6.5298% (0.31   0.02   0.02) =   0.335%
          HN    ASP-  86 - HB2   ASN   28  14.81 +/- 3.10   0.117% *  6.4934% (0.31   0.02   0.02) =   0.097%
          HN    LYS+  99 - HB2   ASN   28  17.33 +/- 1.63   0.035% * 20.9915% (1.00   0.02   0.02) =   0.094%
          HN    GLU-  14 - HB2   ASN   28  19.83 +/- 2.25   0.017% * 19.9013% (0.95   0.02   0.02) =   0.044%
          HN    GLU-  14 - HB2   ASN   35  18.67 +/- 2.24   0.026% *  6.1907% (0.29   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB2   ASN   28  24.17 +/- 3.72   0.006% * 20.9915% (1.00   0.02   0.02) =   0.017%
          HE1   HIS  122 - HB2   ASN   35  22.18 +/- 4.29   0.016% *  6.5298% (0.31   0.02   0.02) =   0.013%
          HN    ASP-  86 - HB2   ASN   35  22.87 +/- 4.89   0.009% *  2.0199% (0.10   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 20 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 106.5:
      O   HD21  ASN   28 - HB2   ASN   28   3.95 +/- 0.29  99.150% * 99.5979% (0.61  10.0   3.87 106.49) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28  11.91 +/- 4.63   0.681% *  0.1315% (0.80   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   28  16.19 +/- 1.59   0.028% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  12.83 +/- 1.20   0.096% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  18.24 +/- 6.65   0.035% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.11 +/- 2.00   0.011% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.46, residual support = 19.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  96.827% * 98.9280% (0.49  10.0   5.46  19.29) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.14   2.014% *  0.0222% (0.11   1.0   0.02   1.65) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.52 +/- 0.36   1.024% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.19 +/- 2.32   0.040% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.30 +/- 2.39   0.010% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.06 +/- 1.25   0.008% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.46 +/- 1.17   0.035% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.69 +/- 0.71   0.018% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.41 +/- 3.21   0.006% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.16 +/- 2.23   0.007% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  24.02 +/- 3.53   0.001% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  22.12 +/- 3.61   0.002% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.80 +/- 3.92   0.002% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.55 +/- 4.03   0.004% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.78 +/- 3.88   0.001% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.448, support = 5.14, residual support = 86.1:
      O   HN    GLU-  29 - HB2   GLU-  29   2.33 +/- 0.42  88.828% * 60.0993% (0.41  10.0   5.07  91.60) =  92.374%  kept
          HN    GLN   30 - HB2   GLU-  29   3.40 +/- 0.23  11.168% * 39.4674% (0.90   1.0   6.02  19.29) =   7.626%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.26 +/- 2.51   0.003% *  0.1221% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  18.05 +/- 2.85   0.001% *  0.1221% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.53 +/- 1.21   0.001% *  0.0887% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  23.89 +/- 3.24   0.000% *  0.1004% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 4.76, residual support = 79.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.30 +/- 0.35  70.234% * 66.1288% (0.41  10.0   4.79  91.60) =  82.623%  kept
          HN    GLN   30 - HB3   GLU-  29   3.88 +/- 0.36  29.439% * 33.1816% (0.90   1.0   4.60  19.29) =  17.377%  kept
          HN    GLN   30 - QB    GLU-  36   9.11 +/- 0.45   0.180% *  0.0447% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.36 +/- 0.56   0.084% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.84 +/- 2.50   0.012% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.56 +/- 2.20   0.029% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.82 +/- 0.64   0.014% *  0.0302% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  19.25 +/- 2.95   0.002% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.59 +/- 1.14   0.003% *  0.0976% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  24.26 +/- 3.18   0.001% *  0.1105% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  21.00 +/- 3.22   0.002% *  0.0342% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  23.35 +/- 3.66   0.001% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.921, support = 4.38, residual support = 91.2:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.80 +/- 0.21  34.803% * 95.1378% (0.99  10.0 10.00   4.39  91.60) =  92.661%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.50 +/- 0.06  65.159% *  4.0244% (0.04  10.0 10.00   4.30  86.69) =   7.338%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.42 +/- 0.88   0.027% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.34 +/- 0.88   0.008% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  17.94 +/- 3.21   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.61 +/- 0.91   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.00 +/- 1.02   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.68 +/- 4.02   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.29 +/- 1.00   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.98 +/- 0.92   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.52 +/- 0.74   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  27.31 +/- 2.34   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.90 +/- 0.84   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.40 +/- 1.24   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.51 +/- 1.72   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  23.07 +/- 0.94   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.173, residual support = 0.173:
          QD    LYS+  33 - HA    GLN   30   4.03 +/- 1.05  99.831% * 72.6834% (0.95   0.17   0.17) =  99.991%  kept
          HD2   LYS+  74 - HA    GLN   30  14.18 +/- 0.86   0.143% *  3.3336% (0.38   0.02   0.02) =   0.007%
          QB    ALA   57 - HA    GLN   30  19.34 +/- 1.40   0.018% *  6.1012% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  26.59 +/- 4.37   0.003% *  8.4022% (0.95   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  27.44 +/- 2.23   0.004% *  3.0298% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.20 +/- 2.17   0.001% *  6.4498% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 5 structures by 0.61 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 = 0.158, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.81 +/- 1.53  99.514% *  8.2693% (0.15   0.02   0.02) =  98.640%  kept
          QD2   LEU  123 - HA    GLN   30  22.41 +/- 3.79   0.119% * 48.0646% (0.90   0.02   0.02) =   0.683%  kept
          HB3   LEU  104 - HA    GLN   30  19.47 +/- 1.58   0.168% * 22.0331% (0.41   0.02   0.02) =   0.443%
          QD1   LEU  123 - HA    GLN   30  21.02 +/- 3.09   0.142% *  8.2693% (0.15   0.02   0.02) =   0.140%
          HG3   LYS+ 121 - HA    GLN   30  23.70 +/- 1.94   0.058% * 13.3638% (0.25   0.02   0.02) =   0.093%
    Distance limit 3.92 A violated in 14 structures by 1.95 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.24, residual support = 154.4:
      O   HN    GLN   30 - HA    GLN   30   2.84 +/- 0.01  97.575% * 99.6773% (0.98  10.0   6.24 154.37) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.26 +/- 0.03   2.400% *  0.0576% (0.57   1.0   0.02  19.29) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.24 +/- 2.21   0.018% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.97 +/- 1.04   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  19.69 +/- 3.37   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  20.25 +/- 3.27   0.001% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.32, residual support = 154.4:
      O   HN    GLN   30 - HB2   GLN   30   2.84 +/- 0.68  98.012% * 99.6773% (0.98  10.0   6.32 154.37) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.51 +/- 0.79   1.934% *  0.0576% (0.57   1.0   0.02  19.29) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  13.86 +/- 2.10   0.028% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.90 +/- 1.37   0.017% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  17.85 +/- 3.65   0.003% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  18.53 +/- 3.41   0.005% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.7, residual support = 154.4:
      O   HN    GLN   30 - HB3   GLN   30   2.70 +/- 0.58  98.280% * 99.4549% (0.65  10.0   6.70 154.37) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.36 +/- 0.67   1.683% *  0.0304% (0.20   1.0   0.02  19.29) =   0.001%
          HN    LYS+  99 - HB3   GLN   30  13.73 +/- 1.32   0.017% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.20 +/- 1.92   0.013% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  18.52 +/- 3.34   0.003% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  17.55 +/- 3.49   0.004% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 7.0, residual support = 152.9:
          HN    GLN   30 - HG2   GLN   30   3.60 +/- 0.21  94.496% * 82.4318% (0.65   7.03 154.37) =  98.882%  kept
          HN    GLU-  29 - HG2   GLN   30   5.80 +/- 0.28   5.382% * 16.3542% (0.20   4.56  19.29) =   1.117%  kept
          HN    GLU-  14 - HG2   GLN   30  12.80 +/- 2.08   0.092% *  0.3594% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.74 +/- 1.16   0.016% *  0.3146% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  19.06 +/- 3.08   0.006% *  0.3347% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  18.34 +/- 3.11   0.008% *  0.2053% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 154.4:
      O   HE21  GLN   30 - HG2   GLN   30   3.76 +/- 0.14  98.538% * 99.6917% (0.87  10.0   4.01 154.37) =  99.998%  kept
          HD1   TRP   27 - HG2   GLN   30   7.94 +/- 0.91   1.449% *  0.1147% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG2   GLN   30  17.38 +/- 1.73   0.012% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  25.00 +/- 1.58   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.73, residual support = 154.4:
      O   HE21  GLN   30 - HG3   GLN   30   4.11 +/- 0.13  88.977% * 99.5784% (0.87  10.0   2.73 154.37) =  99.997%  kept
          HD1   TRP   27 - HG3   GLN   30   8.58 +/- 0.89   1.501% *  0.1145% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   7.87 +/- 2.12   7.381% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.81 +/- 1.33   1.479% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  15.57 +/- 3.39   0.184% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.91 +/- 1.46   0.391% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.29 +/- 1.42   0.013% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  15.61 +/- 2.07   0.048% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.64 +/- 1.82   0.020% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.08 +/- 2.16   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.65 +/- 2.44   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.15 +/- 2.52   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 5.88, residual support = 153.3:
          HN    GLN   30 - HG3   GLN   30   3.35 +/- 0.37  95.310% * 83.6179% (0.65   5.90 154.37) =  99.195%  kept
          HN    GLU-  29 - HG3   GLN   30   5.57 +/- 0.47   4.484% * 14.4021% (0.20   3.32  19.29) =   0.804%  kept
          HN    GLU-  14 - HG3   GLN   30  12.56 +/- 2.14   0.120% *  0.4344% (0.99   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   GLN   30  15.98 +/- 1.04   0.010% *  0.3802% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.38 +/- 2.52   0.020% *  0.0813% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  19.79 +/- 2.88   0.004% *  0.4046% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  19.11 +/- 3.33   0.006% *  0.2482% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.13 +/- 2.50   0.018% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.74 +/- 1.61   0.014% *  0.0193% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.62 +/- 2.15   0.002% *  0.0764% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.26 +/- 0.80   0.003% *  0.0296% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  19.48 +/- 1.69   0.003% *  0.0221% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.94 +/- 2.71   0.002% *  0.0499% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.04 +/- 2.28   0.001% *  0.0339% (0.08   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.91 +/- 2.11   0.000% *  0.0570% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.40 +/- 2.17   0.000% *  0.0873% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  20.59 +/- 1.78   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.43 +/- 2.22   0.000% *  0.0174% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.171, support = 4.92, residual support = 42.8:
          HG    LEU   31 - HB3   GLN   30   4.44 +/- 0.59  48.733% * 74.0017% (0.15  1.00   5.83  51.05) =  82.060%  kept
          QD2   LEU   73 - HB3   GLN   30   4.40 +/- 1.12  51.251% * 15.3814% (0.25  1.00   0.75   4.89) =  17.938%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.71 +/- 1.30   0.009% *  8.0068% (0.49 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - HB3   GLN   30  21.22 +/- 3.50   0.005% *  0.9977% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  21.89 +/- 1.90   0.002% *  1.6124% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.01, residual support = 4.88:
          QD1   LEU   73 - HB3   GLN   30   2.73 +/- 0.66  99.340% * 96.7335% (0.87   3.01   4.89) =  99.996%  kept
          QD2   LEU   80 - HB3   GLN   30   8.79 +/- 2.69   0.454% *  0.7337% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB3   GLN   30  10.45 +/- 3.26   0.156% *  0.3043% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.48 +/- 1.50   0.021% *  0.6421% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.48 +/- 1.44   0.014% *  0.6421% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.06 +/- 1.39   0.013% *  0.2058% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.51 +/- 2.10   0.002% *  0.7386% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.737, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  21.09 +/- 3.84  27.249% * 54.6388% (0.97   0.02   0.02) =  57.519%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.96 +/- 2.20  16.640% * 36.6255% (0.65   0.02   0.02) =  23.544%  kept
          QD1   ILE   56 - HB2   GLN   30  17.77 +/- 1.30  56.111% *  8.7356% (0.15   0.02   0.02) =  18.937%  kept
    Distance limit 3.43 A violated in 20 structures by 12.52 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.63, residual support = 4.88:
          QD1   LEU   73 - HB2   GLN   30   2.80 +/- 0.61  99.014% * 94.1297% (0.87   1.63   4.89) =  99.988%  kept
          QD2   LEU   80 - HB2   GLN   30   8.96 +/- 2.72   0.692% *  1.3185% (0.99   0.02   0.02) =   0.010%
          QG1   VAL   83 - HB2   GLN   30  10.70 +/- 3.39   0.254% *  0.5469% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.48 +/- 1.77   0.016% *  1.1539% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.58 +/- 1.50   0.011% *  1.1539% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  14.03 +/- 1.70   0.011% *  0.3699% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.51 +/- 2.07   0.002% *  1.3273% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.64, residual support = 154.4:
      O T HA    GLN   30 - HG3   GLN   30   2.38 +/- 0.46  98.141% * 98.6729% (0.65  10.0 10.00   4.64 154.37) = 100.000%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.96 +/- 1.46   0.071% *  0.0863% (0.06   1.0 10.00   0.02   0.24) =   0.000%
          HB    THR   39 - HG3   GLN   30   9.46 +/- 0.87   0.052% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.34 +/- 1.47   1.424% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30   9.88 +/- 0.88   0.033% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  12.95 +/- 2.17   0.017% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.97 +/- 1.69   0.148% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  12.79 +/- 2.78   0.031% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  16.90 +/- 3.55   0.003% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.42 +/- 1.53   0.034% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.29 +/- 2.35   0.017% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  21.21 +/- 2.57   0.001% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.80 +/- 2.47   0.023% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.73 +/- 2.36   0.002% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  20.57 +/- 1.66   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.47 +/- 2.07   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.02 +/- 1.07   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.26 +/- 1.42   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.12 +/- 1.88   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.39 +/- 1.18   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.51 +/- 3.13   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.45 +/- 1.13   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.46 +/- 2.35   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.57 +/- 2.09   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.14 +/- 2.27   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.85 +/- 1.49   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.36 +/- 2.34   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.2, residual support = 15.8:
          HZ2   TRP   27 - QD1   LEU   31   2.90 +/- 0.62  99.970% * 99.8386% (0.87   2.20  15.85) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  13.13 +/- 1.24   0.030% *  0.1614% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.898, support = 0.946, residual support = 15.8:
          HD21  ASN   28 - QD1   LEU   31   4.30 +/- 0.63  76.759% * 59.5409% (0.92   0.98  18.42) =  84.269%  kept
          HZ2   TRP   87 - QD1   LEU   31   8.28 +/- 5.24  22.675% * 37.6172% (0.76   0.75   1.58) =  15.727%  kept
          HN    ALA   84 - QD1   LEU   31  11.95 +/- 2.91   0.279% *  0.3650% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   31  11.48 +/- 1.26   0.241% *  0.2598% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  16.11 +/- 1.24   0.028% *  1.0031% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.35 +/- 1.06   0.009% *  0.8491% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  19.31 +/- 1.69   0.010% *  0.3650% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.754, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  13.57 +/- 3.39  40.791% * 52.6698% (0.97   0.02   0.02) =  65.659%  kept
          HN    ASP- 105 - QD1   LEU   31  12.04 +/- 1.83  57.088% * 18.6164% (0.34   0.02   0.02) =  32.480%  kept
          HN    PHE   55 - QD1   LEU   31  20.62 +/- 0.92   2.121% * 28.7138% (0.53   0.02   0.02) =   1.861%  kept
    Distance limit 4.16 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.56, residual support = 231.5:
          HN    LEU   31 - HG    LEU   31   2.68 +/- 0.69  99.918% * 99.1260% (0.67   7.56 231.46) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.69 +/- 0.70   0.080% *  0.2031% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.37 +/- 1.19   0.001% *  0.2815% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.24 +/- 1.09   0.000% *  0.3111% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.94 +/- 1.15   0.000% *  0.0783% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 231.5:
      O   HN    LEU   31 - HB3   LEU   31   3.52 +/- 0.02  99.601% * 99.3670% (0.34  10.0   7.04 231.46) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.92 +/- 0.46   0.397% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.70 +/- 1.22   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.11 +/- 1.03   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 5.67, residual support = 43.4:
          HN    GLN   32 - HB3   LEU   31   3.84 +/- 0.16  80.266% * 79.5401% (0.76   5.93  45.74) =  94.211%  kept
          HN    ALA   34 - HB3   LEU   31   4.94 +/- 0.30  19.709% * 19.9027% (0.84   1.36   4.77) =   5.789%  kept
          HN    LEU   80 - HB3   LEU   31  16.84 +/- 1.85   0.014% *  0.2548% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  18.71 +/- 3.77   0.010% *  0.1317% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.94 +/- 1.28   0.001% *  0.1708% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 18.4:
        T HA    ASN   28 - HB2   LEU   31   3.30 +/- 0.23  98.433% * 98.0556% (0.73 10.00   2.56  18.42) =  99.990%  kept
        T HA    ALA   34 - HB2   LEU   31   7.58 +/- 0.22   0.732% *  1.2110% (0.90 10.00   0.02   4.77) =   0.009%
          HA1   GLY  101 - HB2   LEU   31  10.77 +/- 3.91   0.475% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.49 +/- 0.16   0.355% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.14 +/- 5.28   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  23.19 +/- 1.54   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.17 +/- 1.10   0.000% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.85 +/- 0.92   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.31 +/- 2.00   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 231.5:
      O   HN    LEU   31 - HB2   LEU   31   2.59 +/- 0.15  99.963% * 99.3670% (0.34  10.0   7.04 231.46) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.80 +/- 0.28   0.036% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.29 +/- 1.11   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.33 +/- 1.06   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 5.91, residual support = 45.5:
          HN    GLN   32 - HB2   LEU   31   2.72 +/- 0.17  97.886% * 79.5395% (0.76   5.93  45.74) =  99.463%  kept
          HN    ALA   34 - HB2   LEU   31   5.26 +/- 0.15   2.110% * 19.9033% (0.84   1.36   4.77) =   0.537%  kept
          HN    LEU   80 - HB2   LEU   31  16.05 +/- 1.64   0.003% *  0.2548% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  18.12 +/- 3.53   0.002% *  0.1317% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.17 +/- 1.05   0.000% *  0.1708% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.04, residual support = 231.5:
      O   HN    LEU   31 - HA    LEU   31   2.77 +/- 0.04  99.790% * 99.3670% (0.34  10.0   7.04 231.46) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.79 +/- 0.35   0.209% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.29 +/- 1.07   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.63 +/- 0.93   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 5.07, residual support = 37.2:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.03  27.189% * 90.8354% (0.76  10.0   5.93  45.74) =  79.076%  kept
          HN    ALA   34 - HA    LEU   31   3.04 +/- 0.21  72.806% *  8.9758% (0.84   1.0   1.81   4.77) =  20.924%  kept
          HN    LEU   80 - HA    LEU   31  16.93 +/- 1.85   0.003% *  0.0863% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  19.74 +/- 3.53   0.002% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.63 +/- 1.12   0.000% *  0.0579% (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 = 3.36:
          QD1   LEU   73 - HA    LEU   31   4.66 +/- 0.66  96.795% * 87.6996% (0.49   1.22   3.36) =  99.908%  kept
          QD2   LEU   80 - HA    LEU   31  11.10 +/- 2.71   1.124% *  2.5530% (0.87   0.02   0.02) =   0.034%
          QG1   VAL   83 - HA    LEU   31  11.75 +/- 3.63   1.133% *  2.3568% (0.80   0.02   0.02) =   0.031%
          QD1   LEU  104 - HA    LEU   31  11.57 +/- 1.32   0.648% *  2.9172% (0.99   0.02   0.02) =   0.022%
          QD1   LEU   63 - HA    LEU   31  14.16 +/- 1.73   0.172% *  1.4326% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HA    LEU   31  19.17 +/- 2.05   0.035% *  2.4584% (0.84   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU   31  16.01 +/- 1.88   0.093% *  0.5825% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 12 structures by 0.94 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.524, support = 2.71, residual support = 12.3:
          HD1   TRP   87 - QG2   VAL   83   3.35 +/- 0.78  92.571% * 75.3053% (0.53   2.74  12.33) =  98.803%  kept
          HE3   TRP   87 - QG2   VAL   83   6.15 +/- 1.12   5.034% * 13.3748% (0.45   0.57  12.33) =   0.954%  kept
          HN    TRP   27 - QG2   VAL   83   8.18 +/- 2.35   1.890% *  8.8524% (1.00   0.17   1.62) =   0.237%
          HN    ALA   91 - QG2   VAL   83   8.71 +/- 0.97   0.467% *  0.8720% (0.84   0.02   0.02) =   0.006%
          HN    ALA   61 - QG2   VAL   83  16.25 +/- 1.64   0.016% *  0.7978% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  17.78 +/- 3.10   0.011% *  0.5911% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  17.32 +/- 3.14   0.013% *  0.2066% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  16.70 +/- 2.80 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 13.60 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.546, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   8.11 +/- 0.90  41.377% * 30.1124% (0.67   0.02   0.02) =  54.500%  kept
          QD    PHE   59 - QG2   VAL   42   7.83 +/- 1.44  53.035% * 17.5479% (0.39   0.02   0.02) =  40.708%  kept
          HD1   TRP   27 - QG2   VAL   42  11.42 +/- 0.91   4.923% * 17.5479% (0.39   0.02   0.02) =   3.779%  kept
          HH2   TRP   49 - QG2   VAL   42  18.52 +/- 2.21   0.666% * 34.7918% (0.77   0.02   0.02) =   1.013%  kept
    Distance limit 3.28 A violated in 20 structures by 3.40 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   2.62 +/- 0.99  84.700% * 65.1583% (0.79  1.00   0.34   1.42) =  98.989%  kept
          QD1   LEU   67 - QG2   VAL   42   4.28 +/- 0.78  10.591% *  3.9118% (0.80  1.00   0.02   0.02) =   0.743%  kept
        T HB    VAL   75 - QG2   VAL   42   9.78 +/- 0.92   0.342% * 19.0830% (0.39 10.00   0.02   0.02) =   0.117%
          QD2   LEU   71 - QG2   VAL   42   6.20 +/- 0.23   1.688% *  1.9083% (0.39  1.00   0.02   5.37) =   0.058%
          QG2   ILE  103 - QG2   VAL   42   6.77 +/- 0.65   0.538% *  3.8858% (0.79  1.00   0.02   0.02) =   0.038%
          HG3   LYS+  74 - QG2   VAL   42  10.49 +/- 1.28   0.366% *  3.7086% (0.76  1.00   0.02   0.02) =   0.024%
          QG2   ILE  119 - QG2   VAL   42   8.94 +/- 2.21   1.453% *  0.8728% (0.18  1.00   0.02   0.02) =   0.023%
          QD1   ILE  103 - QG2   VAL   42   7.43 +/- 1.14   0.321% *  1.4714% (0.30  1.00   0.02   0.02) =   0.008%
    Distance limit 3.00 A violated in 2 structures by 0.18 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 = 0.931, support = 3.82, residual support = 15.3:
        T HZ2   TRP   27 - QD2   LEU   31   3.75 +/- 0.70  33.365% * 96.6063% (0.99 10.00   4.01  15.85) =  93.444%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.21 +/- 1.07  66.635% *  3.3937% (0.07 10.00   1.04   6.83) =   6.556%  kept
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 51.0:
          HE22  GLN   30 - QD2   LEU   31   4.07 +/- 0.18  92.550% * 99.1215% (0.90   3.20  51.05) =  99.996%  kept
          HE22  GLN   30 - QG2   VAL   43   6.82 +/- 1.08   7.221% *  0.0419% (0.06   0.02   0.02) =   0.003%
          HD22  ASN   69 - QD2   LEU   31  13.78 +/- 1.50   0.087% *  0.4471% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.18 +/- 0.97   0.013% *  0.3364% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.48 +/- 0.87   0.080% *  0.0228% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.49 +/- 0.90   0.050% *  0.0303% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.6:
      O T HA    VAL   43 - QG2   VAL   43   2.22 +/- 0.20  99.535% * 99.3737% (0.50  10.0 10.00   3.00  60.64) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   5.85 +/- 0.83   0.435% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43  10.22 +/- 0.93   0.012% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.33 +/- 0.74   0.012% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.00 +/- 0.65   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.73 +/- 1.44   0.004% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.195, support = 1.83, residual support = 14.5:
        T HZ3   TRP   27 - QD2   LEU   31   3.19 +/- 1.64  69.104% * 72.2559% (0.14 10.00   1.80  15.85) =  85.348%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.57 +/- 0.88  30.896% * 27.7441% (0.50  1.00   1.99   6.83) =  14.652%  kept
    Distance limit 2.94 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.915, support = 4.16, residual support = 43.7:
          HN    GLN   32 - QG    GLN   32   3.38 +/- 0.65  93.349% * 85.4088% (0.92   4.17  44.20) =  98.846%  kept
          HN    ALA   34 - QG    GLN   32   5.61 +/- 0.32   6.640% * 14.0172% (0.22   2.84   0.11) =   1.154%  kept
          HN    SER   85 - QG    GLN   32  19.91 +/- 3.39   0.003% *  0.4279% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  17.86 +/- 1.82   0.005% *  0.0684% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.33 +/- 1.21   0.003% *  0.0777% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.17, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.16 +/- 0.12  99.193% * 99.8359% (0.92  10.0   4.17  44.20) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.83 +/- 0.14   0.806% *  0.0241% (0.22   1.0   0.02   0.11) =   0.000%
          HN    SER   85 - QB    GLN   32  19.18 +/- 2.96   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.69 +/- 1.40   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.41 +/- 0.87   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.217, support = 5.7, residual support = 65.7:
      O   HN    GLU-  29 - HA    GLU-  29   2.71 +/- 0.01  81.630% * 27.4129% (0.14  10.0   5.84  91.60) =  64.187%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  17.554% * 71.1184% (0.36  10.0   5.46  19.29) =  35.811%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.14   0.365% *  0.1093% (0.55   1.0   0.02   1.65) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.52 +/- 0.36   0.186% *  0.1125% (0.57   1.0   0.02   0.17) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.50 +/- 0.18   0.181% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.13 +/- 0.50   0.059% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.19 +/- 2.32   0.007% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.46 +/- 1.17   0.006% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.69 +/- 0.71   0.003% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.16 +/- 2.23   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.30 +/- 2.39   0.002% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.06 +/- 1.25   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.41 +/- 3.21   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.55 +/- 4.03   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  22.12 +/- 3.61   0.000% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.80 +/- 3.92   0.000% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.78 +/- 3.88   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  24.02 +/- 3.53   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.12, residual support = 44.1:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.03  81.625% * 98.5536% (0.39  10.0   4.13  44.20) =  99.870%  kept
          HN    GLN   32 - HA    GLU-  29   3.56 +/- 0.11  16.791% *  0.6153% (0.25   1.0   0.19   0.02) =   0.128%
          HN    GLN   32 - HA    LYS+  33   5.28 +/- 0.06   1.580% *  0.1014% (0.40   1.0   0.02  11.31) =   0.002%
          HN    SER   85 - HA    GLU-  29  19.34 +/- 2.86   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  21.94 +/- 3.52   0.000% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.27 +/- 1.09   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  24.89 +/- 3.38   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.44 +/- 0.89   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.72 +/- 0.97   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.86 +/- 0.60   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.60 +/- 0.76   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.95 +/- 0.92   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 = 0.654, support = 5.5, residual support = 140.8:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.02  75.657% * 79.3011% (0.69  10.0   5.59 149.82) =  93.504%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  20.434% * 20.3940% (0.18  10.0   4.20  11.31) =   6.495%  kept
          HN    LYS+  33 - HA    GLU-  29   4.88 +/- 0.50   3.877% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.22 +/- 0.28   0.021% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.19 +/- 0.54   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.45 +/- 0.32   0.005% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.48 +/- 2.21   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  25.64 +/- 3.09   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  21.06 +/- 2.35   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.71 +/- 3.10   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.58 +/- 2.18   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.57 +/- 1.96   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.388, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.77 +/- 1.39  91.761% *  5.4417% (0.14   0.02   0.02) =  65.224%  kept
          QD    PHE   60 - QB    LYS+  33  15.18 +/- 1.42   4.977% * 37.1179% (0.92   0.02   0.02) =  24.129%  kept
          HN    LYS+  81 - QB    LYS+  33  19.66 +/- 1.95   1.062% * 39.4132% (0.98   0.02   0.02) =   5.466%  kept
          HN    LYS+  66 - QB    LYS+  33  17.47 +/- 1.32   2.200% * 18.0271% (0.45   0.02   0.02) =   5.181%  kept
    Distance limit 3.60 A violated in 20 structures by 5.02 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.73, residual support = 149.8:
      O   HN    LYS+  33 - QB    LYS+  33   2.38 +/- 0.30  99.985% * 99.9232% (0.97  10.0   5.73 149.82) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.72 +/- 0.62   0.015% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.45 +/- 2.09   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.914, support = 5.86, residual support = 41.8:
          HN    ALA   34 - QB    LYS+  33   2.96 +/- 0.25  93.127% * 68.0054% (0.92   5.92  42.81) =  96.689%  kept
          HN    GLN   32 - QB    LYS+  33   4.77 +/- 0.34   6.869% * 31.5668% (0.65   3.92  11.31) =   3.311%  kept
          HN    LEU   80 - QB    LYS+  33  17.58 +/- 1.82   0.003% *  0.2078% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  21.30 +/- 2.99   0.001% *  0.0692% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.02 +/- 0.94   0.000% *  0.1509% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.41, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  11.49 +/- 1.84  80.436% *  8.4971% (0.20   0.02   0.02) =  55.410%  kept
          HN    ILE  103 - QB    LYS+  33  16.41 +/- 1.04  11.932% * 24.3087% (0.57   0.02   0.02) =  23.515%  kept
          HN    SER   82 - QB    LYS+  33  19.55 +/- 2.78   6.083% * 34.3809% (0.80   0.02   0.02) =  16.955%  kept
          HN    GLN   90 - QB    LYS+  33  23.61 +/- 1.90   1.549% * 32.8133% (0.76   0.02   0.02) =   4.120%  kept
    Distance limit 3.80 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 149.8:
      O   HA    LYS+  33 - HG2   LYS+  33   3.70 +/- 0.41  82.327% * 98.3393% (0.53  10.0   5.39 149.82) =  99.981%  kept
          HB2   SER   37 - HG2   LYS+  33   6.91 +/- 1.46   6.168% *  0.1561% (0.84   1.0   0.02   0.02) =   0.012%
          HA    GLU-  29 - HG2   LYS+  33   6.66 +/- 1.26   4.872% *  0.0702% (0.38   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - QG    LYS+  81   5.81 +/- 0.25   6.220% *  0.0249% (0.13   1.0   0.02  18.35) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  11.85 +/- 1.43   0.131% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  14.89 +/- 2.10   0.101% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  12.95 +/- 1.01   0.060% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  14.50 +/- 1.98   0.040% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.59 +/- 1.03   0.026% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  17.87 +/- 1.70   0.012% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.57 +/- 1.73   0.004% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.63 +/- 1.23   0.008% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.91 +/- 2.21   0.005% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.97 +/- 0.54   0.007% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  21.21 +/- 3.67   0.004% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.98 +/- 1.51   0.002% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.83 +/- 2.06   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.88 +/- 1.83   0.003% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  23.55 +/- 0.60   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.75 +/- 2.04   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.70 +/- 1.42   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  23.38 +/- 3.29   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.54 +/- 0.99   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.14 +/- 0.71   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 123.7:
        T QD1   ILE   56 - QG2   ILE   56   2.65 +/- 0.60  99.913% * 99.6085% (0.98 10.00   4.84 123.71) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.28 +/- 1.39   0.049% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.67 +/- 1.22   0.009% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.38 +/- 1.02   0.010% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.97 +/- 1.55   0.016% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.85 +/- 1.80   0.003% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.01 +/- 1.34  98.486% * 49.9558% (0.99 10.00   0.02   0.02) =  99.934%  kept
          HA    GLU- 114 - QG2   ILE   56   9.16 +/- 0.89   1.466% *  1.2568% (0.25  1.00   0.02   0.02) =   0.037%
        T HA    ILE   19 - QG2   ILE   56  14.65 +/- 1.28   0.033% * 42.0992% (0.84 10.00   0.02   0.02) =   0.028%
          HA    THR   26 - QG2   ILE   56  19.71 +/- 1.95   0.005% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.35 +/- 2.43   0.004% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.28 +/- 2.28   0.006% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 3 structures by 0.46 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 = 0.875, support = 3.49, residual support = 16.4:
          HA    PHE   55 - QG2   ILE   56   5.00 +/- 0.65  32.552% * 87.6262% (0.92   4.07  19.02) =  82.541%  kept
          HA    ALA  110 - QG2   ILE   56   5.37 +/- 3.05  53.183% * 11.3186% (0.65   0.75   3.85) =  17.419%  kept
          HA    THR   46 - QG2   ILE   56   6.29 +/- 2.12  14.056% *  0.0923% (0.20   0.02   0.02) =   0.038%
          HA    GLN   90 - QG2   ILE   56  12.88 +/- 2.33   0.091% *  0.3566% (0.76   0.02   0.02) =   0.001%
          HA    VAL   42 - QG2   ILE   56  12.36 +/- 1.32   0.076% *  0.3736% (0.80   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.64 +/- 0.97   0.042% *  0.1163% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  24.01 +/- 1.13   0.001% *  0.1163% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 4 structures by 0.48 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  10.82 +/- 0.85 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 7.91 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 = 33.6:
          HN    ALA   57 - QG2   ILE   56   3.16 +/- 0.87  96.787% * 99.1190% (0.92   5.34  33.59) =  99.989%  kept
          HE21  GLN  116 - QG2   ILE   56  10.08 +/- 1.89   2.937% *  0.3490% (0.87   0.02   0.02) =   0.011%
          HN    ALA  120 - QG2   ILE   56  10.69 +/- 1.37   0.257% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  15.70 +/- 2.28   0.019% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.67, residual support = 123.7:
          HN    ILE   56 - QG2   ILE   56   2.52 +/- 0.53  91.805% * 98.5358% (0.65   6.67 123.71) =  99.991%  kept
          QE    PHE   60 - QG2   ILE   56   6.31 +/- 1.94   6.811% *  0.0904% (0.20   0.02   3.89) =   0.007%
          HN    LYS+ 111 - QG2   ILE   56   6.28 +/- 1.71   1.129% *  0.1270% (0.28   0.02   2.14) =   0.002%
          HN    LEU   63 - QG2   ILE   56   7.95 +/- 0.83   0.248% *  0.3491% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  16.13 +/- 2.74   0.003% *  0.3491% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.06 +/- 2.34   0.001% *  0.4216% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.65 +/- 1.88   0.003% *  0.1270% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 2.81, residual support = 8.52:
        T HB    THR   39 - QB    ALA   34   3.41 +/- 0.67  77.030% * 92.1576% (0.80 10.00   2.83   8.62) =  98.817%  kept
          HB3   SER   37 - QB    ALA   34   4.99 +/- 0.47  12.521% *  3.5858% (0.69  1.00   0.91   0.02) =   0.625%  kept
          HA    GLN   30 - QB    ALA   34   5.16 +/- 0.50  10.352% *  3.8687% (0.44  1.00   1.55   0.48) =   0.557%  kept
          QB    SER   13 - QB    ALA   34  12.75 +/- 1.86   0.070% *  0.0949% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  17.09 +/- 3.46   0.010% *  0.1018% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  18.68 +/- 2.24   0.005% *  0.0785% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.51 +/- 1.40   0.008% *  0.0386% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.50 +/- 1.63   0.001% *  0.0582% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  20.37 +/- 0.63   0.002% *  0.0159% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.77:
          HA    LEU   31 - QB    ALA   34   2.29 +/- 0.27 100.000% *100.0000% (0.65   0.75   4.77) = 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 = 9.31:
        T QG1   VAL   41 - QB    ALA   34   1.93 +/- 0.26  98.725% * 98.5777% (0.75 10.00   2.96   9.31) =  99.999%  kept
          HG    LEU   31 - QB    ALA   34   4.85 +/- 0.67   0.841% *  0.1089% (0.83  1.00   0.02   4.77) =   0.001%
          QD2   LEU   73 - QB    ALA   34   5.45 +/- 0.79   0.254% *  0.0945% (0.72  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QB    ALA   34   6.12 +/- 0.64   0.174% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.77 +/- 0.50   0.004% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.78 +/- 0.67   0.000% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.29 +/- 0.51   0.001% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.33, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.93 +/- 0.05  99.935% * 98.6076% (0.62   3.33  18.79) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.28 +/- 0.57   0.057% *  0.2661% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.15 +/- 2.43   0.006% *  0.8602% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.63 +/- 0.87   0.001% *  0.2661% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.7, residual support = 25.4:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.08  99.995% * 99.6936% (0.58  10.0   3.70  25.44) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.13 +/- 0.31   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.14 +/- 1.50   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.33 +/- 0.93   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.51, residual support = 25.4:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.01  99.589% * 99.6949% (0.87  10.0   3.51  25.44) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.90 +/- 0.13   0.410% *  0.0287% (0.25   1.0   0.02   0.11) =   0.000%
          HN    LEU   80 - HA    ALA   34  21.05 +/- 1.82   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.45 +/- 5.80   0.001% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.18 +/- 1.09   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.65 +/- 1.32   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.88 +/- 5.43   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.44 +/- 2.65   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.88, support = 2.7, residual support = 7.88:
          HB    THR   39 - HA    ALA   34   2.95 +/- 0.56  65.151% * 82.1407% (0.88   2.90   8.62) =  91.370%  kept
          HB3   SER   37 - HA    ALA   34   3.51 +/- 0.56  33.996% * 14.8648% (0.89   0.52   0.02) =   8.628%  kept
          HA    GLN   30 - HA    ALA   34   6.65 +/- 0.66   0.827% *  0.1011% (0.16   0.02   0.48) =   0.001%
          QB    SER   13 - HA    ALA   34  13.81 +/- 2.43   0.014% *  0.5569% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.03 +/- 0.64   0.006% *  0.1012% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.69 +/- 5.98   0.003% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  22.44 +/- 4.07   0.001% *  0.4190% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  21.04 +/- 1.58   0.001% *  0.4410% (0.69   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  24.63 +/- 2.68   0.000% *  0.5758% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.78 +/- 6.29   0.001% *  0.1322% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.42 +/- 3.53   0.001% *  0.1278% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.89 +/- 1.86   0.000% *  0.1285% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  31.66 +/- 2.57   0.000% *  0.1322% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  26.37 +/- 5.00   0.000% *  0.0232% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.32 +/- 2.06   0.000% *  0.0295% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  36.58 +/- 3.38   0.000% *  0.0962% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.75 +/- 0.07  99.879% * 97.5620% (0.90  10.0 10.00   4.04  55.52) = 100.000%  kept
        T HA    LEU   40 - HB2   ASN   35   9.78 +/- 0.76   0.054% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.62 +/- 1.92   0.046% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.88 +/- 0.36   0.010% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.22 +/- 1.45   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.70 +/- 0.69   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.32 +/- 1.08   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.96 +/- 1.96   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.72 +/- 2.57   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  26.17 +/- 5.67   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.02 +/- 2.86   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.61 +/- 1.57   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  28.08 +/- 1.84   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.79 +/- 2.09   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.28 +/- 4.48   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.74 +/- 1.69   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  32.28 +/- 1.82   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.88 +/- 1.78   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   2.58 +/- 0.54  99.940% * 99.6071% (0.57  10.0   5.88  55.52) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.77 +/- 1.44   0.015% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.50 +/- 0.37   0.040% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.33 +/- 1.63   0.002% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.67 +/- 2.24   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  22.18 +/- 4.29   0.000% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.61 +/- 3.40   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  19.83 +/- 2.25   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  24.17 +/- 3.72   0.000% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  22.87 +/- 3.88   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.57 +/- 0.52  99.905% * 99.7208% (1.00  10.0   3.60  55.52) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.65 +/- 0.83   0.053% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  10.80 +/- 1.25   0.038% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.72 +/- 2.11   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  21.22 +/- 1.06   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.27 +/- 1.95   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.89 +/- 0.90   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.61 +/- 2.25   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  22.68 +/- 2.27   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  30.29 +/- 3.31   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 2.21, residual support = 7.51:
        T HA    GLN   32 - HB2   ASN   35   3.64 +/- 0.88  57.838% * 74.0291% (0.99 10.00   2.05   5.78) =  92.132%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.85 +/- 0.11  36.686% *  7.9253% (0.11 10.00   4.71  34.48) =   6.256%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.44 +/- 0.21   4.494% * 16.6286% (0.22 10.00   2.02   1.51) =   1.608%  kept
        T HA    GLN   32 - HB2   ASN   28   7.72 +/- 0.36   0.611% *  0.2303% (0.31 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASN   35   8.96 +/- 0.81   0.194% *  0.2548% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.35 +/- 0.58   0.097% *  0.0517% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  12.91 +/- 3.55   0.047% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.95 +/- 1.32   0.001% *  0.3349% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  15.11 +/- 2.96   0.012% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.41 +/- 0.99   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.45 +/- 1.20   0.003% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  19.18 +/- 2.49   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  20.52 +/- 2.22   0.002% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.68 +/- 0.56   0.006% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  23.08 +/- 4.67   0.001% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  22.02 +/- 1.41   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  22.94 +/- 4.34   0.001% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  26.62 +/- 4.25   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.27 +/- 1.58   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.96 +/- 1.37   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.85 +/- 1.10   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.42 +/- 2.31   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.31 +/- 4.18   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.67 +/- 3.24   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.87, residual support = 52.1:
          QB    GLU-  36 - HB3   ASN   35   4.08 +/- 0.11  96.707% * 98.6146% (0.99   4.87  52.06) =  99.996%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.47 +/- 0.44   2.787% *  0.0715% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.61 +/- 0.41   0.333% *  0.3769% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.96 +/- 0.59   0.170% *  0.2311% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  23.34 +/- 0.99   0.003% *  0.3940% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  30.51 +/- 1.71   0.001% *  0.3120% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.781, support = 5.14, residual support = 47.2:
          QB    GLU-  36 - HB2   ASN   35   4.81 +/- 0.35  32.897% * 68.9025% (0.99  1.00   5.28  52.06) =  72.650%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.70 +/- 0.70  43.602% * 11.4125% (0.18  1.00   4.92  34.48) =  15.949%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.23 +/- 0.42  20.570% * 17.2808% (0.29  1.00   4.57  34.48) =  11.393%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.54 +/- 0.62   2.295% *  0.0461% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.81 +/- 0.72   0.244% *  0.2429% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.58 +/- 0.96   0.062% *  0.7900% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  12.11 +/- 0.91   0.131% *  0.1490% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.28 +/- 0.65   0.180% *  0.0811% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  22.37 +/- 1.44   0.003% *  0.6256% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  23.00 +/- 1.84   0.003% *  0.2540% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.51 +/- 0.28   0.012% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  29.86 +/- 2.59   0.001% *  0.2011% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.571, support = 1.82, residual support = 4.96:
          HA    GLN   32 - HB3   ASN   35   3.59 +/- 0.26  85.381% * 36.2924% (0.49  1.00   1.91   5.78) =  80.718%  kept
          HA    LYS+  33 - HB3   ASN   35   4.92 +/- 0.32  14.195% * 52.1218% (0.92  1.00   1.45   1.51) =  19.273%  kept
          HA    GLU-  29 - HB3   ASN   35   8.84 +/- 0.31   0.393% *  0.7728% (0.99  1.00   0.02   0.02) =   0.008%
        T HA    VAL   18 - HB3   ASN   35  18.73 +/- 0.61   0.005% *  7.7796% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  14.43 +/- 0.96   0.023% *  0.5044% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  23.47 +/- 3.90   0.002% *  0.7780% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  27.26 +/- 3.42   0.001% *  0.4102% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  29.32 +/- 2.55   0.000% *  0.5044% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.78 +/- 1.14   0.000% *  0.5959% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.05 +/- 1.60   0.000% *  0.2406% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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  99.886% * 99.4336% (0.90  10.0   3.95  55.52) = 100.000%  kept
          HA    LEU   40 - HB3   ASN   35  10.35 +/- 0.38   0.061% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   ASN   35  11.28 +/- 1.75   0.046% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.20 +/- 1.41   0.003% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.42 +/- 2.54   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  26.62 +/- 5.67   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  30.21 +/- 1.61   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.56 +/- 1.43   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.95 +/- 1.27   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.73 +/- 0.43  99.997% * 99.8105% (1.00  10.0   3.26  55.52) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  17.68 +/- 1.73   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  21.57 +/- 0.89   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.17 +/- 2.11   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  30.93 +/- 2.61   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  99.402% * 98.9717% (0.97   5.91  52.06) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.02 +/- 0.22   0.561% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  12.45 +/- 1.93   0.028% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.22 +/- 0.34   0.008% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  22.55 +/- 3.71   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.65 +/- 0.37  99.999% * 99.9102% (0.97  10.0   5.88  55.52) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.18 +/- 3.49   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.73 +/- 0.20 100.000% *100.0000% (0.99  10.0   3.26  55.52) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 52.1:
          HN    GLU-  36 - HB2   ASN   35   3.53 +/- 0.16  97.852% * 98.9280% (0.92   6.05  52.06) =  99.996%  kept
          HN    THR   39 - HB2   ASN   35   6.94 +/- 0.36   1.882% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  11.71 +/- 1.99   0.134% *  0.3533% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   ASN   28  11.85 +/- 0.50   0.073% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  15.05 +/- 2.65   0.027% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.69 +/- 0.42   0.020% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.87 +/- 2.66   0.009% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  21.88 +/- 4.57   0.003% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.7:
      O T HA    GLU-  36 - QB    GLU-  36   2.41 +/- 0.19  99.992% * 99.4140% (0.84  10.0 10.00   5.58  86.69) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.24 +/- 0.65   0.007% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  21.46 +/- 1.07   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  19.13 +/- 1.74   0.001% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  24.40 +/- 2.14   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  24.41 +/- 5.37   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.88 +/- 1.05   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  29.11 +/- 1.62   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.52 +/- 2.54   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.63 +/- 4.75   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.9:
          HN    SER   37 - QB    GLU-  36   3.38 +/- 0.23  85.965% * 95.6926% (0.45   3.72  18.93) =  99.954%  kept
          HN    LYS+  33 - QB    GLU-  36   4.83 +/- 0.23  10.564% *  0.3193% (0.28   0.02   0.02) =   0.041%
          HN    LYS+  33 - HB3   GLU-  29   5.94 +/- 0.56   3.279% *  0.0989% (0.09   0.02   0.02) =   0.004%
          HN    CYS   21 - HB3   GLU-  29  10.18 +/- 0.69   0.123% *  0.3434% (0.30   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    GLU-  36  15.12 +/- 0.66   0.011% *  1.1083% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.61 +/- 0.71   0.055% *  0.1595% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  25.05 +/- 1.97   0.001% *  0.9962% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  25.06 +/- 2.95   0.001% *  0.7429% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  21.84 +/- 2.23   0.001% *  0.2302% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.91 +/- 1.84   0.000% *  0.3086% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.7:
      O   HN    GLU-  36 - QB    GLU-  36   2.11 +/- 0.07  99.836% * 99.6455% (0.69  10.0   7.31  86.69) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.25 +/- 0.29   0.151% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.07 +/- 0.57   0.009% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  14.09 +/- 1.32   0.001% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.18 +/- 0.78   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.34 +/- 2.07   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.84 +/- 0.93   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  22.52 +/- 3.52   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  19.08 +/- 2.79   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.27 +/- 1.29   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 86.7:
          HN    GLU-  36 - HG2   GLU-  36   3.54 +/- 0.50  99.983% * 98.4022% (0.28   4.85  86.69) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  16.00 +/- 1.77   0.015% *  0.6540% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  21.55 +/- 1.51   0.002% *  0.9437% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.85, residual support = 86.7:
          HN    GLU-  36 - HG3   GLU-  36   4.01 +/- 0.31  97.612% * 98.8133% (0.69   4.85  86.69) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   7.97 +/- 1.20   2.283% *  0.1649% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  16.88 +/- 1.79   0.021% *  0.5143% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  17.26 +/- 3.67   0.043% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.32 +/- 2.96   0.031% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  22.25 +/- 1.29   0.004% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  26.33 +/- 3.64   0.002% *  0.1830% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.20 +/- 3.34   0.002% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.63 +/- 2.27   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  30.74 +/- 4.71   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 86.7:
      O   HN    GLU-  36 - HA    GLU-  36   2.84 +/- 0.02  99.993% * 99.6076% (0.28  10.0   6.06  86.69) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.60 +/- 1.45   0.006% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.61 +/- 1.11   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.43, residual support = 26.9:
      O   HN    SER   37 - HB2   SER   37   3.36 +/- 0.27  99.989% * 99.7690% (0.98  10.0   3.43  26.90) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.06 +/- 0.67   0.009% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.20 +/- 2.34   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  27.92 +/- 3.03   0.000% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.522, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  10.75 +/- 0.59  42.962% * 12.9780% (0.47   0.02   0.02) =  48.048%  kept
          HN    GLU-  29 - HB3   SER   37  13.01 +/- 0.65  13.656% * 22.4691% (0.82   0.02   0.02) =  26.443%  kept
          HN    VAL   18 - QB    SER   13  11.59 +/- 1.11  29.150% *  4.8772% (0.18   0.02   0.02) =  12.252%  kept
          HN    GLN   30 - QB    SER   13  15.56 +/- 2.27   6.619% *  9.9312% (0.36   0.02   0.02) =   5.664%  kept
          HN    GLU-  29 - QB    SER   13  17.31 +/- 2.42   3.399% * 17.1942% (0.63   0.02   0.02) =   5.037%  kept
          HN    VAL   18 - HB3   SER   37  16.40 +/- 1.01   3.825% *  6.3735% (0.23   0.02   0.02) =   2.101%  kept
          HN    ASP-  86 - HB3   SER   37  26.38 +/- 3.61   0.252% * 14.8290% (0.54   0.02   0.02) =   0.322%
          HN    ASP-  86 - QB    SER   13  28.95 +/- 3.42   0.136% * 11.3477% (0.41   0.02   0.02) =   0.133%
    Distance limit 3.79 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.6, residual support = 219.0:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  97.019% * 99.8691% (0.92  10.0   6.60 219.04) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.02   2.673% *  0.0270% (0.25   1.0   0.02  13.34) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   7.01 +/- 2.31   0.239% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.65 +/- 0.29   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   8.66 +/- 2.35   0.054% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.28 +/- 2.62   0.006% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  23.09 +/- 0.89   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.85 +/- 0.93   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  23.05 +/- 1.71   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.86 +/- 1.69   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.24, residual support = 27.9:
      O   HN    THR   39 - HA    LYS+  38   3.08 +/- 0.03  89.598% * 99.6467% (0.92  10.0   6.24  27.89) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.35 +/- 0.03   3.234% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.10 +/- 0.54   5.024% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.40 +/- 1.31   0.146% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.97 +/- 2.29   1.774% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   9.40 +/- 2.44   0.217% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.82 +/- 0.34   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  23.90 +/- 4.01   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.22 +/- 2.54   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  22.66 +/- 4.25   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.3:
          HN    SER   37 - HB2   LYS+  38   4.67 +/- 0.08  99.975% * 32.1378% (1.00   0.02  13.34) =  99.987%  kept
          HN    CYS   21 - HB2   LYS+  38  19.91 +/- 0.40   0.017% * 10.9869% (0.34   0.02   0.02) =   0.006%
          HN    ILE  119 - HB2   LYS+  38  24.45 +/- 2.62   0.006% * 25.7912% (0.80   0.02   0.02) =   0.005%
          HN    ILE   89 - HB2   LYS+  38  29.28 +/- 3.18   0.002% * 31.0842% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.69 A violated in 17 structures by 0.98 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.453, support = 5.26, residual support = 27.6:
          HN    THR   39 - HB2   LYS+  38   4.25 +/- 0.17  91.380% * 88.5996% (0.45   5.31  27.89) =  98.950%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.46 +/- 0.29   8.315% * 10.3089% (0.87   0.32   0.63) =   1.048%  kept
          HN    LYS+ 102 - HB2   LYS+  38  11.34 +/- 1.03   0.304% *  0.7293% (0.98   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   LYS+  38  26.64 +/- 3.91   0.002% *  0.3622% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 5 structures by 0.89 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 212.2:
          HN    LYS+  38 - HG2   LYS+  38   3.37 +/- 0.30  90.170% * 74.9704% (0.80   5.86 219.04) =  96.681%  kept
          HN    SER   37 - HG2   LYS+  38   4.93 +/- 0.19   9.394% * 24.6977% (0.38   4.12  13.34) =   3.318%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.96 +/- 1.32   0.320% *  0.0698% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.55 +/- 1.30   0.114% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  28.44 +/- 3.50   0.000% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.79 +/- 1.16   0.000% *  0.1090% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  25.46 +/- 3.21   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.15 +/- 1.28   0.000% *  0.0297% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.779, support = 5.51, residual support = 208.4:
          HN    LYS+  38 - HG3   LYS+  38   4.06 +/- 0.10  86.910% * 71.8465% (0.80   5.56 219.04) =  94.809%  kept
          HN    SER   37 - HG3   LYS+  38   5.65 +/- 0.11  12.246% * 27.9129% (0.38   4.61  13.34) =   5.190%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.72 +/- 1.55   0.613% *  0.0270% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  11.33 +/- 1.52   0.227% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  29.15 +/- 3.85   0.001% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  33.40 +/- 1.18   0.000% *  0.1101% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.70 +/- 3.29   0.002% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  28.31 +/- 1.53   0.001% *  0.0115% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.81, residual support = 38.0:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  95.627% * 95.2903% (0.97  10.0   3.81  38.09) =  99.807%  kept
          HN    LYS+ 102 - HA    ILE  103   4.86 +/- 0.21   4.114% *  4.2857% (0.24   1.0   3.62  22.47) =   0.193%
          HN    GLU-  36 - HA    THR   39   8.17 +/- 0.22   0.178% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.22 +/- 1.27   0.059% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.26 +/- 0.57   0.010% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  17.53 +/- 4.38   0.004% *  0.0320% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.87 +/- 0.50   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.07 +/- 0.90   0.003% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.90 +/- 4.04   0.000% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.20 +/- 1.69   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.56 +/- 1.87   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.56 +/- 1.47   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.02  99.700% * 99.8247% (0.57  10.0   4.03  23.70) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.35 +/- 0.48   0.245% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.85 +/- 1.42   0.045% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.76 +/- 0.91   0.011% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.79, residual support = 38.1:
      O   HN    THR   39 - HB    THR   39   2.61 +/- 0.19  99.618% * 99.6727% (0.97  10.0   3.79  38.09) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.81 +/- 0.31   0.358% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.47 +/- 1.34   0.019% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.21 +/- 0.67   0.005% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  22.32 +/- 3.96   0.000% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.15 +/- 1.44   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.81 +/- 0.17  99.497% * 99.9089% (0.98   3.92  23.70) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.99 +/- 1.80   0.503% *  0.0911% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.231, residual support = 0.231:
          HN    LEU   71 - QG2   THR   39   3.36 +/- 0.55  99.843% * 55.9099% (0.60   0.23   0.23) =  99.993%  kept
          HN    GLU- 114 - QB    ALA   91  14.31 +/- 1.75   0.033% *  3.2673% (0.40   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ALA   91  13.50 +/- 1.44   0.038% *  1.1370% (0.14   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    ALA   91  15.66 +/- 1.30   0.015% *  2.7842% (0.34   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  16.67 +/- 1.45   0.009% *  3.9964% (0.49   0.02   0.02) =   0.001%
          HN    LEU   71 - QG2   THR   23  16.00 +/- 0.91   0.013% *  2.7208% (0.33   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   39  15.21 +/- 1.23   0.014% *  2.4078% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  18.74 +/- 1.64   0.005% *  5.8960% (0.72   0.02   0.02) =   0.000%
          HN    THR  118 - QB    ALA   91  16.20 +/- 1.26   0.013% *  1.8872% (0.23   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   39  20.40 +/- 1.02   0.003% *  6.9190% (0.85   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  19.14 +/- 1.08   0.005% *  2.2897% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  17.53 +/- 1.39   0.007% *  1.3511% (0.17   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.34 +/- 1.69   0.001% *  3.8826% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  23.84 +/- 1.47   0.001% *  3.3085% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.53 +/- 1.34   0.001% *  2.2425% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.67, residual support = 23.7:
          HN    LEU   40 - QG2   THR   39   2.41 +/- 0.30  99.999% * 99.4396% (0.66   3.67  23.70) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  18.01 +/- 0.82   0.001% *  0.3043% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.25 +/- 1.30   0.000% *  0.2561% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.604, support = 3.62, residual support = 14.9:
      O   HN    ALA   91 - QB    ALA   91   2.38 +/- 0.18  87.390% * 88.7291% (0.61  10.0   3.62  14.59) =  98.803%  kept
          HN    THR   39 - QG2   THR   39   3.57 +/- 0.27   9.038% * 10.3840% (0.38   1.0   3.75  38.09) =   1.196%  kept
          HN    TRP   27 - QG2   THR   23   4.60 +/- 0.83   3.293% *  0.0142% (0.10   1.0   0.02   1.06) =   0.001%
          HD1   TRP   87 - QB    ALA   91   7.86 +/- 1.08   0.097% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.40 +/- 0.53   0.111% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.32 +/- 1.97   0.029% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.03 +/- 1.23   0.019% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.95 +/- 0.69   0.004% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.43 +/- 1.10   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.76 +/- 1.48   0.002% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.51 +/- 1.05   0.002% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.17 +/- 1.36   0.006% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.42 +/- 3.33   0.000% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.13 +/- 0.75   0.001% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.93 +/- 1.35   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.08 +/- 2.13   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.23 +/- 0.78   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  19.63 +/- 4.64   0.000% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.96 +/- 1.92   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.82 +/- 1.26   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.83 +/- 0.88   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.22 +/- 1.30   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.85 +/- 1.36   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.25 +/- 2.08   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   2.80 +/- 0.64  97.821% * 96.9891% (0.87   3.55  14.21) =  99.989%  kept
          HN    THR   46 - QB    ALA   91   7.18 +/- 1.27   1.616% *  0.6170% (0.98   0.02   0.02) =   0.011%
          HN    LYS+  74 - QG2   THR   23   8.47 +/- 0.74   0.336% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.16 +/- 0.45   0.047% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  13.36 +/- 2.12   0.044% *  0.2147% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.67 +/- 1.02   0.017% *  0.5460% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.50 +/- 2.71   0.031% *  0.1564% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.04 +/- 1.00   0.068% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.67 +/- 0.62   0.004% *  0.2914% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.26 +/- 1.96   0.011% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  21.16 +/- 1.18   0.001% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.83 +/- 1.21   0.001% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  20.67 +/- 4.11   0.002% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.00 +/- 2.76   0.000% *  0.3312% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.83 +/- 2.36   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.663, support = 5.05, residual support = 75.3:
          HA    LEU   40 - QD2   LEU   40   2.94 +/- 0.63  57.848% * 62.9485% (0.61   6.05 101.21) =  70.976%  kept
          HA    LYS+  99 - QD2   LEU   40   3.35 +/- 0.80  41.967% * 35.4814% (0.80   2.58  11.90) =  29.023%  kept
          HA    LEU  123 - QD2   LEU   40  11.78 +/- 4.54   0.080% *  0.3399% (0.99   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU   40   9.23 +/- 0.79   0.058% *  0.3165% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.41 +/- 1.31   0.035% *  0.1410% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  15.92 +/- 1.26   0.003% *  0.3244% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.08 +/- 1.26   0.004% *  0.1537% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.33 +/- 1.22   0.003% *  0.1410% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.77 +/- 1.36   0.002% *  0.1537% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.985, support = 4.45, residual support = 100.4:
          HA    LEU   40 - QD1   LEU   40   3.81 +/- 0.27  74.647% * 94.7486% (0.99   4.49 101.21) =  99.047%  kept
          HA    LYS+  99 - QD1   LEU   40   4.98 +/- 1.00  22.322% *  3.0139% (0.31   0.46  11.90) =   0.942%  kept
          HA    LEU  123 - QD1   LEU   40  10.71 +/- 4.40   1.932% *  0.2584% (0.61   0.02   0.02) =   0.007%
          HA    GLU-  15 - QD1   LEU   40   9.81 +/- 1.09   0.322% *  0.3821% (0.90   0.02   0.02) =   0.002%
          HA    ASN   35 - QD1   LEU   40   9.88 +/- 0.62   0.256% *  0.1910% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.49 +/- 0.90   0.220% *  0.1315% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.43 +/- 0.62   0.198% *  0.1315% (0.31   0.02   0.12) =   0.000%
          HA    PRO   58 - QD1   LEU   40  14.18 +/- 1.21   0.033% *  0.3934% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  14.79 +/- 1.35   0.029% *  0.3821% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  15.50 +/- 1.35   0.019% *  0.2074% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.93 +/- 0.62   0.022% *  0.1599% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.681, support = 0.619, residual support = 2.8:
        T HB3   HIS  122 - QD1   LEU   40   7.60 +/- 4.23  56.791% * 96.4962% (0.69 10.00   0.62   2.85) =  98.334%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.64 +/- 2.55  31.121% *  2.9505% (0.34  1.00   0.38   0.02) =   1.648%  kept
          QE    LYS+  74 - QD1   LEU   40  10.67 +/- 1.15  10.798% *  0.0790% (0.18  1.00   0.02   0.02) =   0.015%
          HB3   ASP-  78 - QD1   LEU   40  20.69 +/- 0.81   0.282% *  0.4047% (0.90  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - QD1   LEU   40  16.90 +/- 1.23   1.008% *  0.0696% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 13 structures by 2.67 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   8.36 +/- 1.26  63.474% * 27.6510% (1.00   0.02   0.02) =  67.473%  kept
          QD    PHE   59 - QD1   LEU   40   9.94 +/- 1.51  31.264% * 23.0961% (0.84   0.02   0.02) =  27.759%  kept
          HD1   TRP   27 - QD1   LEU   40  13.15 +/- 1.46   4.449% * 23.0961% (0.84   0.02   0.02) =   3.950%  kept
          HH2   TRP   49 - QD1   LEU   40  21.63 +/- 2.65   0.814% * 26.1568% (0.95   0.02   0.02) =   0.818%  kept
    Distance limit 3.73 A violated in 20 structures by 3.87 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.941, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   8.89 +/- 1.48  59.297% * 27.6510% (1.00   0.02   0.02) =  63.457%  kept
          QD    PHE   59 - QD2   LEU   40  10.38 +/- 1.61  31.613% * 23.0961% (0.84   0.02   0.02) =  28.258%  kept
          HD1   TRP   27 - QD2   LEU   40  12.51 +/- 0.98   7.735% * 23.0961% (0.84   0.02   0.02) =   6.914%  kept
          HH2   TRP   49 - QD2   LEU   40  21.12 +/- 2.75   1.354% * 26.1568% (0.95   0.02   0.02) =   1.371%  kept
    Distance limit 3.54 A violated in 20 structures by 4.38 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.55, residual support = 18.9:
          HN    VAL   41 - QD2   LEU   40   2.67 +/- 0.68 100.000% *100.0000% (0.73   4.55  18.91) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.66, residual support = 9.97:
          HN    LEU   98 - QD2   LEU   40   2.71 +/- 0.59 100.000% *100.0000% (0.97   4.66   9.97) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 101.2:
      O   HN    LEU   40 - HB3   LEU   40   2.22 +/- 0.27  99.935% * 99.9683% (0.98  10.0   4.84 101.21) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.23 +/- 1.61   0.064% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  19.27 +/- 1.65   0.000% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.23 +/- 2.02   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.71, residual support = 101.2:
      O   HN    LEU   40 - HB2   LEU   40   2.84 +/- 0.41  99.901% * 99.9908% (0.76  10.0   4.71 101.21) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.73 +/- 1.05   0.099% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.98, residual support = 35.4:
          QG2   VAL   70 - HB2   LEU   40   4.35 +/- 0.65  35.568% * 99.9538% (0.80   3.99  35.45) =  99.916%  kept
          QG2   VAL   70 - HB2   LEU   67   3.94 +/- 1.13  64.432% *  0.0462% (0.07   0.02   0.44) =   0.084%
    Distance limit 3.49 A violated in 13 structures by 0.90 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.5:
        T QG2   VAL   70 - HB3   LEU   40   3.54 +/- 0.92  99.750% * 99.8828% (0.98 10.00   3.99  35.45) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.33 +/- 1.20   0.250% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.216, support = 5.03, residual support = 96.1:
      O T HA    LEU   40 - HG    LEU   40   3.26 +/- 0.44  67.204% * 68.6651% (0.18  10.0 10.00   5.29 101.21) =  94.394%  kept
          HA    LYS+  99 - HG    LEU   40   4.61 +/- 1.48  19.206% * 11.8996% (0.98   1.0  1.00   0.62  11.90) =   4.675%  kept
          HA    ASP- 113 - HG    LEU  115   5.87 +/- 1.39   3.898% * 11.3183% (0.53   1.0  1.00   1.08   0.02) =   0.903%  kept
          HA    ILE   56 - HG    LEU  115   6.13 +/- 1.16   3.219% *  0.1969% (0.50   1.0  1.00   0.02   0.34) =   0.013%
          HA    PHE   59 - HG    LEU  115   6.24 +/- 1.36   5.892% *  0.0774% (0.20   1.0  1.00   0.02  27.41) =   0.009%
        T HA    ASN   35 - HG    LEU   40  10.67 +/- 0.51   0.064% *  3.5163% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG    LEU   40  14.20 +/- 5.66   0.201% *  0.2996% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU   73  11.70 +/- 1.78   0.058% *  0.0717% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  12.93 +/- 1.40   0.024% *  0.1735% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.70 +/- 1.07   0.172% *  0.0128% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.53 +/- 0.75   0.028% *  0.0656% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.34 +/- 1.68   0.009% *  0.1337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  20.17 +/- 2.20   0.002% *  0.3975% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  27.30 +/- 2.29   0.000% *  2.0358% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.56 +/- 1.61   0.002% *  0.3401% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.94 +/- 1.80   0.002% *  0.3619% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  20.39 +/- 2.30   0.002% *  0.2225% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  19.49 +/- 4.15   0.004% *  0.0559% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.53 +/- 1.22   0.008% *  0.0249% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  18.15 +/- 1.34   0.003% *  0.0634% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.20 +/- 1.51   0.001% *  0.0675% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.89, residual support = 35.5:
        T QG2   VAL   70 - HG    LEU   40   3.26 +/- 0.52  98.295% * 99.2404% (0.98 10.00   5.89  35.45) =  99.997%  kept
        T QG2   VAL   70 - HG    LEU   73   6.90 +/- 0.91   1.664% *  0.1850% (0.18 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   70 - HG    LEU  115  12.46 +/- 1.66   0.041% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.5:
          QG2   VAL   70 - QD1   LEU   40   1.70 +/- 0.09 100.000% *100.0000% (0.80   3.47  35.45) = 100.000%  kept
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.47, residual support = 35.5:
          QG2   VAL   70 - QD2   LEU   40   2.99 +/- 0.61 100.000% *100.0000% (0.53   4.47  35.45) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.16 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   9.05 +/- 1.00 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.56 A violated in 20 structures by 6.49 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.69, support = 4.39, residual support = 101.2:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  86.802% * 41.4375% (0.65  10.0 10.00   4.13 101.21) =  82.778%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.94 +/- 0.23  13.026% * 57.4464% (0.90  10.0  1.00   5.61 101.21) =  17.221%  kept
        T HG    LEU   73 - QD2   LEU   40   7.90 +/- 1.38   0.058% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   7.75 +/- 1.45   0.066% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.94 +/- 1.89   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.29 +/- 1.03   0.034% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  11.01 +/- 2.38   0.009% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.45 +/- 1.04   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.72 +/- 1.60   0.002% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.245, support = 2.17, residual support = 11.9:
        T HB3   LYS+  99 - QD2   LEU   40   3.21 +/- 0.69  64.698% * 43.7944% (0.22 10.00   1.96  11.90) =  59.338%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.74 +/- 0.94  34.724% * 55.9150% (0.28 10.00   2.48  11.90) =  40.661%  kept
          HB    VAL   43 - QD2   LEU   40   7.66 +/- 0.65   0.548% *  0.0755% (0.38  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD2   LEU   40  12.40 +/- 1.05   0.025% *  0.0310% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  17.59 +/- 2.54   0.003% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  19.60 +/- 1.17   0.001% *  0.0621% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.307, support = 1.34, residual support = 2.83:
          HB2   HIS  122 - QD2   LEU   40   7.80 +/- 4.70  64.635% * 94.2358% (0.31   1.34   2.85) =  99.467%  kept
          HA    LEU   63 - QD2   LEU   40   9.44 +/- 1.32  32.717% *  0.7965% (0.18   0.02   0.02) =   0.426%
          HA    LYS+ 112 - QD2   LEU   40  15.74 +/- 1.34   1.394% *  2.5749% (0.57   0.02   0.02) =   0.059%
          HB2   HIS   22 - QD2   LEU   40  17.67 +/- 1.02   1.254% *  2.3928% (0.53   0.02   0.02) =   0.049%
    Distance limit 3.50 A violated in 12 structures by 4.35 A, kept.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.56, residual support = 11.9:
          QE    LYS+  99 - QD2   LEU   40   3.22 +/- 0.77  98.757% * 98.4515% (0.69   3.56  11.90) =  99.990%  kept
          QE    LYS+  38 - QD2   LEU   40   9.21 +/- 1.29   0.776% *  0.7433% (0.92   0.02   0.02) =   0.006%
          QE    LYS+ 102 - QD2   LEU   40   8.81 +/- 0.76   0.467% *  0.8052% (1.00   0.02   0.02) =   0.004%
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 1.23, residual support = 1.78:
        T HB3   PHE   97 - QD2   LEU   40   3.81 +/- 0.97  93.546% * 91.1871% (0.84 10.00   1.24   1.79) =  99.396%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.17 +/- 0.74   6.161% *  8.4052% (0.99  1.00   0.96   0.02) =   0.603%  kept
          QG    GLN   32 - QD2   LEU   40  12.05 +/- 0.67   0.180% *  0.0602% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.38 +/- 1.83   0.052% *  0.1670% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.18 +/- 0.87   0.023% *  0.1142% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.73 +/- 1.45   0.037% *  0.0663% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 101.2:
      O T HB2   LEU   40 - QD1   LEU   40   2.87 +/- 0.28  96.384% * 99.2435% (0.84  10.0 10.00   4.44 101.21) =  99.984%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.73 +/- 1.20   3.157% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.016%
          HB3   MET   96 - QD1   LEU   40   8.49 +/- 1.31   0.371% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.76 +/- 1.26   0.057% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  12.64 +/- 1.89   0.030% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  20.03 +/- 1.14   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 101.2:
      O   HB2   LEU   40 - QD2   LEU   40   2.32 +/- 0.46  99.655% * 96.6350% (0.34  10.0  1.00   5.44 101.21) =  99.992%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.32 +/- 1.44   0.318% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.008%
          HB    VAL   18 - QD2   LEU   40  11.87 +/- 1.43   0.021% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.65 +/- 1.44   0.005% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.26 +/- 1.40   0.001% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.27 +/- 1.27   0.000% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.789, support = 3.86, residual support = 101.2:
      O T HB3   LEU   40 - QD1   LEU   40   2.13 +/- 0.17  48.580% * 57.4671% (0.90  10.0 10.00   3.52 101.21) =  56.818%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  51.184% * 41.4524% (0.65  10.0  1.00   4.30 101.21) =  43.180%  kept
        T HG    LEU   67 - QD1   LEU   40   6.21 +/- 1.31   0.178% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - QD1   LEU   40  12.56 +/- 1.47   0.001% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.71 +/- 1.11   0.040% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40  10.63 +/- 2.27   0.007% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.88 +/- 1.29   0.008% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  13.70 +/- 1.86   0.001% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.94 +/- 0.95   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 = 0.927, support = 4.44, residual support = 97.8:
      O T QD1   LEU   40 - HB2   LEU   40   2.87 +/- 0.28  47.877% * 92.1745% (1.00  10.0 10.00   4.44 101.21) =  92.017%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.86 +/- 0.40  50.222% *  7.6201% (0.08  10.0  1.00   4.39  58.26) =   7.980%  kept
        T QD1   LEU   40 - HB2   LEU   67   5.73 +/- 1.20   1.620% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   67 - HB2   LEU   40   8.27 +/- 1.54   0.260% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  16.01 +/- 1.77   0.004% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  15.56 +/- 2.23   0.017% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 101.2:
      O T QD1   LEU   40 - HB3   LEU   40   2.13 +/- 0.17  99.843% * 99.7412% (1.00  10.0 10.00   3.52 101.21) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   7.68 +/- 1.46   0.111% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  12.56 +/- 1.47   0.003% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.69 +/- 1.00   0.032% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  11.10 +/- 1.65   0.009% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.26 +/- 1.73   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.13, residual support = 101.2:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  88.393% * 96.1741% (0.87  10.0 10.00   4.13 101.21) =  99.996%  kept
        T QD1   LEU   67 - HG    LEU   40   6.22 +/- 1.06   0.226% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  115   4.02 +/- 1.37  10.311% *  0.0112% (0.10   1.0  1.00   0.02   9.23) =   0.001%
        T QD2   LEU   40 - HG    LEU   73   7.90 +/- 1.38   0.063% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  10.92 +/- 2.26   0.010% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.81 +/- 1.51   0.028% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.59 +/- 1.05   0.776% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.05 +/- 0.81   0.087% *  0.0194% (0.18   1.0  1.00   0.02   1.94) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.67 +/- 0.76   0.020% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.94 +/- 1.89   0.001% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.81 +/- 0.68   0.040% *  0.0179% (0.16   1.0  1.00   0.02   0.39) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.79 +/- 3.20   0.020% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.06 +/- 1.32   0.001% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.93 +/- 2.18   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.05 +/- 0.52   0.015% *  0.0125% (0.11   1.0  1.00   0.02  40.97) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.80 +/- 1.25   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.91 +/- 1.54   0.001% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.48 +/- 1.13   0.002% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  17.43 +/- 2.04   0.000% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.23 +/- 2.48   0.002% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.34 +/- 1.44   0.000% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.82, residual support = 73.9:
      O T QG2   VAL   41 - QG1   VAL   41   2.05 +/- 0.06  87.752% * 95.2816% (0.87  10.0 10.00   3.83  74.09) =  99.748%  kept
          QD2   LEU   98 - QG1   VAL   41   3.62 +/- 0.97   8.963% *  2.2554% (0.69   1.0  1.00   0.60  26.65) =   0.241%
        T QD1   LEU   73 - QG1   VAL   41   4.76 +/- 1.10   2.297% *  0.3390% (0.31   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - QG2   VAL   18   6.15 +/- 1.02   0.402% *  0.2591% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   98 - QD2   LEU  104   6.03 +/- 1.07   0.324% *  0.0405% (0.04   1.0 10.00   0.02   6.17) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.50 +/- 0.73   0.045% *  0.2591% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.73 +/- 0.90   0.010% *  0.7282% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   6.87 +/- 0.77   0.086% *  0.0753% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.65 +/- 1.21   0.055% *  0.0512% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.32 +/- 1.25   0.008% *  0.3390% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41  10.23 +/- 1.40   0.008% *  0.0985% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.85 +/- 2.11   0.007% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  11.01 +/- 1.07   0.004% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  12.33 +/- 2.23   0.003% *  0.0755% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.04 +/- 1.39   0.009% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.48 +/- 2.09   0.023% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.85 +/- 1.05   0.005% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  17.06 +/- 2.00   0.000% *  0.0405% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.44, residual support = 9.31:
          QB    ALA   34 - QG2   VAL   41   3.02 +/- 0.41  98.957% * 83.5501% (0.18   1.44   9.31) =  99.977%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.76 +/- 1.34   0.729% *  1.3144% (0.20   0.02   0.02) =   0.012%
          QG2   THR   77 - QG2   VAL   41  10.91 +/- 0.99   0.064% *  6.2828% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   VAL   41   9.01 +/- 0.75   0.180% *  1.8466% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - QG2   VAL   41  11.07 +/- 0.88   0.055% *  2.9777% (0.45   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   41  14.77 +/- 2.39   0.015% *  4.0284% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.16 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 = 0.34, support = 2.62, residual support = 26.5:
        T QB    LEU   98 - QG2   VAL   41   3.65 +/- 1.49  71.127% * 94.8239% (0.34 10.00   2.64  26.65) =  99.539%  kept
          HG    LEU   73 - QG2   VAL   41   5.05 +/- 1.44  27.539% *  1.1203% (0.31  1.00   0.26   0.02) =   0.455%
          HG12  ILE   19 - QG2   VAL   41   8.96 +/- 1.54   0.804% *  0.2774% (1.00  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   80 - QG2   VAL   41  12.78 +/- 2.20   0.042% *  2.2260% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   41  10.64 +/- 1.08   0.113% *  0.1686% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   VAL   41  10.99 +/- 1.08   0.077% *  0.1910% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  12.49 +/- 2.51   0.052% *  0.2683% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.70 +/- 1.79   0.144% *  0.0619% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.43 +/- 0.99   0.033% *  0.2322% (0.84  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.66 +/- 1.52   0.016% *  0.2725% (0.98  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.51 +/- 2.52   0.017% *  0.1798% (0.65  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.68 +/- 0.83   0.019% *  0.1353% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.70 +/- 2.12   0.017% *  0.0429% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 4 structures by 0.75 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  11.26 +/- 0.94 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.96 A violated in 20 structures by 8.30 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.51, residual support = 74.1:
      O   HN    VAL   41 - HB    VAL   41   2.84 +/- 0.41 100.000% *100.0000% (0.47  10.0   4.51  74.09) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 2.71, residual support = 26.4:
          HN    LEU   98 - QG1   VAL   41   5.02 +/- 1.29  61.190% * 97.2837% (0.98   2.73  26.65) =  98.613%  kept
          HN    LEU   98 - QD2   LEU  104   5.53 +/- 1.12  38.500% *  2.1711% (0.05   1.13   6.17) =   1.385%  kept
          HN    LEU   98 - QG2   VAL   18  12.04 +/- 1.00   0.310% *  0.5452% (0.75   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 7 structures by 0.66 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.567, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.72 +/- 1.65  47.431% * 34.1212% (0.66   0.02   0.02) =  64.577%  kept
          QE    PHE   59 - HB    VAL   41  13.59 +/- 2.55  36.764% * 12.0603% (0.23   0.02   0.02) =  17.692%  kept
          HN    LYS+  66 - HB    VAL   41  16.24 +/- 0.69  11.537% * 29.5320% (0.57   0.02   0.02) =  13.595%  kept
          HN    LYS+  81 - HB    VAL   41  20.17 +/- 1.89   4.268% * 24.2865% (0.47   0.02   0.02) =   4.136%  kept
    Distance limit 3.62 A violated in 20 structures by 7.45 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.12, residual support = 23.7:
      O   HN    VAL   42 - HA    VAL   41   2.21 +/- 0.03  99.783% * 99.8070% (0.98  10.0   5.12  23.72) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.52 +/- 0.80   0.194% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.42 +/- 0.95   0.021% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.36 +/- 0.96   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.07, residual support = 40.2:
      O   HN    VAL   43 - HA    VAL   42   2.21 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.07  40.21) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.87 +/- 1.28   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 = 0.352, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.78 +/- 0.92  99.186% * 16.0745% (0.34   0.02   0.02) =  97.964%  kept
          QG2   VAL   83 - QG2   VAL   41   9.55 +/- 2.74   0.528% * 37.7342% (0.80   0.02   0.02) =   1.223%  kept
          QD1   ILE   89 - QG2   VAL   41  11.31 +/- 2.55   0.286% * 46.1912% (0.98   0.02   0.02) =   0.813%  kept
    Distance limit 2.94 A violated in 3 structures by 0.30 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 = 0.725, support = 3.56, residual support = 18.8:
        T HB    VAL   41 - HB    VAL   42   6.04 +/- 0.30   9.767% * 93.1291% (0.84 10.00   4.19  23.72) =  72.997%  kept
          HB2   LEU   71 - HB    VAL   42   4.15 +/- 0.29  76.652% *  4.3797% (0.42  1.00   1.86   5.37) =  26.942%  kept
          HB3   PRO   52 - HB2   LYS+ 112   9.24 +/- 3.62   9.191% *  0.0413% (0.37  1.00   0.02   0.02) =   0.030%
          HG2   PRO   93 - HB2   LYS+ 112  10.62 +/- 4.18   2.941% *  0.0591% (0.53  1.00   0.02   0.02) =   0.014%
        T QB    LYS+ 102 - HB    VAL   42  11.88 +/- 0.90   0.167% *  0.6243% (0.56 10.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HB    VAL   42  10.19 +/- 0.78   0.419% *  0.0963% (0.87  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB    VAL   42  10.92 +/- 1.41   0.322% *  0.0837% (0.75  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   42  11.35 +/- 0.53   0.217% *  0.0508% (0.46  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LYS+ 112  14.04 +/- 1.31   0.083% *  0.0680% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB    VAL   42  16.11 +/- 3.70   0.067% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   42  15.56 +/- 1.35   0.044% *  0.0837% (0.75  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.65 +/- 1.97   0.065% *  0.0413% (0.37  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  23.70 +/- 1.15   0.002% *  0.6572% (0.59 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  15.44 +/- 1.67   0.043% *  0.0358% (0.32  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.18 +/- 0.79   0.003% *  0.4406% (0.40 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  19.36 +/- 1.83   0.011% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  22.63 +/- 1.07   0.003% *  0.0591% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  23.43 +/- 1.32   0.003% *  0.0331% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 10 structures by 0.85 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.19, residual support = 85.1:
          HN    VAL   42 - QG2   VAL   42   3.32 +/- 0.14  85.980% * 77.9100% (0.64   5.35  88.53) =  96.012%  kept
          HN    LEU   73 - QG2   VAL   42   5.01 +/- 0.90  12.790% * 21.7347% (0.64   1.49   1.46) =   3.984%  kept
          HN    LYS+ 106 - QG2   VAL   42   7.72 +/- 0.80   0.749% *  0.2915% (0.64   0.02   0.02) =   0.003%
          HN    ILE   19 - QG2   VAL   42   7.90 +/- 0.74   0.481% *  0.0638% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.14, residual support = 40.2:
          HN    VAL   43 - QG2   VAL   42   3.51 +/- 0.27 100.000% *100.0000% (0.72   5.14  40.21) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 88.0:
      O T HA    VAL   42 - QG1   VAL   42   2.66 +/- 0.21  87.516% * 91.4849% (0.97  10.0 10.00   4.00  88.53) =  99.283%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.09  10.559% *  5.4629% (0.44   1.0  1.00   2.63  12.65) =   0.715%  kept
          HA    GLN   90 - QB    ALA   47   6.02 +/- 1.55   1.667% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.99 +/- 0.89   0.085% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47  10.25 +/- 1.39   0.042% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.54 +/- 1.00   0.005% *  0.7900% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.85 +/- 1.33   0.004% *  0.5179% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42  10.04 +/- 0.80   0.038% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47  10.63 +/- 2.39   0.062% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  17.22 +/- 1.08   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.68 +/- 2.41   0.014% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.60 +/- 0.55   0.005% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.97 +/- 0.86   0.002% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.66 +/- 1.10   0.000% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.834, support = 0.0199, residual support = 0.4:
          QD    PHE   60 - QG1   VAL   42   5.25 +/- 1.54  59.035% * 18.3095% (0.93   0.02   0.53) =  73.941%  kept
          QE    PHE   59 - QG1   VAL   42   6.51 +/- 2.17  26.558% *  6.4716% (0.33   0.02   0.02) =  11.757%  kept
          QD    PHE   60 - QB    ALA   47   8.78 +/- 1.09   6.268% * 15.8117% (0.80   0.02   0.02) =   6.780%  kept
          HN    LYS+  66 - QG1   VAL   42   8.33 +/- 0.61   4.672% * 15.8469% (0.81   0.02   0.02) =   5.064%  kept
          HN    LYS+  81 - QB    ALA   47   9.82 +/- 1.76   2.668% * 11.2543% (0.57   0.02   0.02) =   2.054%  kept
          QE    PHE   59 - QB    ALA   47  11.61 +/- 1.33   0.613% *  5.5887% (0.28   0.02   0.02) =   0.234%
          HN    LYS+  81 - QG1   VAL   42  15.99 +/- 1.00   0.114% * 13.0321% (0.66   0.02   0.02) =   0.101%
          HN    LYS+  66 - QB    ALA   47  17.51 +/- 0.85   0.072% * 13.6851% (0.70   0.02   0.02) =   0.067%
    Distance limit 2.97 A violated in 15 structures by 1.59 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.1, residual support = 63.5:
          HN    VAL   42 - QG1   VAL   42   3.47 +/- 0.10  27.715% * 85.2927% (0.77   5.41  88.53) =  71.275%  kept
          HN    LEU   73 - QG1   VAL   42   3.01 +/- 0.96  70.825% * 13.4475% (0.77   0.85   1.46) =  28.717%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.45 +/- 1.08   0.718% *  0.3151% (0.77   0.02   0.02) =   0.007%
          HN    ILE   19 - QG1   VAL   42   6.29 +/- 0.83   0.718% *  0.0689% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  12.85 +/- 0.50   0.012% *  0.2721% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.32 +/- 1.49   0.004% *  0.2721% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.62 +/- 0.78   0.003% *  0.2721% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.42 +/- 0.72   0.006% *  0.0595% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.14, residual support = 40.2:
          HN    VAL   43 - QG1   VAL   42   2.82 +/- 0.32  99.950% * 99.3950% (0.40   5.14  40.21) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.86 +/- 0.98   0.021% *  0.3343% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  12.81 +/- 1.56   0.017% *  0.1254% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.13 +/- 1.08   0.012% *  0.1453% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.08 +/- 0.95  97.864% * 53.6601% (0.43   0.02   0.02) =  98.150%  kept
          HN    LEU  104 - QB    ALA   47  17.93 +/- 1.71   2.136% * 46.3399% (0.37   0.02   0.02) =   1.850%  kept
    Distance limit 3.70 A violated in 20 structures by 4.34 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   2.61 +/- 0.32  99.625% * 95.0853% (0.29   3.75  15.95) =  99.996%  kept
          HE22  GLN   30 - QG1   VAL   42   7.31 +/- 0.68   0.284% *  0.9131% (0.53   0.02   0.02) =   0.003%
          HD22  ASN   69 - QG1   VAL   42   9.27 +/- 1.18   0.086% *  1.0503% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  16.34 +/- 0.70   0.002% *  1.1921% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.77 +/- 1.09   0.003% *  0.3881% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.32 +/- 1.29   0.000% *  1.3712% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.39, support = 2.35, residual support = 11.0:
      O   HN    ALA   47 - QB    ALA   47   2.42 +/- 0.13  92.813% * 93.4110% (0.39  10.0   2.36  11.04) =  99.483%  kept
          QD    PHE   95 - QG1   VAL   42   4.45 +/- 1.10   7.148% *  6.2982% (0.70   1.0   0.75   1.45) =   0.517%  kept
          QD    PHE   95 - QB    ALA   47   9.33 +/- 0.91   0.033% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.92 +/- 0.86   0.007% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.599, support = 3.2, residual support = 26.4:
          HB    VAL   42 - QG1   VAL   43   5.15 +/- 0.48   9.829% * 63.4253% (0.62  1.00   4.73  40.21) =  61.721%  kept
          HG    LEU   98 - QG1   VAL   43   4.68 +/- 2.29  55.463% *  4.3231% (0.58  1.00   0.34   0.32) =  23.738%  kept
        T HB3   LEU   73 - QG1   VAL   43   5.19 +/- 1.42  30.882% *  2.9830% (0.69 10.00   0.02   7.84) =   9.120%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.71 +/- 0.52   2.038% * 26.6440% (0.34  1.00   3.64  15.33) =   5.375%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.41 +/- 1.28   0.639% *  0.3692% (0.85  1.00   0.02   0.02) =   0.023%
          QB    ALA   84 - QG1   VAL   43  10.27 +/- 1.76   0.205% *  0.2983% (0.69  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - QG1   VAL   43  10.35 +/- 1.08   0.156% *  0.3125% (0.72  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QG1   VAL   43  10.33 +/- 0.90   0.164% *  0.2367% (0.54  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QG1   VAL   43  10.21 +/- 2.65   0.358% *  0.0772% (0.18  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QG1   VAL   43  11.64 +/- 1.47   0.069% *  0.3125% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG1   VAL   43  10.24 +/- 0.86   0.143% *  0.1085% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.49 +/- 0.69   0.018% *  0.2681% (0.62  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  16.09 +/- 2.97   0.013% *  0.2054% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.43 +/- 1.31   0.006% *  0.3386% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.28 +/- 2.36   0.017% *  0.0973% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.287, support = 1.54, residual support = 6.83:
        T HH2   TRP   27 - QG1   VAL   43   2.28 +/- 0.57  78.898% * 46.5907% (0.31 10.00   1.28   6.83) =  76.534%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.14 +/- 0.84  21.102% * 53.4093% (0.22 10.00   2.40   6.83) =  23.466%  kept
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.24, residual support = 60.6:
          HN    VAL   43 - QG1   VAL   43   2.51 +/- 0.45 100.000% *100.0000% (0.80   5.24  60.64) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.384, support = 3.66, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   2.89 +/- 0.34  89.241% * 80.8438% (0.39   3.71  15.33) =  97.806%  kept
          HN    ASN   28 - QD2   LEU   31   4.64 +/- 0.92   9.235% * 17.4605% (0.18   1.71  18.42) =   2.186%  kept
          HN    ASN   28 - QG2   VAL   43   7.35 +/- 1.17   0.660% *  0.7110% (0.63   0.02   0.02) =   0.006%
          HN    ASP-  44 - QD2   LEU   31   7.32 +/- 0.76   0.542% *  0.1251% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.45 +/- 1.24   0.128% *  0.4052% (0.36   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.43 +/- 0.84   0.170% *  0.1163% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.96 +/- 0.93   0.010% *  0.2627% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.54 +/- 1.23   0.015% *  0.0754% (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 = 4.24, residual support = 60.6:
      O   HN    VAL   43 - HB    VAL   43   2.81 +/- 0.27 100.000% *100.0000% (0.87  10.0   4.24  60.64) = 100.000%  kept
    Distance limit 3.41 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   3.85 +/- 0.40 100.000% *100.0000% (0.51   1.50  16.40) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.3:
        T QD    PHE   45 - HB3   ASP-  44   4.49 +/- 0.09 100.000% *100.0000% (0.80 10.00   4.41  19.26) = 100.000%  kept
    Distance limit 3.76 A violated in 1 structures by 0.73 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.47 +/- 0.45  99.959% * 99.8560% (0.98  10.0   3.70  37.78) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.60 +/- 1.39   0.015% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.13 +/- 1.29   0.026% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.13, residual support = 3.74:
          HA    LYS+  74 - HB2   ASP-  44   3.60 +/- 0.36  99.866% * 92.4545% (0.92  1.00   2.13   3.74) =  99.989%  kept
        T HA    MET   92 - HB2   ASP-  44  11.59 +/- 1.11   0.134% *  7.5455% (0.80 10.00   0.02   0.02) =   0.011%
    Distance limit 3.90 A violated in 0 structures by 0.03 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   2.75 +/- 0.35  99.984% * 99.8560% (0.98  10.0   3.03  37.78) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.87 +/- 1.09   0.005% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.29 +/- 1.06   0.010% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 3.9, residual support = 28.9:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.240% * 81.9551% (0.80  10.0   3.77  37.78) =  52.141%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.03  80.743% * 17.9245% (0.18  10.0   4.04  19.26) =  47.859%  kept
          HN    ALA  110 - HA    ASP-  44  11.13 +/- 2.52   0.016% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.25 +/- 1.12   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 = 4.58:
          HA    PHE   95 - HA    ASP-  44   2.82 +/- 0.60 100.000% *100.0000% (0.87   2.00   4.58) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.7:
        T HB    THR   94 - HB2   PHE   45   3.36 +/- 0.80  99.000% * 98.9931% (0.65 10.00   2.96  27.71) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  10.40 +/- 0.76   0.291% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.66 +/- 1.35   0.381% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  12.64 +/- 2.06   0.093% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.65 +/- 0.82   0.058% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  11.94 +/- 2.20   0.135% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.57 +/- 0.87   0.006% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.35 +/- 1.47   0.019% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  20.03 +/- 1.61   0.004% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.89 +/- 1.00   0.003% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.95 +/- 1.65   0.004% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.89 +/- 1.15   0.005% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 2 structures by 0.24 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.54:
          QG2   THR   77 - HB2   PHE   45   3.95 +/- 0.84  93.658% * 94.3279% (0.45   1.84   8.54) =  99.929%  kept
          QG2   ILE   56 - HB2   PHE   45   8.22 +/- 2.29   5.583% *  1.0281% (0.45   0.02   0.02) =   0.065%
          QG2   THR   23 - HB2   PHE   45  12.74 +/- 0.80   0.109% *  2.1692% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HB2   PHE   45  10.58 +/- 1.80   0.573% *  0.3538% (0.15   0.02   0.02) =   0.002%
          QB    ALA   34 - HB2   PHE   45  14.29 +/- 0.77   0.074% *  1.4834% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.39 +/- 1.41   0.003% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 5 structures by 0.49 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 6.43:
        T QG2   ILE   89 - HB2   PHE   45   5.00 +/- 1.96  95.485% * 99.8023% (1.00 10.00   0.75   6.43) =  99.994%  kept
          QG1   VAL   83 - HB2   PHE   45   9.63 +/- 2.28   3.094% *  0.1510% (0.57  1.00   0.02   2.11) =   0.005%
          QD1   LEU  104 - HB2   PHE   45  14.36 +/- 1.47   1.421% *  0.0467% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 11 structures by 1.39 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.54:
          QG2   THR   77 - HB3   PHE   45   2.89 +/- 0.56  99.642% * 96.7442% (0.87   2.25   8.54) =  99.998%  kept
          QB    ALA   88 - HB3   PHE   45  10.11 +/- 1.64   0.133% *  0.9826% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   PHE   45   9.22 +/- 1.64   0.179% *  0.1962% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  15.42 +/- 2.57   0.038% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.81 +/- 0.88   0.006% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.64 +/- 1.11   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.18 +/- 0.79   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 6.43:
        T QG2   ILE   89 - HB3   PHE   45   4.33 +/- 1.73 100.000% *100.0000% (0.69 10.00   0.75   6.43) = 100.000%  kept
    Distance limit 3.50 A violated in 2 structures by 0.90 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.23, residual support = 80.1:
      O   QD    PHE   45 - HB2   PHE   45   2.64 +/- 0.08  99.996% * 99.6976% (0.65  10.0   4.23  80.10) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.90 +/- 1.88   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  20.56 +/- 1.43   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  20.35 +/- 1.36   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.67, residual support = 80.1:
      O   HN    PHE   45 - HB2   PHE   45   2.54 +/- 0.35  99.304% * 99.8082% (0.73  10.0   3.67  80.10) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.21 +/- 0.40   0.634% *  0.0306% (0.22   1.0   0.02  19.26) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.52 +/- 2.26   0.057% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  14.77 +/- 1.26   0.005% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.94, residual support = 80.1:
      O   QD    PHE   45 - HB3   PHE   45   2.34 +/- 0.13  99.999% * 99.6976% (0.65  10.0   4.94  80.10) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  17.04 +/- 1.78   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  21.68 +/- 1.40   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  20.34 +/- 1.57   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 80.1:
      O   HN    PHE   45 - HB3   PHE   45   3.48 +/- 0.37  97.462% * 99.8082% (0.73  10.0   4.00  80.10) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.59 +/- 0.24   2.337% *  0.0306% (0.22   1.0   0.02  19.26) =   0.001%
          HN    ALA  110 - HB3   PHE   45  11.58 +/- 2.28   0.165% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  13.83 +/- 1.30   0.036% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.21, residual support = 3.94:
          HA    ASP-  76 - QG2   THR   46   4.29 +/- 1.50 100.000% *100.0000% (0.41   1.21   3.94) = 100.000%  kept
    Distance limit 3.29 A violated in 11 structures by 1.19 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   2.66 +/- 0.33  98.753% * 97.6984% (0.76   3.39  34.51) =  99.993%  kept
          HN    MET   92 - QG2   THR   46   7.93 +/- 1.79   0.823% *  0.4275% (0.57   0.02   0.02) =   0.004%
          HN    LYS+  74 - QG2   THR   46   7.17 +/- 1.40   0.370% *  0.7550% (1.00   0.02   0.12) =   0.003%
          HN    LYS+ 112 - QG2   THR   46  12.55 +/- 2.42   0.054% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  24.87 +/- 3.10   0.000% *  0.6307% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.6:
          HN    ALA   47 - QG2   THR   46   3.56 +/- 0.40  90.193% * 97.9532% (0.25   3.21  12.65) =  99.773%  kept
          QD    PHE   95 - QG2   THR   46   6.77 +/- 1.69   9.807% *  2.0468% (0.84   0.02   0.02) =   0.227%
    Distance limit 3.83 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 = 0.29, support = 0.505, residual support = 0.22:
          QE    LYS+  74 - QG2   THR   46   3.38 +/- 1.82  89.354% * 13.8235% (0.28   0.20   0.12) =  61.221%  kept
          QB    CYS   50 - QG2   THR   46   5.28 +/- 0.94  10.308% * 75.7548% (0.31   0.99   0.37) =  38.704%  kept
          HB2   PHE   72 - QG2   THR   46   9.42 +/- 1.69   0.278% *  4.9616% (1.00   0.02   0.02) =   0.068%
          HA    ALA   64 - QG2   THR   46  11.53 +/- 1.62   0.058% *  2.0443% (0.41   0.02   0.02) =   0.006%
          HB3   ASN   69 - QG2   THR   46  18.50 +/- 1.33   0.003% *  3.4157% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.58:
      O   HN    SER   48 - HA    SER   48   2.79 +/- 0.04  99.993% * 99.9333% (0.49  10.0   2.61   9.58) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.66 +/- 1.65   0.007% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.28 +/- 0.69   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.58, residual support = 9.58:
      O   HN    SER   48 - QB    SER   48   2.29 +/- 0.21  99.996% * 99.9496% (0.95  10.0   2.58   9.58) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.92 +/- 0.81   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.62 +/- 1.72   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.935, support = 3.99, residual support = 85.0:
      O   HN    TRP   49 - HB2   TRP   49   3.60 +/- 0.10  66.216% * 97.0957% (0.95  10.0   4.00  86.17) =  98.556%  kept
          HN    CYS   50 - HB2   TRP   49   4.07 +/- 0.39  33.784% *  2.7892% (0.15   1.0   3.52   3.58) =   1.444%  kept
          HE22  GLN   30 - HB2   TRP   49  24.76 +/- 1.16   0.001% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.59 +/- 2.27   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.72, residual support = 86.2:
      O   HD1   TRP   49 - HB2   TRP   49   3.68 +/- 0.37  99.990% * 99.6923% (0.80  10.0   4.72  86.17) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  23.49 +/- 2.37   0.002% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.18 +/- 1.99   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.01 +/- 1.23   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.79 +/- 2.34   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.0, residual support = 86.2:
      O   HN    TRP   49 - HB3   TRP   49   2.85 +/- 0.35  91.179% * 99.8654% (0.79  10.0   4.00  86.17) =  99.998%  kept
          HN    CYS   50 - HB3   TRP   49   4.30 +/- 0.35   8.821% *  0.0163% (0.13   1.0   0.02   3.58) =   0.002%
          HE22  GLN   30 - HB3   TRP   49  24.14 +/- 1.24   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.58 +/- 1.96   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.72, residual support = 86.2:
      O   HD1   TRP   49 - HB3   TRP   49   3.04 +/- 0.42  99.996% * 99.6923% (0.67  10.0   4.72  86.17) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  22.57 +/- 2.58   0.001% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.18 +/- 2.27   0.003% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.10 +/- 0.98   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.20 +/- 2.44   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.719, support = 0.02, residual support = 2.25:
          HB2   PRO   52 - HB3   TRP   49  10.92 +/- 1.39  93.353% * 45.9163% (0.72   0.02   2.31) =  97.365%  kept
          HB2   ASP-  62 - HB3   TRP   49  22.13 +/- 0.93   1.635% * 45.9163% (0.72   0.02   0.02) =   1.706%  kept
          HG2   MET   96 - HB3   TRP   49  21.62 +/- 3.06   5.012% *  8.1674% (0.13   0.02   0.02) =   0.930%  kept
    Distance limit 3.80 A violated in 20 structures by 6.97 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.474, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.42 +/- 0.85  44.068% * 16.1708% (0.47   0.02   0.02) =  45.061%  kept
          QG    GLU-  79 - HB3   TRP   49  13.47 +/- 2.95  37.034% * 13.9029% (0.41   0.02   0.02) =  32.557%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.85 +/- 2.14  13.643% * 16.1708% (0.47   0.02   0.02) =  13.950%  kept
          HB    VAL  107 - HB3   TRP   49  19.69 +/- 2.09   4.621% * 27.0190% (0.79   0.02   0.02) =   7.895%  kept
          QG    GLN   32 - HB3   TRP   49  28.06 +/- 1.79   0.317% * 22.8711% (0.67   0.02   0.02) =   0.459%
          HG2   GLU-  29 - HB3   TRP   49  27.92 +/- 1.64   0.316% *  3.8655% (0.11   0.02   0.02) =   0.077%
    Distance limit 3.86 A violated in 20 structures by 6.75 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.54, residual support = 6.89:
          QB    ALA   47 - QB    CYS   50   3.27 +/- 0.64  99.257% * 98.7952% (0.65   3.54   6.89) =  99.998%  kept
          HG2   LYS+ 112 - QB    CYS   50  11.70 +/- 2.57   0.638% *  0.1922% (0.22   0.02   0.02) =   0.001%
          QB    ALA   64 - QB    CYS   50  12.89 +/- 1.34   0.052% *  0.5584% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  12.64 +/- 1.30   0.052% *  0.4542% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 1.51, residual support = 8.1:
        T HB2   CYS   53 - QB    CYS   50   2.70 +/- 0.77  90.549% * 89.6208% (1.00 10.00   1.50   8.19) =  98.855%  kept
          HD3   PRO   52 - QB    CYS   50   4.73 +/- 1.01   9.303% * 10.1041% (0.73  1.00   2.32   0.02) =   1.145%  kept
          HD2   PRO   58 - QB    CYS   50   9.56 +/- 1.12   0.140% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  15.51 +/- 1.70   0.004% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.59 +/- 1.19   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.80 +/- 1.67   0.003% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.99 +/- 1.79   0.000% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.5, residual support = 7.35:
      O   HN    CYS   50 - QB    CYS   50   2.80 +/- 0.42  92.676% * 88.0721% (0.80  10.0   1.49   7.39) =  98.950%  kept
          HN    TRP   49 - QB    CYS   50   4.45 +/- 0.39   7.317% * 11.8406% (0.65   1.0   2.48   3.58) =   1.050%  kept
          HN    VAL   83 - QB    CYS   50  14.62 +/- 1.57   0.006% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.72 +/- 1.50   0.002% *  0.0369% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 9.96:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.990% * 97.0144% (0.87  10.0 10.00   2.81   9.96) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.61 +/- 0.74   0.008% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.02 +/- 2.14   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.67 +/- 1.93   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.44 +/- 1.90   0.001% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.70 +/- 1.35   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  23.73 +/- 2.07   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.65 +/- 1.94   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.47 +/- 0.87   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.38 +/- 1.22   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.96, support = 2.14, residual support = 21.4:
          QB    PHE   55 - HB2   PRO   52   4.38 +/- 0.29  57.147% * 11.1468% (0.92   0.69   0.59) =  41.602%  kept
          HB3   CYS   53 - HB2   PRO   52   6.14 +/- 0.82   7.555% * 78.4667% (0.99   4.51  54.59) =  38.716%  kept
          HD3   PRO   93 - HB2   PRO   52   5.63 +/- 2.29  33.813% *  8.9009% (0.98   0.52   0.24) =  19.656%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.24 +/- 0.81   0.769% *  0.3385% (0.97   0.02   1.75) =   0.017%
          HB2   PHE   59 - HB2   PRO   52  11.12 +/- 1.47   0.516% *  0.2409% (0.69   0.02   0.02) =   0.008%
          HD3   PRO   93 - HG2   MET   96  14.02 +/- 1.35   0.073% *  0.1010% (0.29   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.17 +/- 1.68   0.034% *  0.1021% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.79 +/- 2.43   0.045% *  0.0708% (0.20   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.77 +/- 2.09   0.029% *  0.0951% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.35 +/- 1.60   0.013% *  0.0994% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.40 +/- 1.97   0.002% *  0.3385% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  22.53 +/- 2.07   0.004% *  0.0994% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.405, support = 1.15, residual support = 8.07:
        T HD3   PRO   93 - HB3   PRO   52   5.19 +/- 1.86  38.730% * 55.1406% (0.41 10.00   0.51   0.24) =  70.913%  kept
          QB    PHE   55 - HB3   PRO   52   4.37 +/- 0.38  46.336% *  9.5810% (0.53  1.00   0.70   0.59) =  14.741%  kept
          HB3   CYS   53 - HB3   PRO   52   5.57 +/- 0.79  13.819% * 31.2087% (0.25  1.00   4.78  54.59) =  14.321%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.19 +/- 0.74   0.572% *  1.0366% (0.20 10.00   0.02   1.75) =   0.020%
          HB2   PHE   59 - HB3   PRO   52  10.68 +/- 1.58   0.402% *  0.4194% (0.80  1.00   0.02   0.02) =   0.006%
        T HD3   PRO   68 - HB3   PRO   52  23.95 +/- 2.14   0.002% *  2.3484% (0.45 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  19.04 +/- 3.35   0.029% *  0.1189% (0.02 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.46 +/- 1.47   0.042% *  0.0247% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.67 +/- 1.81   0.050% *  0.0150% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.98 +/- 2.18   0.015% *  0.0316% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.57 +/- 1.80   0.003% *  0.0481% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  28.00 +/- 1.07   0.001% *  0.0269% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.612, support = 0.325, residual support = 0.0197:
          HB3   LEU  115 - HB2   PRO   52  10.75 +/- 1.53   4.377% * 49.8548% (0.84   0.38   0.02) =  60.305%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.33 +/- 1.79   2.907% * 22.6426% (0.29   0.50   0.02) =  18.191%  kept
          QB    ALA  110 - HB2   PRO   52   5.97 +/- 2.86  66.496% *  0.8664% (0.28   0.02   0.02) =  15.922%  kept
          HG    LEU  115 - HB2   PRO   52  10.79 +/- 1.96   7.060% *  0.8664% (0.28   0.02   0.02) =   1.690%  kept
          HG    LEU   40 - HG2   MET   96   9.78 +/- 1.47   7.170% *  0.7646% (0.25   0.02   0.02) =   1.515%  kept
          HG    LEU   73 - HG2   MET   96  11.09 +/- 0.88   3.286% *  0.8834% (0.28   0.02   0.02) =   0.802%  kept
          QB    ALA   61 - HB2   PRO   52  12.99 +/- 1.25   0.935% *  1.5168% (0.49   0.02   0.02) =   0.392%
          HB3   LEU  115 - HG2   MET   96  13.58 +/- 2.23   1.364% *  0.7646% (0.25   0.02   0.02) =   0.288%
          QB    ALA  110 - HG2   MET   96  12.52 +/- 1.49   2.278% *  0.2545% (0.08   0.02   0.02) =   0.160%
          QG    LYS+  66 - HB2   PRO   52  17.98 +/- 1.90   0.128% *  2.6029% (0.84   0.02   0.02) =   0.092%
          QB    ALA  120 - HB2   PRO   52  16.47 +/- 1.98   0.357% *  0.8664% (0.28   0.02   0.02) =   0.085%
          HB3   LEU   67 - HG2   MET   96  14.88 +/- 1.68   0.470% *  0.5922% (0.19   0.02   0.02) =   0.077%
          HG    LEU   67 - HG2   MET   96  15.35 +/- 1.51   0.403% *  0.6647% (0.21   0.02   0.02) =   0.074%
          QG    LYS+  66 - HG2   MET   96  16.25 +/- 1.73   0.320% *  0.7646% (0.25   0.02   0.02) =   0.068%
          HG    LEU   73 - HB2   PRO   52  20.93 +/- 2.18   0.065% *  3.0074% (0.97   0.02   0.02) =   0.054%
          QB    ALA   61 - HG2   MET   96  15.01 +/- 0.95   0.364% *  0.4456% (0.14   0.02   0.02) =   0.045%
          HG    LEU   80 - HG2   MET   96  16.16 +/- 3.04   0.472% *  0.2825% (0.09   0.02   0.02) =   0.037%
          QB    ALA  120 - HG2   MET   96  14.96 +/- 1.89   0.491% *  0.2545% (0.08   0.02   0.02) =   0.035%
          HG    LEU   80 - HB2   PRO   52  19.75 +/- 2.35   0.124% *  0.9618% (0.31   0.02   0.02) =   0.033%
          HG    LEU  115 - HG2   MET   96  15.24 +/- 2.28   0.402% *  0.2545% (0.08   0.02   0.02) =   0.028%
          HG    LEU   67 - HB2   PRO   52  22.31 +/- 2.83   0.043% *  2.2628% (0.73   0.02   0.02) =   0.027%
          HG12  ILE   19 - HG2   MET   96  16.37 +/- 2.27   0.380% *  0.2038% (0.07   0.02   0.02) =   0.021%
          HG    LEU   40 - HB2   PRO   52  23.41 +/- 2.55   0.029% *  2.6029% (0.84   0.02   0.02) =   0.021%
          HB3   LEU   67 - HB2   PRO   52  22.06 +/- 1.98   0.036% *  2.0159% (0.65   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - HB2   PRO   52  28.14 +/- 3.38   0.011% *  3.1093% (1.00   0.02   0.02) =   0.010%
          HG12  ILE   19 - HB2   PRO   52  23.61 +/- 2.07   0.031% *  0.6938% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.10 A violated in 14 structures by 2.04 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 = 0.652, support = 0.0199, residual support = 0.16:
          HB3   PRO   93 - HD2   PRO   52   7.69 +/- 1.10  71.995% *  5.3763% (0.65  1.00   0.02   0.24) =  64.036%  kept
          HG2   LYS+ 111 - HD2   PRO   52  12.45 +/- 2.91   8.352% *  6.9417% (0.84  1.00   0.02   0.02) =   9.592%  kept
          QB    ALA   84 - HD2   PRO   52  11.69 +/- 1.37   9.439% *  5.7087% (0.69  1.00   0.02   0.02) =   8.915%  kept
        T QB    ALA   88 - HD2   PRO   52  13.70 +/- 1.47   3.058% * 14.5547% (0.18 10.00   0.02   0.02) =   7.363%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.75 +/- 1.51   4.351% *  8.1462% (0.98  1.00   0.02   0.02) =   5.863%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.22 +/- 2.36   0.674% * 12.8231% (0.15 10.00   0.02   0.02) =   1.431%  kept
          HB2   LEU   63 - HD2   PRO   52  16.17 +/- 1.59   0.934% *  8.3107% (1.00  1.00   0.02   0.02) =   1.285%  kept
          HB3   LEU   80 - HD2   PRO   52  17.10 +/- 1.55   0.803% *  8.1462% (0.98  1.00   0.02   0.02) =   1.083%  kept
          HG    LEU   98 - HD2   PRO   52  22.38 +/- 2.77   0.216% *  6.6547% (0.80  1.00   0.02   0.02) =   0.237%
          QB    ALA  124 - HD2   PRO   52  24.26 +/- 1.20   0.078% *  7.4533% (0.90  1.00   0.02   0.02) =   0.096%
          HB2   LEU   31 - HD2   PRO   52  26.03 +/- 1.54   0.054% *  7.4533% (0.90  1.00   0.02   0.02) =   0.066%
          HG2   LYS+  99 - HD2   PRO   52  28.62 +/- 1.88   0.034% *  4.7052% (0.57  1.00   0.02   0.02) =   0.026%
          HG2   LYS+  38 - HD2   PRO   52  33.25 +/- 1.86   0.012% *  3.7260% (0.45  1.00   0.02   0.02) =   0.008%
    Distance limit 3.55 A violated in 20 structures by 3.64 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.52, residual support = 224.3:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.992% * 97.1447% (0.80  10.0 10.00   7.52 224.35) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.71 +/- 0.71   0.008% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.32 +/- 2.19   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.57 +/- 1.85   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.28 +/- 2.22   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.70 +/- 1.20   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.40 +/- 1.85   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.03 +/- 1.93   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.20 +/- 1.08   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.32 +/- 1.89   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.54 +/- 1.31   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.03 +/- 1.36   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.47 +/- 1.69   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.52, residual support = 224.3:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.432% * 98.5557% (0.87  10.0 10.00   7.52 224.35) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.30 +/- 0.44   0.567% *  0.0426% (0.38   1.0  1.00   0.02  54.59) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.39 +/- 1.52   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.52 +/- 1.76   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.67 +/- 1.75   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.28 +/- 1.26   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.83 +/- 1.44   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.72 +/- 1.80   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.13 +/- 1.53   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.8:
      O   HA1   GLY   51 - HD3   PRO   52   2.58 +/- 0.31  99.941% * 97.0168% (0.76  10.0  1.00   3.95  14.85) = 100.000%  kept
          HA    ALA   57 - HD3   PRO   52  11.07 +/- 1.09   0.030% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HD3   PRO   52  12.25 +/- 1.51   0.013% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.58 +/- 1.54   0.011% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.48 +/- 2.97   0.001% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.78 +/- 1.96   0.002% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.73 +/- 2.11   0.001% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.38 +/- 2.02   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.02 +/- 1.64   0.001% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.32 +/- 2.93   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.32 +/- 2.80   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.3, residual support = 14.8:
      O   HA1   GLY   51 - HD2   PRO   52   3.35 +/- 0.17  99.841% * 92.3448% (0.34  10.0  1.00   5.30  14.85) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52  11.10 +/- 1.24   0.094% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  17.09 +/- 1.75   0.008% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.19 +/- 1.35   0.041% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.49 +/- 2.51   0.002% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.49 +/- 1.94   0.009% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.19 +/- 1.45   0.003% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.05 +/- 1.70   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.46 +/- 2.32   0.001% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.54 +/- 1.86   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  36.90 +/- 3.07   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.88 +/- 2.94   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 224.3:
      O   HG2   PRO   52 - HD3   PRO   52   2.60 +/- 0.31  99.061% * 99.6603% (0.90  10.0   6.60 224.35) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   7.55 +/- 2.31   0.921% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  12.90 +/- 2.29   0.012% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.27 +/- 1.10   0.004% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.35 +/- 1.96   0.002% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.98 +/- 1.35   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  36.08 +/- 1.56   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 224.3:
      O   HG3   PRO   52 - HD3   PRO   52   2.60 +/- 0.31  99.838% * 99.3977% (0.97  10.0  1.00   6.60 224.35) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.96 +/- 1.46   0.155% *  0.2038% (0.20   1.0 10.00   0.02   0.24) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.51 +/- 1.11   0.007% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.75 +/- 1.62   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.16 +/- 2.52   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.60 +/- 1.61   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.98 +/- 1.43   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  38.59 +/- 3.17   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.77, residual support = 224.3:
      O   HB3   PRO   52 - HD3   PRO   52   3.95 +/- 0.27  96.172% * 98.5682% (0.57  10.0   6.77 224.35) =  99.994%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.39 +/- 0.47   2.653% *  0.1647% (0.95   1.0   0.02   1.75) =   0.005%
          HB3   GLN   90 - HD3   PRO   52  11.64 +/- 2.02   0.246% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   PRO   52   9.67 +/- 1.61   0.734% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  15.68 +/- 2.60   0.106% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  15.91 +/- 2.35   0.069% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.61 +/- 2.58   0.006% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.82 +/- 3.46   0.004% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.08 +/- 2.43   0.002% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.26 +/- 3.25   0.003% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.28 +/- 1.74   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.41 +/- 1.43   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.48 +/- 2.08   0.002% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.00 +/- 2.21   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 54.6:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  99.986% * 99.3022% (0.61   6.10  54.59) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.89 +/- 1.65   0.013% *  0.2014% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.73 +/- 1.15   0.001% *  0.3472% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.36 +/- 1.79   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 3.78, residual support = 14.8:
          HN    GLY   51 - HD3   PRO   52   2.39 +/- 0.55  99.996% * 99.5057% (0.92   3.78  14.85) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.74 +/- 2.56   0.004% *  0.4943% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.76, residual support = 1.73:
          HN    ARG+  54 - HD2   PRO   52   4.15 +/- 0.22  86.639% * 83.3631% (0.61   1.79   1.75) =  97.651%  kept
          HN    PHE   55 - HD2   PRO   52   5.70 +/- 0.36  13.299% * 13.0564% (0.73   0.23   0.59) =   2.348%  kept
          HN    ASP-  62 - HD2   PRO   52  15.65 +/- 0.92   0.033% *  1.4153% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  16.69 +/- 1.50   0.025% *  0.3823% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.10 +/- 1.35   0.002% *  1.4796% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.78 +/- 1.69   0.000% *  0.3034% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 54.6:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.01  99.999% * 99.4797% (0.61   8.20  54.59) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.55 +/- 1.50   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.26 +/- 1.05   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.93 +/- 1.54   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.19:
          QB    CYS   50 - HB3   CYS   53   3.13 +/- 0.81  97.649% * 96.8478% (0.92   1.50   8.19) =  99.970%  kept
          QE    LYS+  74 - HB3   CYS   53   8.32 +/- 1.46   1.812% *  1.3233% (0.95   0.02   0.02) =   0.025%
          HB3   ASP-  78 - HB3   CYS   53  11.64 +/- 2.36   0.516% *  0.7920% (0.57   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB3   CYS   53  15.29 +/- 1.50   0.021% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.35 +/- 1.13   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.19:
        T QB    CYS   50 - HB2   CYS   53   2.70 +/- 0.77  99.350% * 99.6254% (0.92 10.00   1.50   8.19) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   8.54 +/- 1.26   0.564% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  11.61 +/- 2.28   0.075% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.69 +/- 1.46   0.010% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.80 +/- 1.42   0.000% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.01 +/- 1.34  98.039% * 41.1882% (0.95 10.00   0.02   0.02) =  99.836%  kept
          QB    ALA   91 - HA    CYS   53   8.77 +/- 1.68   1.331% *  3.9049% (0.90  1.00   0.02   0.02) =   0.129%
          HG2   LYS+  74 - HA    CYS   53  11.00 +/- 1.05   0.548% *  1.4852% (0.34  1.00   0.02   0.02) =   0.020%
        T HG13  ILE   19 - HA    CYS   53  19.48 +/- 1.17   0.014% * 24.6510% (0.57 10.00   0.02   0.02) =   0.009%
        T HG    LEU   71 - HA    CYS   53  21.22 +/- 1.22   0.009% * 13.4389% (0.31 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HA    CYS   53  20.03 +/- 0.83   0.015% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYS   53  19.88 +/- 0.68   0.015% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    CYS   53  17.53 +/- 1.16   0.024% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYS   53  25.37 +/- 1.31   0.004% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  30.64 +/- 1.16   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 3 structures by 0.42 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 = 44.3:
      O   HN    CYS   53 - HA    CYS   53   2.75 +/- 0.04  99.996% * 99.7861% (0.61  10.0   4.78  44.27) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.61 +/- 1.19   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  21.88 +/- 1.17   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.12 +/- 0.80   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 44.3:
      O   HN    CYS   53 - HB2   CYS   53   2.67 +/- 0.34  99.992% * 99.7861% (0.61  10.0   4.92  44.27) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.05 +/- 1.47   0.007% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.95 +/- 1.17   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.46 +/- 0.75   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.51, residual support = 31.9:
          HN    ARG+  54 - HB2   CYS   53   3.12 +/- 0.30  94.855% * 98.9877% (0.97   5.51  31.88) =  99.994%  kept
          HN    PHE   55 - HB2   CYS   53   5.10 +/- 0.25   5.116% *  0.1150% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   CYS   53  12.59 +/- 1.27   0.028% *  0.3524% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.79 +/- 0.73   0.001% *  0.3341% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  29.35 +/- 0.74   0.000% *  0.2109% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 31.9:
          HN    ARG+  54 - HB3   CYS   53   3.84 +/- 0.27  99.895% * 99.1729% (0.87   5.36  31.88) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.56 +/- 1.09   0.102% *  0.2244% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.14 +/- 0.80   0.003% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.66 +/- 0.73   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.69, residual support = 159.0:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.88 +/- 0.16  97.398% * 99.8484% (0.87  10.0 10.00   4.69 159.00) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   6.00 +/- 1.24   2.596% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  16.52 +/- 2.84   0.005% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.19 +/- 1.94   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.78 +/- 2.25   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 159.0:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.934% * 99.6886% (0.87  10.0 10.00   3.58 159.00) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.86 +/- 0.92   0.050% *  0.0559% (0.49   1.0  1.00   0.02   3.12) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.93 +/- 0.67   0.014% *  0.0920% (0.80   1.0  1.00   0.02  31.88) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.52 +/- 1.06   0.001% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.80 +/- 1.54   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.59 +/- 2.18   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.58, residual support = 159.0:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.58 159.00) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  24.25 +/- 4.03   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 = 159.0:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.67 +/- 0.29  96.121% * 99.8484% (0.87  10.0 10.00   3.74 159.00) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   6.06 +/- 1.28   3.876% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  17.06 +/- 2.67   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.50 +/- 1.90   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.54 +/- 2.37   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 159.0:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.58 +/- 0.31  99.913% * 97.6350% (0.49  10.0 10.00   3.89 159.00) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.95 +/- 0.94   0.044% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  11.43 +/- 1.82   0.026% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.09 +/- 1.93   0.007% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  18.70 +/- 3.47   0.004% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  17.47 +/- 2.83   0.003% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  18.82 +/- 1.44   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  26.19 +/- 2.24   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.65 +/- 2.77   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.82 +/- 1.75   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.39 +/- 2.44   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.25 +/- 2.20   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.79 +/- 2.22   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 159.0:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.20 +/- 0.38  99.901% * 99.0727% (0.73  10.0   4.02 159.00) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  12.12 +/- 1.66   0.070% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.00 +/- 1.76   0.006% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  18.36 +/- 2.13   0.006% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.23 +/- 2.09   0.012% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.67 +/- 2.83   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  20.45 +/- 3.12   0.003% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  26.14 +/- 2.89   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.34 +/- 2.58   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  24.37 +/- 2.42   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.26 +/- 3.76   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.37 +/- 2.69   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 159.0:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.975% * 97.1361% (0.92  10.0 10.00   4.97 159.00) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.20 +/- 1.11   0.008% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.16 +/- 0.88   0.014% *  0.0208% (0.20   1.0  1.00   0.02   1.75) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  17.78 +/- 3.22   0.001% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  16.16 +/- 2.85   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.83 +/- 1.96   0.001% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  17.88 +/- 1.60   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.97 +/- 1.94   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  26.17 +/- 1.64   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  23.04 +/- 1.75   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  23.03 +/- 1.62   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.24 +/- 2.19   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.06 +/- 2.16   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  34.23 +/- 1.69   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.11, residual support = 159.0:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.65 +/- 0.20  99.987% * 97.7423% (0.31  10.0   5.11 159.00) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.23 +/- 1.67   0.003% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.14 +/- 2.39   0.003% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.56 +/- 1.25   0.001% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.21 +/- 1.33   0.003% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  20.52 +/- 2.45   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.35 +/- 1.92   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  24.32 +/- 1.86   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.67 +/- 2.25   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.11 +/- 2.12   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.25 +/- 2.36   0.001% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  26.66 +/- 3.05   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.62 +/- 2.40   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 = 159.0:
      O   HA    ARG+  54 - HG3   ARG+  54   3.32 +/- 0.46  99.947% * 99.5710% (1.00  10.0   4.76 159.00) = 100.000%  kept
          HA    LYS+  81 - HG3   ARG+  54  18.45 +/- 3.20   0.028% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HG3   ARG+  54  15.57 +/- 1.32   0.018% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.25 +/- 1.19   0.005% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.57 +/- 2.33   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.30 +/- 1.66   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.78 +/- 1.86   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.93 +/- 3.16   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  36.05 +/- 1.91   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 159.0:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.29  99.999% * 99.9462% (0.76  10.0 10.00   3.74 159.00) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  23.36 +/- 3.46   0.001% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 4.68, residual support = 157.9:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.88 +/- 0.16  92.849% * 90.2674% (0.87  10.0 10.00   4.69 159.00) =  99.302%  kept
          QB    PHE   55 - HG3   ARG+  54   5.97 +/- 1.18   6.194% *  9.5012% (0.49   1.0  1.00   3.75   3.12) =   0.697%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.55 +/- 0.60   0.869% *  0.0833% (0.80   1.0  1.00   0.02  31.88) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54  10.17 +/- 1.40   0.068% *  0.0631% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  12.30 +/- 1.24   0.020% *  0.0259% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  24.50 +/- 1.85   0.000% *  0.0589% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.48, residual support = 159.0:
          HN    ARG+  54 - HG3   ARG+  54   3.53 +/- 0.47  99.951% * 99.3149% (0.87   6.48 159.00) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  14.14 +/- 1.48   0.048% *  0.1859% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.92 +/- 2.12   0.001% *  0.1584% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  33.21 +/- 1.83   0.000% *  0.3409% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 159.0:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.164% * 98.1061% (0.87  10.0 10.00   4.97 159.00) =  99.999%  kept
        T HB3   LEU  123 - HG3   PRO   68  12.93 +/- 4.01   0.440% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   ARG+  54   5.12 +/- 0.99   0.395% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  15.90 +/- 2.42   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.27 +/- 1.51   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.50 +/- 1.71   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.28 +/- 1.62   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  26.17 +/- 1.64   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.39 +/- 0.88   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.33 +/- 2.84   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.138, support = 2.76, residual support = 35.8:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  89.730% * 33.8555% (0.12  10.0  1.00   2.31  35.77) =  82.498%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.62 +/- 0.32  10.218% * 63.0750% (0.22  10.0  1.00   4.90  35.77) =  17.502%  kept
          QB    GLU-  15 - HG3   PRO   68   7.76 +/- 2.07   0.049% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  11.54 +/- 1.72   0.002% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  14.97 +/- 1.78   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  14.82 +/- 1.30   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  19.46 +/- 2.37   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  13.89 +/- 0.94   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.12 +/- 2.13   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.20 +/- 2.31   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.84 +/- 1.38   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.11 +/- 1.85   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.35 +/- 1.89   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.33 +/- 2.33   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.29 +/- 1.91   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  25.88 +/- 2.98   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.56 +/- 1.26   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.68 +/- 2.19   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.87 +/- 2.81   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.99 +/- 1.84   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  18.24 +/- 1.38   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  19.25 +/- 2.05   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.35 +/- 1.05   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.70 +/- 2.31   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 = 0.722, support = 4.69, residual support = 134.0:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.16  39.697% * 84.7016% (0.87  10.0 10.00   4.66 159.00) =  79.736%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.29  57.915% * 14.7520% (0.15  10.0  1.00   4.83  35.77) =  20.261%  kept
          QB    PHE   55 - HG2   ARG+  54   5.92 +/- 1.05   1.676% *  0.0475% (0.49   1.0  1.00   0.02   3.12) =   0.002%
          HB3   CYS   53 - HG2   ARG+  54   5.94 +/- 0.80   0.670% *  0.0782% (0.80   1.0  1.00   0.02  31.88) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.78 +/- 0.99   0.028% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.46 +/- 1.30   0.012% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.17 +/- 2.23   0.000% *  0.2260% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.48 +/- 1.80   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.18 +/- 0.83   0.001% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.33 +/- 1.20   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.92 +/- 1.52   0.000% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.02 +/- 2.06   0.000% *  0.0158% (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 = 159.0:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.58 +/- 0.31 100.000% * 99.7339% (0.31  10.0 10.00   3.89 159.00) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  26.19 +/- 2.24   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 = 159.0:
      O T HA    ARG+  54 - HG2   ARG+  54   2.46 +/- 0.49  99.922% * 97.8074% (1.00  10.0 10.00   4.74 159.00) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.91 +/- 1.27   0.008% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  18.12 +/- 2.98   0.004% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  12.12 +/- 3.77   0.053% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.77 +/- 1.56   0.002% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.51 +/- 1.52   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.99 +/- 1.27   0.003% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.78 +/- 1.15   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.61 +/- 2.43   0.003% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.40 +/- 1.76   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.69 +/- 2.39   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  20.89 +/- 1.47   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  30.71 +/- 1.47   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.89 +/- 1.09   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.86 +/- 2.32   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.76 +/- 1.81   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.05 +/- 3.09   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  35.04 +/- 1.84   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 159.0:
          HN    ARG+  54 - HG2   ARG+  54   3.27 +/- 0.35  99.913% * 99.0372% (0.87   6.38 159.00) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  13.12 +/- 1.38   0.038% *  0.1884% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.47 +/- 0.90   0.040% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  17.52 +/- 1.32   0.006% *  0.0922% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  20.29 +/- 1.08   0.002% *  0.0428% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  25.98 +/- 2.13   0.001% *  0.1605% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.87 +/- 1.14   0.001% *  0.0829% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  32.19 +/- 1.79   0.000% *  0.3456% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   5.58 +/- 0.97  97.942% * 19.4000% (0.97   0.02   0.02) =  98.294%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  14.58 +/- 2.73   1.029% * 19.7041% (0.98   0.02   0.02) =   1.049%  kept
          HD2   LYS+  74 - HB3   ARG+  54  13.57 +/- 2.12   0.766% * 14.5972% (0.73   0.02   0.02) =   0.578%  kept
          QD    LYS+  65 - HB3   ARG+  54  16.57 +/- 1.56   0.180% *  3.5205% (0.18   0.02   0.02) =   0.033%
          HB3   LEU  123 - HB3   ARG+  54  23.28 +/- 1.60   0.026% * 19.4000% (0.97   0.02   0.02) =   0.026%
          QD    LYS+  33 - HB3   ARG+  54  27.06 +/- 1.51   0.010% * 19.4000% (0.97   0.02   0.02) =   0.010%
          HB2   LYS+ 121 - HB3   ARG+  54  21.29 +/- 1.34   0.047% *  3.9782% (0.20   0.02   0.02) =   0.010%
    Distance limit 3.02 A violated in 20 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.43, residual support = 159.0:
      O   HN    ARG+  54 - HB3   ARG+  54   2.39 +/- 0.51  99.988% * 99.7769% (0.87  10.0   4.43 159.00) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.66 +/- 1.17   0.012% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.67 +/- 1.82   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.75 +/- 1.56   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 159.0:
      O   HN    ARG+  54 - HB2   ARG+  54   3.17 +/- 0.51  99.933% * 99.6984% (0.87  10.0   6.38 159.00) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.43 +/- 1.24   0.027% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  15.78 +/- 1.82   0.009% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.23 +/- 1.57   0.014% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.07 +/- 4.36   0.006% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  17.65 +/- 1.94   0.005% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  21.49 +/- 4.44   0.005% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.18 +/- 2.04   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  33.08 +/- 1.68   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.96 +/- 2.22   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.13 +/- 1.68   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  35.43 +/- 2.78   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 27.4:
          QE    PHE   59 - HA    LEU  115   2.82 +/- 0.69  98.142% * 83.3682% (0.25   1.50  27.41) =  99.966%  kept
          QD    PHE   60 - HA    ARG+  54   7.85 +/- 1.23   0.501% *  2.5542% (0.57   0.02   0.02) =   0.016%
          HN    PHE   59 - HA    ARG+  54   8.47 +/- 1.04   0.380% *  1.8547% (0.41   0.02   0.02) =   0.009%
          HN    PHE   59 - HA    LEU  115   7.58 +/- 1.07   0.566% *  0.5707% (0.13   0.02  27.41) =   0.004%
          QD    PHE   60 - HA    LEU  115   9.19 +/- 1.07   0.318% *  0.7859% (0.17   0.02   0.02) =   0.003%
          QE    PHE   59 - HA    ARG+  54  11.48 +/- 1.39   0.051% *  3.6125% (0.80   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    LEU  115  12.43 +/- 1.03   0.032% *  1.3607% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    ARG+  54  16.83 +/- 1.35   0.004% *  4.4221% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    ARG+  54  19.15 +/- 2.94   0.005% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  24.42 +/- 1.77   0.001% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.921, support = 6.1, residual support = 148.4:
      O   HN    ARG+  54 - HA    ARG+  54   2.76 +/- 0.05  81.419% * 75.5578% (0.97  10.0   6.33 159.00) =  93.227%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.03  18.494% * 24.1648% (0.31  10.0   2.96   3.12) =   6.773%  kept
          HN    ASP-  62 - HA    ARG+  54  11.39 +/- 1.18   0.020% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.21 +/- 0.87   0.037% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.02 +/- 1.11   0.009% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.41 +/- 1.05   0.020% *  0.0074% (0.09   1.0   0.02   5.62) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.95 +/- 2.03   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.61 +/- 1.25   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.92 +/- 1.52   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.81 +/- 1.73   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 19.0:
          HN    ILE   56 - QB    PHE   55   2.88 +/- 0.35  97.962% * 97.4345% (0.57   4.27  19.02) =  99.996%  kept
          HN    LYS+ 111 - QB    PHE   55   7.41 +/- 2.07   1.749% *  0.1795% (0.22   0.02   0.02) =   0.003%
          QE    PHE   60 - QB    PHE   55   9.86 +/- 1.84   0.253% *  0.2010% (0.25   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    PHE   55  11.72 +/- 0.75   0.032% *  0.5538% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  20.16 +/- 2.22   0.001% *  0.6735% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.81 +/- 1.42   0.001% *  0.7781% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.87 +/- 1.50   0.002% *  0.1795% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.89, residual support = 20.3:
      O   HN    PHE   55 - QB    PHE   55   2.05 +/- 0.08  98.628% * 99.5965% (0.73  10.0   2.89  20.31) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.21 +/- 0.13   1.367% *  0.0832% (0.61   1.0   0.02   3.12) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.90 +/- 0.65   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.89 +/- 1.00   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.30 +/- 1.56   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  28.30 +/- 1.10   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.74 +/- 0.97  94.300% * 36.5548% (0.90   0.02   0.02) =  96.688%  kept
          HN    LYS+  66 - QB    PHE   55  15.41 +/- 0.84   3.537% * 16.7569% (0.41   0.02   0.02) =   1.663%  kept
          HN    LYS+  81 - QB    PHE   55  19.62 +/- 2.06   1.325% * 40.3993% (0.99   0.02   0.02) =   1.502%  kept
          HE3   TRP   27 - QB    PHE   55  19.74 +/- 1.09   0.838% *  6.2891% (0.15   0.02   0.02) =   0.148%
    Distance limit 3.18 A violated in 20 structures by 5.48 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.02, residual support = 123.7:
      O   HN    ILE   56 - HB    ILE   56   3.00 +/- 0.56  96.965% * 98.8687% (0.25  10.0   6.02 123.71) =  99.993%  kept
          QE    PHE   60 - HB    ILE   56   8.49 +/- 2.02   2.562% *  0.2245% (0.57   1.0   0.02   3.89) =   0.006%
          HN    LEU   63 - HB    ILE   56   9.40 +/- 1.42   0.470% *  0.1353% (0.34   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB    ILE   56  20.69 +/- 3.00   0.002% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.89 +/- 2.39   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.544, support = 2.11, residual support = 13.3:
          QD    PHE   55 - HB    ILE   56   4.41 +/- 1.15  54.833% * 61.5673% (0.41   2.74  19.02) =  68.622%  kept
          QE    PHE   95 - HB    ILE   56   5.77 +/- 2.67  45.026% * 34.2813% (0.84   0.75   0.76) =  31.376%  kept
          HD1   TRP   49 - HB    ILE   56  13.83 +/- 2.49   0.080% *  0.8364% (0.76   0.02   0.02) =   0.001%
          HN    LEU   67 - HB    ILE   56  14.92 +/- 1.37   0.044% *  1.0848% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  20.28 +/- 1.97   0.006% *  0.9494% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  19.04 +/- 1.72   0.008% *  0.3733% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  23.16 +/- 1.78   0.002% *  0.6638% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.61 +/- 1.88   0.001% *  0.2437% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.67, residual support = 123.7:
      O T QD1   ILE   56 - HB    ILE   56   2.59 +/- 0.42  99.964% * 99.4902% (0.87  10.0 10.00   4.67 123.71) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.83 +/- 2.14   0.019% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.31 +/- 1.59   0.012% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  15.72 +/- 1.57   0.005% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.43 +/- 1.76   0.000% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.92, residual support = 123.7:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.993% * 98.2187% (0.87  10.0 10.00   3.92 123.71) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.57 +/- 1.50   0.004% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.08 +/- 0.92   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.65 +/- 1.05   0.002% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.69 +/- 1.78   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.84, residual support = 123.7:
        T QG2   ILE   56 - QD1   ILE   56   2.65 +/- 0.60  99.806% * 98.5057% (0.72 10.00   4.84 123.71) = 100.000%  kept
        T QB    ALA   34 - QD1   ILE   56  15.78 +/- 0.67   0.004% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56   9.80 +/- 1.42   0.080% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.74 +/- 1.47   0.101% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.33 +/- 1.89   0.004% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.12 +/- 0.73   0.005% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.78 +/- 1.01   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.769, support = 1.81, residual support = 3.07:
          QB    ALA  110 - QD1   ILE   56   5.05 +/- 2.92  25.684% * 71.6920% (0.85  1.00   2.15   3.85) =  78.466%  kept
          HB3   LEU  115 - QD1   ILE   56   3.47 +/- 1.44  61.538% *  5.2052% (0.21  1.00   0.63   0.34) =  13.650%  kept
          QB    ALA   61 - QD1   ILE   56   6.86 +/- 0.99  11.069% * 16.6411% (0.94  1.00   0.45   0.02) =   7.850%  kept
          QG    LYS+  66 - QD1   ILE   56   9.55 +/- 1.19   0.390% *  0.6460% (0.82  1.00   0.02   0.02) =   0.011%
        T HD3   LYS+ 121 - QD1   ILE   56  11.79 +/- 1.22   0.100% *  2.0706% (0.26 10.00   0.02   0.02) =   0.009%
          HB3   LYS+  74 - QD1   ILE   56  11.91 +/- 2.11   0.791% *  0.1857% (0.24  1.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QD1   ILE   56  12.64 +/- 1.13   0.086% *  0.7300% (0.93  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD1   ILE   56  14.09 +/- 1.43   0.091% *  0.5116% (0.65  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - QD1   ILE   56  15.68 +/- 1.70   0.058% *  0.6220% (0.79  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD1   ILE   56  16.70 +/- 2.17   0.037% *  0.6875% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   56  16.20 +/- 1.87   0.045% *  0.3062% (0.39  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  12.73 +/- 1.59   0.079% *  0.1149% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.87 +/- 0.87   0.026% *  0.1658% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.17 +/- 1.44   0.005% *  0.4216% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 4 structures by 0.43 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.92, residual support = 123.7:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.882% * 98.9931% (0.85  10.0 10.00   3.92 123.71) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   7.96 +/- 2.75   0.075% *  0.0341% (0.29   1.0  1.00   0.02   2.14) =   0.000%
          HB3   MET   92 - QD1   ILE   56   8.37 +/- 1.73   0.035% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.24 +/- 1.33   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.36 +/- 1.40   0.005% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.46 +/- 1.55   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.25 +/- 0.89   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.07 +/- 1.23   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.67, residual support = 123.7:
      O T HB    ILE   56 - QD1   ILE   56   2.59 +/- 0.42  99.301% * 98.1990% (0.72  10.0 10.00   4.67 123.71) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.49 +/- 0.55   0.511% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   9.36 +/- 1.51   0.112% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.28 +/- 1.07   0.059% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.71 +/- 1.30   0.002% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.91 +/- 1.88   0.007% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.88 +/- 2.17   0.006% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.58 +/- 0.73   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.17 +/- 1.01   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.25 +/- 1.76   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.55:
        T HA    LYS+ 112 - QD1   ILE   56   4.26 +/- 1.73  81.389% * 99.8482% (0.79 10.00   1.82   8.55) =  99.991%  kept
          HB    THR   46 - QD1   ILE   56   7.90 +/- 2.22  18.345% *  0.0406% (0.29  1.00   0.02   0.02) =   0.009%
          HB2   HIS  122 - QD1   ILE   56  11.79 +/- 1.13   0.248% *  0.0746% (0.54  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  19.40 +/- 2.52   0.017% *  0.0366% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 7 structures by 1.26 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.868, support = 3.04, residual support = 9.71:
          HA    ALA  110 - QD1   ILE   56   5.33 +/- 4.15  65.479% * 43.7467% (0.94   2.49   3.85) =  61.342%  kept
          HA    PHE   55 - QD1   ILE   56   5.11 +/- 0.99  32.453% * 55.6179% (0.76   3.92  19.02) =  38.653%  kept
          HA    VAL  107 - QD1   ILE   56   7.46 +/- 1.77   1.719% *  0.1330% (0.36   0.02   0.02) =   0.005%
          HA    ALA   91 - QD1   ILE   56  11.78 +/- 1.79   0.236% *  0.0884% (0.24   0.02   0.02) =   0.000%
          HA    GLN   90 - QD1   ILE   56  14.36 +/- 1.69   0.045% *  0.3352% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.24 +/- 0.67   0.067% *  0.0789% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 5 structures by 0.47 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.15 +/- 1.00 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 6.84 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.58, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.75 +/- 0.35  99.804% * 93.1763% (0.29   1.58  20.73) =  99.993%  kept
          HN    HIS  122 - QD1   ILE   56  11.05 +/- 0.94   0.183% *  3.3057% (0.82   0.02   0.02) =   0.007%
          HH2   TRP   87 - QD1   ILE   56  18.25 +/- 2.56   0.013% *  3.5180% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.38 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.6:
          HN    ALA   57 - QD1   ILE   56   3.51 +/- 0.81  98.914% * 98.3780% (0.42   4.64  33.59) =  99.996%  kept
          HE21  GLN  116 - QD1   ILE   56   8.68 +/- 1.26   1.070% *  0.3548% (0.36   0.02   0.02) =   0.004%
          HE21  GLN   90 - QD1   ILE   56  17.17 +/- 1.54   0.014% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  23.21 +/- 1.47   0.002% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.57, residual support = 118.3:
          HN    ILE   56 - QD1   ILE   56   3.40 +/- 0.91  86.455% * 70.4678% (0.24   5.79 123.71) =  95.451%  kept
          QE    PHE   60 - QD1   ILE   56   6.81 +/- 2.09  10.599% * 27.2980% (0.54   0.99   3.89) =   4.533%  kept
          HN    LEU   63 - QD1   ILE   56   7.14 +/- 0.84   2.931% *  0.3332% (0.32   0.02   0.02) =   0.015%
          HZ2   TRP   87 - QD1   ILE   56  17.24 +/- 2.42   0.010% *  0.9769% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  18.87 +/- 1.93   0.005% *  0.9241% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.73, residual support = 8.54:
          HN    LYS+ 112 - QD1   ILE   56   5.41 +/- 2.03  86.337% * 97.4184% (0.50   1.74   8.55) =  99.898%  kept
          HN    VAL   75 - QD1   ILE   56  10.78 +/- 1.76  11.363% *  0.4747% (0.21   0.02   0.02) =   0.064%
          HN    ASP-  78 - QD1   ILE   56  13.80 +/- 2.09   2.285% *  1.3794% (0.61   0.02   0.02) =   0.037%
          HN    MET   11 - QD1   ILE   56  27.91 +/- 1.92   0.015% *  0.7274% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 9 structures by 1.78 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.7:
        T HB3   PHE   59 - QG1   ILE   56   3.06 +/- 0.66  97.586% * 99.8494% (0.38 10.00   3.00  20.73) =  99.996%  kept
          HB2   PHE   95 - QG1   ILE   56   7.16 +/- 1.94   2.414% *  0.1506% (0.57  1.00   0.02   0.76) =   0.004%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.345, support = 2.51, residual support = 20.7:
        T HB2   PHE   59 - QG1   ILE   56   2.65 +/- 0.65  93.855% * 73.3060% (0.34 10.00   2.49  20.73) =  98.398%  kept
          QB    PHE   55 - QG1   ILE   56   4.94 +/- 0.71   4.296% * 25.9943% (0.61  1.00   3.99  19.02) =   1.597%  kept
          HD3   PRO   93 - QG1   ILE   56   7.55 +/- 2.08   0.956% *  0.1561% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QG1   ILE   56   6.69 +/- 0.83   0.752% *  0.1927% (0.90  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - QG1   ILE   56   9.48 +/- 1.46   0.137% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.91 +/- 1.10   0.005% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.23 +/- 0.89 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.86 A violated in 20 structures by 6.38 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   3.23 +/- 0.71  99.915% * 96.4509% (0.34   1.97  20.73) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.66 +/- 0.63   0.069% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  18.85 +/- 2.95   0.007% *  1.3943% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  17.74 +/- 2.18   0.009% *  0.9771% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 123.7:
      O   HN    ILE   56 - HA    ILE   56   2.90 +/- 0.04  99.253% * 98.8687% (0.25  10.0   5.04 123.71) =  99.998%  kept
          QE    PHE   60 - HA    ILE   56   8.59 +/- 1.61   0.594% *  0.2245% (0.57   1.0   0.02   3.89) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.91 +/- 0.95   0.152% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  22.13 +/- 2.90   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.99 +/- 2.19   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, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.4:
        T HD2   PRO   58 - QB    ALA   57   2.16 +/- 0.34  96.014% * 98.8080% (0.95 10.00   5.07  24.43) =  99.998%  kept
          HB2   CYS   53 - QB    ALA   57   5.31 +/- 1.66   3.985% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  18.67 +/- 1.30   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  23.03 +/- 2.02   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  23.33 +/- 1.30   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.54 +/- 0.51  99.957% * 98.4865% (0.18  10.0   4.87  24.31) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  14.01 +/- 1.52   0.009% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.15 +/- 0.63   0.009% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  12.17 +/- 1.29   0.021% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.97 +/- 1.01   0.002% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.13 +/- 0.71   0.004% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.13 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   2.65 +/- 0.21  99.986% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HN    ALA  120 - HA    ALA   57  14.42 +/- 0.66   0.005% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HA    ALA   57  13.82 +/- 1.34   0.006% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  16.08 +/- 1.57   0.002% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.23 +/- 1.13   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  99.752% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.17 +/- 1.62   0.128% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.15 +/- 2.27   0.107% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.45 +/- 1.23   0.010% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.36 +/- 2.49   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.97 +/- 0.89   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.64 +/- 1.21   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.71 +/- 1.26   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.39 +/- 0.93   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.37 +/- 1.28   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.18 +/- 1.17   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.40 +/- 2.14   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.244, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.37 +/- 0.80  93.688% *  5.7685% (0.15   0.02   0.02) =  81.824%  kept
          HN    LEU   80 - HB2   PRO   58  22.11 +/- 1.51   3.023% * 11.5391% (0.31   0.02   0.02) =   5.281%  kept
          HN    GLN   32 - HB2   PRO   58  27.14 +/- 1.45   0.914% * 37.3861% (1.00   0.02   0.02) =   5.172%  kept
          HN    SER   85 - HB2   PRO   58  26.56 +/- 1.17   0.996% * 29.9364% (0.80   0.02   0.02) =   4.512%  kept
          HN    ALA   34 - HB2   PRO   58  25.34 +/- 1.44   1.380% * 15.3699% (0.41   0.02   0.02) =   3.211%  kept
    Distance limit 3.87 A violated in 20 structures by 8.37 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.3, residual support = 40.4:
      O   HN    PHE   59 - HB3   PRO   58   4.04 +/- 0.20  95.314% * 99.6725% (0.61  10.0   6.30  40.41) =  99.997%  kept
          QD    PHE   60 - HB3   PRO   58   7.36 +/- 0.79   3.282% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HB3   PRO   58   8.91 +/- 0.51   0.886% *  0.1360% (0.83   1.0   0.02  40.41) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.05 +/- 0.69   0.446% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.23 +/- 1.51   0.071% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  26.67 +/- 3.29   0.001% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 146.8:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.984% * 99.7269% (0.95  10.0   5.39 146.85) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58  10.34 +/- 1.17   0.016% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  26.29 +/- 1.14   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.62 +/- 2.13   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  29.20 +/- 1.38   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 146.8:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.846% * 99.2991% (0.76  10.0   4.50 146.85) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  13.02 +/- 1.61   0.105% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.10 +/- 0.87   0.031% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.53 +/- 0.95   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  18.46 +/- 1.46   0.010% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.68 +/- 1.47   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.26 +/- 1.25   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.52 +/- 1.30   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.51, residual support = 24.4:
          HN    ALA   57 - HD2   PRO   58   2.48 +/- 0.69  99.962% * 98.5692% (0.54   5.51  24.43) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  12.27 +/- 1.57   0.027% *  0.4086% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.75 +/- 1.10   0.008% *  0.6095% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  17.84 +/- 2.02   0.002% *  0.1756% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.62 +/- 1.46   0.001% *  0.2371% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 146.8:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.534% * 99.2639% (0.72  10.0   6.52 146.85) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.55 +/- 1.51   0.483% *  0.1254% (0.91   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  14.51 +/- 0.72   0.043% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.18 +/- 1.40   0.929% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68   9.82 +/- 1.23   0.624% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  16.22 +/- 1.48   0.025% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.71 +/- 0.89   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  12.62 +/- 1.38   0.122% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.79 +/- 1.46   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  13.00 +/- 1.40   0.113% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.11 +/- 1.65   0.043% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.50 +/- 0.82   0.044% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.72 +/- 1.23   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.67 +/- 1.56   0.022% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.98 +/- 1.27   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  21.09 +/- 1.35   0.005% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.88, residual support = 24.4:
          HN    ALA   57 - HD3   PRO   58   2.18 +/- 0.28  99.902% * 97.8680% (0.54   3.88  24.43) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58  11.03 +/- 1.39   0.011% *  0.5769% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.27 +/- 1.03   0.005% *  0.8607% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  10.24 +/- 4.36   0.074% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.54 +/- 1.28   0.001% *  0.3347% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.93 +/- 1.82   0.000% *  0.2480% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.37 +/- 1.97   0.003% *  0.0381% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.76 +/- 1.49   0.003% *  0.0110% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.97 +/- 3.17   0.001% *  0.0255% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.71 +/- 0.97   0.000% *  0.0224% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.4:
          QB    ALA   57 - HD3   PRO   58   3.27 +/- 0.26  98.721% * 96.7335% (0.87   3.30  24.43) =  99.998%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.40 +/- 1.61   0.134% *  0.6298% (0.94   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   PRO   58  10.90 +/- 1.05   0.092% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.76 +/- 2.26   0.038% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.65 +/- 3.92   0.454% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.70 +/- 1.31   0.426% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.58 +/- 1.37   0.016% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.67 +/- 1.21   0.010% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.97 +/- 2.04   0.063% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.61 +/- 1.05   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.53 +/- 1.23   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.40 +/- 0.58   0.010% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.55 +/- 1.31   0.008% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.95 +/- 1.51   0.011% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.67 +/- 1.84   0.013% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.24 +/- 1.14   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.57 +/- 2.58   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  26.49 +/- 2.96   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.4:
        T QB    ALA   57 - HD2   PRO   58   2.16 +/- 0.34  99.967% * 97.4262% (0.87 10.00   5.07  24.43) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.61 +/- 1.72   0.017% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  10.81 +/- 1.12   0.010% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  14.93 +/- 2.45   0.003% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.99 +/- 1.26   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.16 +/- 1.35   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  16.87 +/- 1.29   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.26 +/- 1.11   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.02 +/- 1.26   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 = 146.8:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.989% * 99.6708% (0.89  10.0 10.00   7.73 146.85) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.44 +/- 0.92   0.010% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.80 +/- 0.71   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.85 +/- 1.02   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.62 +/- 2.12   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.35 +/- 2.26   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.36 +/- 1.38   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  16.62 +/- 1.46   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.69 +/- 1.55   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  28.57 +/- 3.30   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.8:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.993% * 99.5891% (0.95  10.0 10.00   7.73 146.85) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.74 +/- 0.40   0.007% *  0.0446% (0.42   1.0  1.00   0.02   0.75) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.80 +/- 0.71   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.53 +/- 1.53   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 = 40.4:
          HN    PHE   59 - HD2   PRO   58   3.71 +/- 0.04  99.115% * 99.0700% (0.69   6.65  40.41) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.76 +/- 0.78   0.862% *  0.1399% (0.32   0.02  40.41) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.48 +/- 1.26   0.022% *  0.4020% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  24.75 +/- 2.99   0.001% *  0.3880% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.7:
        T QG1   ILE   56 - HB3   PHE   59   3.06 +/- 0.66  99.993% * 99.6917% (0.53 10.00   3.00  20.73) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  19.19 +/- 1.65   0.003% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.93 +/- 1.96   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.463, support = 0.686, residual support = 5.96:
          HB3   ASP-  62 - HB3   PHE   59   5.22 +/- 0.85  41.223% * 68.5452% (0.45   0.75   6.52) =  89.705%  kept
          HB    VAL  107 - HB3   PHE   59   7.67 +/- 1.77   9.330% * 17.4543% (0.38   0.23   2.18) =   5.170%  kept
          QE    LYS+ 112 - HB3   PHE   59   5.49 +/- 2.07  49.335% *  3.2647% (0.80   0.02   0.02) =   5.113%  kept
          HB3   PHE   45 - HB3   PHE   59  13.44 +/- 1.56   0.108% *  3.2647% (0.80   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HB3   PHE   59  24.11 +/- 1.67   0.003% *  3.5366% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.01 +/- 1.78   0.001% *  3.9346% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.7:
        T QG1   ILE   56 - HB2   PHE   59   2.65 +/- 0.65  99.962% * 99.0024% (0.18 10.00   2.49  20.73) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.99 +/- 1.97   0.030% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  19.03 +/- 1.86   0.002% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.79 +/- 2.29   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.15 +/- 1.86   0.002% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  20.52 +/- 2.21   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.8:
      O   HN    PHE   59 - HB3   PHE   59   2.32 +/- 0.38  99.969% * 99.4232% (0.31  10.0   4.98  58.77) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.50 +/- 1.27   0.031% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  22.55 +/- 3.70   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.8:
      O   HN    PHE   59 - HB2   PHE   59   2.48 +/- 0.33  96.449% * 99.7763% (1.00  10.0   4.37  58.77) =  99.997%  kept
          QE    PHE   59 - HB2   PHE   59   4.48 +/- 0.04   3.496% *  0.0799% (0.80   1.0   0.02  58.77) =   0.003%
          HN    HIS  122 - HB2   PHE   59  10.74 +/- 0.85   0.019% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.68 +/- 0.53   0.035% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  22.38 +/- 3.63   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.52:
          HB2   ASP-  62 - HA    PHE   59   3.27 +/- 0.33  99.892% * 97.0773% (0.99  1.00   1.50   6.52) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.35 +/- 0.96   0.081% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  13.39 +/- 1.35   0.027% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.52:
          HB3   ASP-  62 - HA    PHE   59   2.71 +/- 0.86  97.696% * 85.4423% (0.18  1.00   2.96   6.52) =  99.969%  kept
          HG3   GLN  116 - HA    PHE   59   8.14 +/- 1.74   2.295% *  1.1256% (0.34  1.00   0.02   0.47) =   0.031%
          HG3   MET   96 - HA    PHE   59  15.90 +/- 1.66   0.007% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  21.99 +/- 2.62   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  28.01 +/- 2.61   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 58.8:
      O   HN    PHE   59 - HA    PHE   59   2.77 +/- 0.03  94.734% * 99.7763% (1.00  10.0   4.98  58.77) =  99.996%  kept
          QE    PHE   59 - HA    PHE   59   4.69 +/- 0.48   4.881% *  0.0799% (0.80   1.0   0.02  58.77) =   0.004%
          HN    LYS+  66 - HA    PHE   59   7.33 +/- 0.57   0.309% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.69 +/- 1.44   0.075% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  23.65 +/- 3.87   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 19.3:
          HN    PHE   60 - HB3   PHE   59   3.48 +/- 0.49  94.553% * 98.7565% (0.61   4.01  19.26) =  99.990%  kept
          HN    GLN  116 - HB3   PHE   59   6.42 +/- 0.60   4.355% *  0.1423% (0.18   0.02   0.47) =   0.007%
          HN    THR  118 - HB3   PHE   59   8.13 +/- 0.82   1.088% *  0.3049% (0.38   0.02  10.81) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  19.93 +/- 0.75   0.003% *  0.7963% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.91, residual support = 71.5:
          QD    PHE   60 - HA    PHE   60   2.68 +/- 0.49  90.379% * 91.3325% (1.00   3.94  72.02) =  99.104%  kept
          QE    PHE   59 - HA    PHE   60   5.06 +/- 1.16   9.370% *  7.9574% (0.25   1.37  19.26) =   0.895%  kept
          HN    LYS+  66 - HA    PHE   60   7.68 +/- 0.41   0.250% *  0.3377% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.19 +/- 0.79   0.001% *  0.3724% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 72.0:
      O   HN    PHE   60 - HA    PHE   60   2.82 +/- 0.05  99.887% * 99.7483% (0.61  10.0   4.94  72.02) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.47 +/- 0.95   0.046% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.16 +/- 1.11   0.063% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.76 +/- 1.03   0.004% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 40.7:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.03  99.954% * 99.5823% (0.84  10.0   4.87  40.67) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  16.87 +/- 1.93   0.013% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.22 +/- 1.50   0.011% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  17.98 +/- 2.80   0.009% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  20.21 +/- 3.73   0.005% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.80 +/- 1.42   0.006% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.18 +/- 1.43   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.747, residual support = 0.744:
          HA    ALA   57 - HB2   PHE   60   3.22 +/- 0.55  97.874% * 42.7977% (0.15   0.75   0.75) =  99.631%  kept
          HA    ASP-  44 - HB2   PHE   60   7.98 +/- 1.29   2.061% *  7.3803% (1.00   0.02   0.62) =   0.362%
          HB    THR   77 - HB2   PHE   60  14.80 +/- 1.09   0.017% *  7.2502% (0.98   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   PHE   60  13.70 +/- 1.16   0.021% *  2.7761% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   PHE   60  18.06 +/- 1.91   0.008% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  17.97 +/- 1.26   0.005% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  19.71 +/- 1.57   0.004% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  18.24 +/- 1.26   0.005% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  22.05 +/- 1.19   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  23.17 +/- 1.68   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  23.86 +/- 1.88   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  27.19 +/- 1.89   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.04 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 = 72.0:
      O   QD    PHE   60 - HB2   PHE   60   2.42 +/- 0.13  99.911% * 99.7759% (0.76  10.0   3.76  72.02) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   9.32 +/- 1.20   0.056% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.40 +/- 0.32   0.031% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.63 +/- 1.59   0.003% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.19 +/- 0.93   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.82, residual support = 40.7:
          HN    ALA   61 - HB2   PHE   60   2.66 +/- 0.45  99.988% * 95.6750% (0.38   4.82  40.67) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  17.83 +/- 2.55   0.003% *  0.9482% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.51 +/- 1.61   0.002% *  0.8466% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.98 +/- 1.66   0.004% *  0.4740% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.96 +/- 1.57   0.001% *  0.9760% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  21.28 +/- 2.27   0.001% *  0.3607% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  24.00 +/- 1.60   0.000% *  0.5563% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  20.60 +/- 3.39   0.001% *  0.1631% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 72.0:
      O   HN    PHE   60 - HB2   PHE   60   2.07 +/- 0.15  99.991% * 99.7483% (0.61  10.0   4.80  72.02) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.09 +/- 1.07   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  10.98 +/- 1.09   0.006% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  16.73 +/- 0.89   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 11.8:
        T QD1   LEU   63 - HA    PHE   60   2.81 +/- 0.53  92.795% * 98.2281% (1.00 10.00   3.33  11.84) =  99.994%  kept
          QD2   LEU   63 - HA    PHE   60   4.93 +/- 0.43   5.332% *  0.0556% (0.57  1.00   0.02  11.84) =   0.003%
          QD2   LEU  115 - HA    PHE   60   6.38 +/- 1.04   1.786% *  0.0820% (0.84  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HA    PHE   60  10.77 +/- 0.78   0.049% *  0.9823% (1.00 10.00   0.02   2.05) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  12.73 +/- 1.65   0.025% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.01 +/- 1.30   0.010% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.26 +/- 1.64   0.004% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 11.8:
        T HB2   LEU   63 - HA    PHE   60   2.83 +/- 0.36  95.589% * 98.8172% (0.92 10.00   1.50  11.84) =  99.994%  kept
          HB3   ASP-  44 - HA    PHE   60   5.60 +/- 1.15   3.810% *  0.1399% (0.98  1.00   0.02   0.62) =   0.006%
          HB3   PRO   93 - HA    PHE   60   8.41 +/- 2.12   0.486% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    PHE   60  14.59 +/- 2.36   0.015% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.34 +/- 2.28   0.009% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.64 +/- 1.55   0.007% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.11 +/- 0.95   0.039% *  0.0220% (0.15  1.00   0.02   2.05) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.30 +/- 1.38   0.024% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  15.82 +/- 1.03   0.004% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.40 +/- 0.73   0.011% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  18.16 +/- 1.44   0.002% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.05 +/- 1.51   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.98 +/- 1.78   0.002% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.40 +/- 1.70   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.57 +/- 1.49   0.000% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 0.983, residual support = 3.4:
        T QG2   VAL   18 - HA    ALA   61   2.90 +/- 0.80  98.228% * 87.5400% (0.34 10.00   0.98   3.40) =  99.936%  kept
          QD1   ILE   56 - HA    ALA   61   8.47 +/- 1.24   0.743% *  7.0894% (0.61  1.00   0.45   0.02) =   0.061%
          QD2   LEU   73 - HA    ALA   61   8.88 +/- 0.89   0.223% *  0.4527% (0.87  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    ALA   61   8.60 +/- 1.38   0.733% *  0.1301% (0.25  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - HA    ALA   61  14.03 +/- 1.07   0.017% *  3.9886% (0.76 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ALA   61  11.61 +/- 0.67   0.052% *  0.2955% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    ALA   61  17.87 +/- 1.29   0.003% *  0.5037% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 3 structures by 0.33 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.6, residual support = 7.52:
        T QB    ALA   64 - HA    ALA   61   3.02 +/- 0.45  99.658% * 98.7496% (0.34 10.00   2.60   7.52) =  99.999%  kept
          QD1   LEU  115 - HA    ALA   61   9.32 +/- 1.18   0.308% *  0.1639% (0.57  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   75 - HA    ALA   61  11.99 +/- 0.67   0.034% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.52:
          HN    ALA   64 - HA    ALA   61   3.45 +/- 0.16 100.000% *100.0000% (0.84   0.75   7.52) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.77, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.84 +/- 0.04  99.993% * 98.9218% (0.38  10.0   2.77  18.02) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  17.05 +/- 1.18   0.002% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.82 +/- 1.08   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  20.39 +/- 2.94   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.64 +/- 1.66   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.03 +/- 1.21   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.19 +/- 1.54   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  23.06 +/- 3.81   0.000% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 72.0:
      O   QD    PHE   60 - HB3   PHE   60   2.58 +/- 0.19  92.272% * 99.6845% (0.73  10.0   3.84  72.02) =  99.993%  kept
          QE    PHE   59 - HB3   PHE   60   6.16 +/- 1.88   6.325% *  0.0888% (0.65   1.0   0.02  19.26) =   0.006%
          HN    PHE   59 - HB3   PHE   60   5.51 +/- 0.44   1.359% *  0.0382% (0.28   1.0   0.02  19.26) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.46 +/- 0.48   0.044% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.67 +/- 0.82   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 72.0:
      O   HN    PHE   60 - HB3   PHE   60   2.90 +/- 0.34  99.995% * 99.5797% (0.20  10.0   4.94  72.02) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.37 +/- 1.31   0.005% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.05 +/- 2.50  36.725% * 23.9067% (0.95   0.02   0.02) =  48.862%  kept
          HN    TRP   27 - HB3   PHE   60  16.63 +/- 1.70  35.602% *  8.6206% (0.34   0.02   0.02) =  17.081%  kept
          HN    THR   39 - HB3   PHE   60  20.00 +/- 1.79  11.176% * 23.3294% (0.92   0.02   0.02) =  14.511%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.27 +/- 2.52  11.765% * 20.2366% (0.80   0.02   0.02) =  13.250%  kept
          HN    GLU-  36 - HB3   PHE   60  22.99 +/- 1.79   4.732% * 23.9067% (0.95   0.02   0.02) =   6.296%  kept
    Distance limit 3.57 A violated in 20 structures by 10.21 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   2.19 +/- 0.24  99.991% * 58.7579% (0.33  1.00   2.31   5.56) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  13.19 +/- 1.96   0.003% * 13.7636% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA   84  14.75 +/- 1.91   0.003% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  20.07 +/- 2.08   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  17.97 +/- 1.55   0.000% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  14.23 +/- 1.38   0.002% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  28.19 +/- 2.05   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  20.03 +/- 3.28   0.000% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  19.99 +/- 1.98   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  23.94 +/- 2.26   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.184, support = 2.2, residual support = 19.3:
          HA    SER   85 - QB    ALA   84   3.81 +/- 0.05  30.836% * 37.5710% (0.15  1.00   2.33  20.73) =  93.042%  kept
          HA    ASP-  86 - QB    ALA   84   6.49 +/- 0.11   1.256% * 51.2305% (0.84  1.00   0.57   0.02) =   5.167%  kept
          HB    THR   77 - QB    ALA   84   3.52 +/- 1.35  67.029% *  0.3225% (0.15  1.00   0.02   0.02) =   1.736%  kept
          HA    TRP   87 - QB    ALA   84   6.92 +/- 0.22   0.827% *  0.5812% (0.27  1.00   0.02   0.02) =   0.039%
        T HA    ASP-  44 - QB    ALA   84  11.16 +/- 1.50   0.049% *  4.1366% (0.19 10.00   0.02   0.02) =   0.016%
          HA    LEU  104 - QB    ALA   84  20.41 +/- 2.55   0.002% *  2.0173% (0.93  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  23.38 +/- 2.08   0.001% *  1.9296% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  27.11 +/- 3.40   0.000% *  1.7459% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  29.03 +/- 3.98   0.000% *  0.4654% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.2, residual support = 17.9:
      O   HN    ALA   84 - QB    ALA   84   2.07 +/- 0.05  99.939% * 98.8488% (0.30  10.0   4.20  17.90) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.70 +/- 0.91   0.048% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  10.73 +/- 2.05   0.008% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.04 +/- 1.52   0.003% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.22 +/- 1.38   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  18.60 +/- 0.96   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.63 +/- 1.64   0.000% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.68 +/- 0.16  97.943% * 98.8043% (0.77   3.87  20.73) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.21 +/- 0.32   2.036% *  0.1969% (0.30   0.02   0.02) =   0.004%
          HN    CYS   53 - QB    ALA   84  12.14 +/- 1.31   0.018% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  16.84 +/- 2.12   0.002% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  18.63 +/- 2.14   0.001% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 0.02, residual support = 24.3:
          HN    LEU  123 - QB    ALA  120   3.81 +/- 0.13  95.431% * 42.6516% (0.94   0.02  25.05) =  97.153%  kept
          HN    ALA  124 - QB    ALA  120   6.34 +/- 0.26   4.562% * 26.1005% (0.57   0.02   0.02) =   2.842%  kept
          HE21  GLN   17 - QB    ALA  120  19.55 +/- 2.13   0.007% * 31.2479% (0.69   0.02   0.02) =   0.005%
    Distance limit 2.75 A violated in 18 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.22, residual support = 5.76:
        T HA    SER  117 - QB    ALA  120   3.21 +/- 0.34  99.954% * 99.1094% (0.54 10.00   2.22   5.76) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.96 +/- 0.59   0.017% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  17.55 +/- 3.02   0.007% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.79 +/- 2.60   0.019% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  19.80 +/- 1.97   0.002% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.60 +/- 1.66   0.001% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.46 +/- 1.38   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.03, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.09 +/- 0.08  99.962% * 99.3531% (0.97  10.0   4.03  18.02) = 100.000%  kept
          HN    ALA   61 - QB    ALA  110  11.26 +/- 2.91   0.026% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA  110  11.24 +/- 1.99   0.008% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  15.48 +/- 1.26   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.65 +/- 1.48   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.74 +/- 2.35   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.44 +/- 1.96   0.001% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.91 +/- 2.26   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  20.30 +/- 2.92   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.62 +/- 0.87   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.84 +/- 2.30   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.81 +/- 1.85   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.64 +/- 0.22  99.763% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.58 +/- 2.02   0.109% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.29 +/- 0.90   0.036% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.70 +/- 0.96   0.051% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.42 +/- 2.92   0.013% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.38 +/- 2.18   0.027% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  17.85 +/- 1.31   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.33 +/- 2.48   0.001% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 2.79, residual support = 8.34:
          HN    ASP-  62 - QB    ALA   61   2.69 +/- 0.17  94.545% * 96.2308% (1.00   2.79   8.34) =  99.983%  kept
          HN    PHE   55 - QB    ALA  110   6.91 +/- 3.28   4.184% *  0.2295% (0.33   0.02   0.13) =   0.011%
          HN    ARG+  54 - QB    ALA  110   7.89 +/- 3.19   1.078% *  0.4440% (0.64   0.02   0.02) =   0.005%
          HN    ASP-  62 - QB    ALA  110  11.87 +/- 2.63   0.119% *  0.5108% (0.74   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   61  10.52 +/- 0.90   0.033% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61  10.22 +/- 0.88   0.038% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.65 +/- 1.09   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.83 +/- 1.78   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.66 +/- 0.91   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.50 +/- 1.74   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.06 +/- 1.97  36.452% * 28.1529% (1.00   0.02   0.02) =  44.368%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.13 +/- 1.23  45.707% * 21.5631% (0.76   0.02   0.02) =  42.610%  kept
          HA    ALA   12 - HB2   ASP-  62  23.54 +/- 1.72  10.019% * 18.2527% (0.65   0.02   0.02) =   7.906%  kept
          HA    TRP   87 - HB2   ASP-  62  26.76 +/- 2.32   4.940% * 12.6499% (0.45   0.02   0.02) =   2.702%  kept
          HA    ASP-  86 - HB2   ASP-  62  28.92 +/- 1.52   2.882% * 19.3814% (0.69   0.02   0.02) =   2.415%  kept
    Distance limit 3.41 A violated in 20 structures by 12.40 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.77 +/- 2.04  38.467% * 10.2586% (0.98  1.00   0.02   0.02) =  37.857%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.16 +/- 1.20  43.770% *  7.8573% (0.75  1.00   0.02   0.02) =  32.993%  kept
        T HA    ASP-  86 - HB3   ASP-  62  28.40 +/- 1.90   3.074% * 70.6236% (0.67 10.00   0.02   0.02) =  20.824%  kept
          HA    ALA   12 - HB3   ASP-  62  23.61 +/- 1.66   9.344% *  6.6511% (0.63  1.00   0.02   0.02) =   5.962%  kept
          HA    TRP   87 - HB3   ASP-  62  26.25 +/- 2.74   5.345% *  4.6095% (0.44  1.00   0.02   0.02) =   2.363%  kept
    Distance limit 3.15 A violated in 20 structures by 12.55 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.99, residual support = 3.69:
          HN    LYS+  65 - HA    ASP-  62   3.30 +/- 0.20 100.000% *100.0000% (0.15   0.99   3.69) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.76 +/- 0.04  99.991% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.47 +/- 0.76   0.003% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.47 +/- 0.75   0.005% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.44 +/- 0.86   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  23.12 +/- 0.78   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.29 +/- 0.62  99.832% * 98.7145% (0.97   5.25  42.50) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.73 +/- 0.60   0.115% *  0.3496% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  13.95 +/- 2.32   0.050% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.15 +/- 1.44   0.001% *  0.2678% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  24.25 +/- 3.50   0.001% *  0.1897% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  25.02 +/- 1.00   0.001% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.76 +/- 1.13   0.000% *  0.0683% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.75 +/- 0.54  99.991% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.24 +/- 0.69   0.008% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.42 +/- 0.95   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  24.21 +/- 0.85   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.13 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   2.98 +/- 0.40  99.891% * 98.7145% (0.95   5.25  42.50) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.31 +/- 0.76   0.086% *  0.3496% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.56 +/- 2.64   0.022% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.66 +/- 1.40   0.001% *  0.2678% (0.67   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  23.76 +/- 3.91   0.001% *  0.1897% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  24.49 +/- 1.06   0.000% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.39 +/- 1.22   0.000% *  0.0683% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 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   2.50 +/- 0.34  99.988% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.82 +/- 0.91   0.004% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.54 +/- 0.89   0.007% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.02 +/- 1.01   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.99 +/- 1.03   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.989, support = 2.35, residual support = 6.06:
          QB    LYS+  66 - HA    LEU   63   2.83 +/- 0.51  96.338% * 52.3584% (1.00   2.31   6.19) =  97.483%  kept
          QB    LYS+  65 - HA    LEU   63   5.40 +/- 0.37   2.866% * 45.3686% (0.57   3.54   1.21) =   2.513%  kept
          HG    LEU  123 - HA    LEU   63   9.46 +/- 2.21   0.734% *  0.2562% (0.57   0.02   0.02) =   0.004%
          HB2   LEU   71 - HA    LEU   63  12.09 +/- 0.75   0.030% *  0.2381% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.65 +/- 1.99   0.011% *  0.4058% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.89 +/- 1.23   0.010% *  0.4280% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  17.35 +/- 2.18   0.005% *  0.3779% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.17 +/- 2.00   0.004% *  0.3108% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  16.97 +/- 2.21   0.004% *  0.2562% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 1.57, residual support = 6.23:
          HN    LYS+  66 - HA    LEU   63   3.53 +/- 0.40  84.443% * 49.5174% (0.53   1.61   6.19) =  95.905%  kept
          QD    PHE   60 - HA    LEU   63   6.93 +/- 0.70   2.444% * 43.9555% (0.97   0.78  11.84) =   2.464%  kept
          QE    PHE   59 - HA    LEU   63   5.49 +/- 1.17  13.112% *  5.4213% (0.14   0.69   0.63) =   1.630%  kept
          HN    LYS+  81 - HA    LEU   63  24.91 +/- 0.93   0.001% *  1.1059% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.4:
      O   HN    LEU   63 - HA    LEU   63   2.77 +/- 0.03  99.975% * 99.6457% (1.00  10.0   7.54 242.39) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  12.94 +/- 0.74   0.010% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.33 +/- 2.49   0.014% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.66 +/- 1.73   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  24.04 +/- 1.69   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  22.26 +/- 4.30   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  26.42 +/- 1.21   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.8:
        T HA    PHE   60 - HB2   LEU   63   2.83 +/- 0.36  99.496% * 98.4768% (0.49 10.00   1.50  11.84) =  99.999%  kept
          HA    LYS+  65 - HB2   LEU   63   7.70 +/- 0.17   0.304% *  0.0472% (0.18  1.00   0.02   1.21) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.56 +/- 1.71   0.091% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.21 +/- 0.89   0.037% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.30 +/- 0.91   0.020% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.71 +/- 1.94   0.021% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.61 +/- 0.58   0.026% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.04 +/- 1.40   0.003% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.61 +/- 1.12   0.002% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  23.01 +/- 1.46   0.000% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.23, residual support = 54.6:
          HN    ALA   64 - HB2   LEU   63   2.92 +/- 0.17 100.000% *100.0000% (0.57   7.23  54.61) = 100.000%  kept
    Distance limit 3.68 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 = 2.66, residual support = 18.6:
          QE    PHE   72 - HB2   LEU   63   3.42 +/- 1.11  99.847% * 99.3524% (0.99   2.66  18.64) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  13.91 +/- 1.14   0.142% *  0.3378% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  19.11 +/- 1.62   0.011% *  0.3098% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.92, residual support = 242.4:
      O   HN    LEU   63 - HB2   LEU   63   2.11 +/- 0.10  99.986% * 99.6457% (1.00  10.0   7.92 242.39) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.00 +/- 0.89   0.006% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.97 +/- 2.79   0.008% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  19.60 +/- 1.78   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  21.40 +/- 1.62   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  19.96 +/- 4.09   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.28 +/- 1.24   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.46 +/- 0.12  99.715% * 98.5494% (0.76   4.54  42.50) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.36 +/- 0.92   0.149% *  0.5093% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.19 +/- 0.99   0.103% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.81 +/- 1.30   0.028% *  0.4743% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  23.22 +/- 2.21   0.006% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.77, residual support = 54.6:
          HN    ALA   64 - HB3   LEU   63   3.33 +/- 0.41 100.000% *100.0000% (0.57   6.77  54.61) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.1, residual support = 18.6:
        T HZ    PHE   72 - HB3   LEU   63   3.22 +/- 1.31  99.954% * 99.9822% (0.87 10.00   3.10  18.64) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.41 +/- 1.62   0.046% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.57, residual support = 242.4:
      O   HN    LEU   63 - HB3   LEU   63   3.37 +/- 0.13  99.848% * 99.6457% (1.00  10.0   7.57 242.39) = 100.000%  kept
          HN    LYS+ 111 - HB3   LEU   63  13.69 +/- 2.65   0.099% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   LEU   63  12.50 +/- 1.04   0.044% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.39 +/- 2.04   0.003% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  19.99 +/- 4.41   0.004% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  21.88 +/- 2.01   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.52 +/- 1.54   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.53, residual support = 242.4:
          HN    LEU   63 - HG    LEU   63   3.19 +/- 0.38  98.654% * 98.9377% (0.76   7.53 242.39) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   8.00 +/- 1.08   1.172% *  0.0681% (0.20   0.02  11.84) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.38 +/- 1.15   0.052% *  0.2225% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.34 +/- 2.65   0.117% *  0.0956% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  21.04 +/- 4.30   0.003% *  0.2629% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  21.06 +/- 2.37   0.002% *  0.3175% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  22.75 +/- 2.16   0.001% *  0.0956% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.33, residual support = 11.8:
        T HA    PHE   60 - QD1   LEU   63   2.81 +/- 0.53  96.507% * 86.4872% (0.14 10.00   3.33  11.84) =  99.951%  kept
          HA    ALA  120 - QD1   LEU   63   8.30 +/- 1.94   1.206% *  2.7610% (0.95  1.00   0.09   0.02) =   0.040%
          QB    SER  117 - QD1   LEU   63   7.93 +/- 1.16   0.548% *  0.3876% (0.61  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD1   LEU  104   9.14 +/- 3.83   0.783% *  0.1444% (0.23  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU   63   9.34 +/- 1.35   0.156% *  0.5899% (0.92  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.28 +/- 2.14   0.136% *  0.6167% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.46 +/- 0.36   0.186% *  0.3618% (0.57  1.00   0.02   1.21) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  10.77 +/- 0.78   0.053% *  0.8649% (0.14 10.00   0.02   2.05) =   0.001%
          HB    THR   94 - QD1   LEU   73  10.88 +/- 1.00   0.046% *  0.6167% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.07 +/- 1.38   0.056% *  0.4134% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.51 +/- 0.63   0.034% *  0.4134% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.84 +/- 3.69   0.091% *  0.1480% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.72 +/- 0.80   0.021% *  0.3618% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.21 +/- 0.99   0.010% *  0.6376% (1.00  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.73 +/- 1.65   0.026% *  0.2117% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.10 +/- 1.39   0.008% *  0.6376% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  11.22 +/- 1.55   0.050% *  0.0949% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  14.20 +/- 2.07   0.011% *  0.4134% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.32 +/- 1.28   0.007% *  0.5543% (0.87  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.23 +/- 1.68   0.018% *  0.1510% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.93 +/- 2.33   0.004% *  0.6045% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.50 +/- 1.91   0.003% *  0.5899% (0.92  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.18 +/- 2.13   0.016% *  0.1012% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.60 +/- 1.00   0.004% *  0.3876% (0.61  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.63 +/- 1.99   0.014% *  0.0886% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.26 +/- 0.92   0.001% *  0.5543% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  18.53 +/- 1.73   0.002% *  0.4134% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  20.54 +/- 1.52   0.001% *  0.1561% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  20.55 +/- 3.26   0.001% *  0.1012% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.11 +/- 1.88   0.000% *  0.1357% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 2.32, residual support = 20.1:
        T HZ3   TRP   27 - QD1   LEU   73   2.68 +/- 1.12  96.894% * 98.4449% (0.49 10.00   2.32  20.11) =  99.993%  kept
          HZ    PHE   45 - QD1   LEU   73   7.11 +/- 1.01   1.984% *  0.1469% (0.73  1.00   0.02   0.02) =   0.003%
        T HZ3   TRP   27 - QD1   LEU   63  11.06 +/- 1.74   0.237% *  0.9844% (0.49 10.00   0.02   0.02) =   0.002%
        T HZ3   TRP   27 - QD1   LEU  104  11.53 +/- 1.92   0.305% *  0.2410% (0.12 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU   63  11.34 +/- 1.81   0.228% *  0.1469% (0.73  1.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.75 +/- 1.98   0.353% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.685, support = 1.13, residual support = 6.32:
          QD    PHE   60 - QD1   LEU   63   4.32 +/- 0.99  17.758% * 47.5616% (0.87   1.61  11.84) =  49.802%  kept
          QE    PHE   59 - QD1   LEU   63   2.90 +/- 1.37  79.197% * 10.3273% (0.49   0.62   0.63) =  48.227%  kept
          HN    LYS+  66 - QD1   LEU   63   6.37 +/- 0.26   0.846% * 39.0950% (0.95   1.22   6.19) =   1.949%  kept
          HN    PHE   59 - QD1   LEU   63   5.54 +/- 0.61   1.828% *  0.1190% (0.18   0.02   0.63) =   0.013%
          QD    PHE   60 - QD1   LEU   73   8.79 +/- 0.90   0.208% *  0.5896% (0.87   0.02   2.05) =   0.007%
          QE    PHE   59 - QD1   LEU   73  11.75 +/- 1.67   0.030% *  0.3309% (0.49   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD1   LEU   73  12.95 +/- 0.55   0.012% *  0.6430% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.12 +/- 2.29   0.064% *  0.0810% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.93 +/- 1.14   0.011% *  0.3576% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.33 +/- 1.54   0.021% *  0.1443% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.91 +/- 2.07   0.016% *  0.1574% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.83 +/- 0.91   0.006% *  0.1190% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.33 +/- 1.56   0.001% *  0.3576% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.73 +/- 2.02   0.003% *  0.0291% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  22.48 +/- 2.46   0.000% *  0.0875% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.761, support = 6.37, residual support = 235.7:
          HN    LEU   63 - QD1   LEU   63   3.56 +/- 0.32  79.975% * 70.9570% (0.76   6.50 242.39) =  97.183%  kept
          HD21  ASN   28 - QD1   LEU   73   6.50 +/- 1.15   4.862% * 21.6186% (0.92   1.64   0.85) =   1.800%  kept
          QE    PHE   60 - QD1   LEU   63   5.77 +/- 1.18  10.730% *  5.4932% (0.20   1.94  11.84) =   1.009%  kept
          HZ2   TRP   87 - QD1   LEU   73  10.06 +/- 4.26   0.730% *  0.2182% (0.76   0.02   0.02) =   0.003%
          HN    LYS+ 111 - QD1   LEU   63   9.33 +/- 2.26   1.493% *  0.0794% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   73   7.83 +/- 1.22   1.317% *  0.0565% (0.20   0.02   2.05) =   0.001%
          HN    ILE   56 - QD1   LEU   63   8.79 +/- 0.94   0.398% *  0.1847% (0.65   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   73  12.23 +/- 0.46   0.053% *  0.2182% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  16.44 +/- 5.58   0.154% *  0.0534% (0.19   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  15.83 +/- 3.64   0.023% *  0.2182% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  12.33 +/- 2.00   0.062% *  0.0794% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.04 +/- 2.19   0.015% *  0.2636% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.89 +/- 1.91   0.057% *  0.0534% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.28 +/- 1.08   0.010% *  0.1847% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  16.01 +/- 2.32   0.028% *  0.0645% (0.23   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.66 +/- 1.55   0.054% *  0.0138% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  17.27 +/- 1.93   0.008% *  0.0794% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.58 +/- 1.67   0.007% *  0.0794% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.72 +/- 1.78   0.013% *  0.0194% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.38 +/- 1.69   0.005% *  0.0452% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  20.37 +/- 3.30   0.005% *  0.0194% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.84 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.781, support = 3.04, residual support = 39.5:
        T QD    PHE   72 - HA    ALA   64   2.91 +/- 0.56  61.904% * 60.4788% (0.87 10.00   3.14  39.53) =  71.348%  kept
        T HZ    PHE   72 - HA    ALA   64   3.48 +/- 0.82  38.088% * 39.4733% (0.57 10.00   2.80  39.53) =  28.652%  kept
          QE    PHE   45 - HA    ALA   64  13.27 +/- 0.74   0.007% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 0.977, residual support = 3.59:
          HN    LEU   67 - HA    ALA   64   3.19 +/- 0.28  99.189% * 78.2201% (0.87   0.98   3.59) =  99.840%  kept
          QE    PHE   95 - HA    ALA   64   9.05 +/- 2.25   0.770% * 16.0580% (0.98   0.18   0.02) =   0.159%
          HE3   TRP   27 - HA    ALA   64  13.59 +/- 0.97   0.020% *  1.0431% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.07 +/- 1.35   0.009% *  1.1919% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  16.97 +/- 0.68   0.005% *  1.8261% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  16.74 +/- 0.65   0.006% *  0.6915% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.34 +/- 1.68   0.001% *  0.9693% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.832, support = 2.44, residual support = 8.7:
          QG2   VAL   18 - QB    ALA   64   2.40 +/- 0.50  98.327% * 58.8964% (0.84   2.43   8.75) =  99.381%  kept
          QD2   LEU   73 - QB    ALA   64   5.71 +/- 0.41   0.925% * 38.7712% (0.38   3.56   0.19) =   0.615%  kept
          QD1   ILE   19 - QB    ALA   64   6.70 +/- 0.97   0.383% *  0.2176% (0.38   0.02   0.02) =   0.001%
          QG2   THR   46 - QB    ALA   64   8.45 +/- 1.35   0.140% *  0.4209% (0.73   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   64   8.50 +/- 0.51   0.082% *  0.5682% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.59 +/- 0.67   0.041% *  0.5746% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   56 - QB    ALA   64   8.75 +/- 1.08   0.083% *  0.1015% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.07 +/- 1.39   0.014% *  0.1445% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  12.98 +/- 1.00   0.006% *  0.3050% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.915, support = 1.23, residual support = 6.34:
          QB    ALA   61 - QB    ALA   64   4.12 +/- 0.33  63.706% * 18.8809% (0.92   1.22   7.52) =  69.055%  kept
          HB3   LEU   67 - QB    ALA   64   5.58 +/- 0.52  11.656% * 23.2061% (0.99   1.39   3.59) =  15.529%  kept
          QG    LYS+  66 - QB    ALA   64   6.24 +/- 0.50   6.346% * 19.3500% (0.98   1.17   7.68) =   7.049%  kept
          HG12  ILE   19 - QB    ALA   64   6.56 +/- 1.06   8.688% *  8.8004% (0.65   0.81   0.02) =   4.389%  kept
          HG    LEU   73 - QB    ALA   64   7.61 +/- 0.80   1.849% * 24.8315% (0.87   1.70   0.19) =   2.635%  kept
          HG    LEU   67 - QB    ALA   64   6.32 +/- 0.73   6.104% *  3.7846% (0.28   0.81   3.59) =   1.326%  kept
          QB    ALA  110 - QB    ALA   64  12.29 +/- 2.34   0.631% *  0.2442% (0.73   0.02   0.02) =   0.009%
          HG    LEU   40 - QB    ALA   64   9.21 +/- 0.79   0.597% *  0.1262% (0.38   0.02   0.02) =   0.004%
          HB3   LEU  115 - QB    ALA   64  10.55 +/- 0.93   0.238% *  0.1262% (0.38   0.02   0.02) =   0.002%
          HG    LEU   80 - QB    ALA   64  15.14 +/- 2.24   0.035% *  0.2570% (0.76   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    ALA   64  12.82 +/- 1.66   0.110% *  0.0519% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.45 +/- 1.36   0.013% *  0.2570% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.45 +/- 1.97   0.028% *  0.0839% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.925, support = 1.83, residual support = 4.28:
          HB3   LEU   67 - HA    ALA   64   4.41 +/- 0.47  58.089% * 32.8829% (0.99   1.77   3.59) =  74.133%  kept
          QG    LYS+  66 - HA    ALA   64   6.25 +/- 0.60   8.573% * 43.2275% (0.98   2.36   7.68) =  14.382%  kept
          HG    LEU   67 - HA    ALA   64   5.34 +/- 0.76  25.013% *  9.0830% (0.28   1.74   3.59) =   8.818%  kept
          QB    ALA   61 - HA    ALA   64   6.54 +/- 0.22   5.246% * 12.9630% (0.92   0.75   7.52) =   2.639%  kept
          HG12  ILE   19 - HA    ALA   64   9.08 +/- 1.43   1.444% *  0.2422% (0.65   0.02   0.02) =   0.014%
          HG    LEU   73 - HA    ALA   64   9.85 +/- 1.03   0.521% *  0.3248% (0.87   0.02   0.19) =   0.007%
          QB    ALA  110 - HA    ALA   64  14.98 +/- 2.58   0.317% *  0.2719% (0.73   0.02   0.02) =   0.003%
          HG    LEU   40 - HA    ALA   64   9.65 +/- 0.81   0.554% *  0.1405% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    ALA   64  12.44 +/- 1.01   0.119% *  0.1405% (0.38   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   64  13.64 +/- 2.01   0.099% *  0.0578% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.51 +/- 1.79   0.009% *  0.2862% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  19.72 +/- 2.72   0.008% *  0.2862% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  20.05 +/- 2.36   0.007% *  0.0934% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.7, residual support = 39.5:
        T HB3   PHE   72 - QB    ALA   64   2.71 +/- 0.51  97.428% * 99.3598% (0.76 10.00   2.70  39.53) =  99.997%  kept
          QG    GLU-  15 - QB    ALA   64   7.04 +/- 0.95   1.219% *  0.1230% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QB    ALA   64   6.50 +/- 0.67   0.678% *  0.1128% (0.87  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   8.59 +/- 1.31   0.499% *  0.1086% (0.84  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64   8.73 +/- 1.07   0.161% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  15.48 +/- 1.23   0.007% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  18.24 +/- 1.21   0.002% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.72 +/- 1.37   0.003% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.19 +/- 1.45   0.003% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.6, residual support = 7.52:
        T HA    ALA   61 - QB    ALA   64   3.02 +/- 0.45  98.615% * 99.8142% (1.00 10.00   2.60   7.52) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   6.93 +/- 0.54   1.211% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.71 +/- 0.59   0.100% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.82 +/- 0.58   0.060% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  14.02 +/- 0.83   0.014% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.75:
          HA    VAL   18 - QB    ALA   64   3.05 +/- 0.54  98.796% * 92.8641% (0.90   1.84   8.75) =  99.994%  kept
          HA    VAL   70 - QB    ALA   64   7.04 +/- 0.55   1.096% *  0.4639% (0.41   0.02   0.02) =   0.006%
          HA    GLN  116 - QB    ALA   64  11.58 +/- 1.41   0.058% *  0.4639% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  15.05 +/- 1.25   0.013% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  14.80 +/- 0.85   0.011% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.70 +/- 0.68   0.007% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.14 +/- 0.79   0.007% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.69 +/- 1.25   0.009% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.95 +/- 1.64   0.002% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  21.09 +/- 1.62   0.001% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.05 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   3.48 +/- 0.65  98.422% * 94.1713% (0.49 10.00   1.22   2.45) =  99.963%  kept
        T HA    VAL   42 - QB    ALA   64   8.26 +/- 0.49   1.040% *  3.0998% (0.98 10.00   0.02   0.02) =   0.035%
        T HA    PHE   55 - QB    ALA   64  13.82 +/- 1.34   0.061% *  2.1723% (0.69 10.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   64  14.37 +/- 3.35   0.301% *  0.1187% (0.38  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    ALA   64  11.52 +/- 0.98   0.146% *  0.1300% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.06 +/- 0.82   0.023% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.81 +/- 1.12   0.007% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.75:
          HN    VAL   18 - QB    ALA   64   3.62 +/- 0.73  99.882% * 99.5979% (1.00   2.25   8.75) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  12.61 +/- 1.27   0.087% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  14.96 +/- 0.69   0.031% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 5.05, residual support = 39.5:
        T QD    PHE   72 - QB    ALA   64   2.41 +/- 0.38  96.225% * 85.8573% (0.87 10.00   5.05  39.53) =  99.365%  kept
          HZ    PHE   72 - QB    ALA   64   4.45 +/- 0.63   3.753% * 14.0747% (0.57  1.00   5.02  39.53) =   0.635%  kept
          QE    PHE   45 - QB    ALA   64  10.60 +/- 0.65   0.022% *  0.0680% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.06 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 163.3:
      O   HN    LYS+  65 - HA    LYS+  65   2.83 +/- 0.05  99.994% * 99.9887% (0.71  10.0   6.08 163.31) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.89 +/- 1.46   0.006% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.849, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.67 +/- 1.27  76.586% * 34.8898% (0.87   0.02   0.02) =  96.983%  kept
          HN    SER  117 - HA    LYS+ 121   8.55 +/- 0.59  22.882% *  3.1809% (0.08   0.02   0.02) =   2.642%  kept
          HN    SER  117 - HA    LYS+  65  17.22 +/- 0.96   0.321% * 28.1870% (0.71   0.02   0.02) =   0.329%
          HN    GLY   16 - HA    LYS+ 121  19.06 +/- 2.21   0.183% *  3.9373% (0.10   0.02   0.02) =   0.026%
          HN    SER   82 - HA    LYS+  65  27.28 +/- 1.40   0.020% * 26.7825% (0.67   0.02   0.02) =   0.020%
          HN    SER   82 - HA    LYS+ 121  32.04 +/- 2.07   0.008% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 18 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 = 4.84, residual support = 28.2:
          HN    LYS+  65 - QB    ALA   64   2.72 +/- 0.20 100.000% *100.0000% (0.31   4.84  28.16) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 39.5:
          QE    PHE   72 - HA    ALA   64   2.70 +/- 0.44  99.999% * 99.3434% (0.65   4.06  39.53) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.29 +/- 1.01   0.001% *  0.6566% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.71, residual support = 3.69:
          HA    ASP-  62 - QB    LYS+  65   2.30 +/- 0.51  99.996% * 97.7241% (0.80   1.71   3.69) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.71 +/- 1.20   0.003% *  0.3187% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  18.62 +/- 0.95   0.001% *  0.8104% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.52 +/- 0.95   0.000% *  0.9260% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  22.82 +/- 0.81   0.000% *  0.2209% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.62, residual support = 163.3:
      O   HN    LYS+  65 - QB    LYS+  65   2.32 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.62 163.31) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.89, residual support = 24.9:
          HN    LYS+  66 - QB    LYS+  65   3.01 +/- 0.21  99.396% * 98.6974% (0.53   5.89  24.90) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.63 +/- 0.48   0.422% *  0.6143% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.04 +/- 0.80   0.182% *  0.0861% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.37 +/- 0.75   0.001% *  0.6021% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.43, residual support = 163.3:
          HN    LYS+  65 - HG2   LYS+  65   2.62 +/- 0.44 100.000% *100.0000% (0.31   5.43 163.31) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.859, support = 5.24, residual support = 158.7:
      O T HA    LYS+  65 - HG3   LYS+  65   2.98 +/- 0.68  94.739% * 57.2471% (0.87  10.0 10.00   5.27 163.31) =  96.955%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.92 +/- 0.91   4.350% * 39.1477% (0.59   1.0 10.00   4.19  11.31) =   3.044%  kept
          HA2   GLY   16 - HG3   LYS+  65   7.41 +/- 1.68   0.586% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  16.20 +/- 1.84   0.007% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.14 +/- 2.90   0.057% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.62 +/- 1.05   0.003% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.79 +/- 0.85   0.164% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.55 +/- 1.52   0.003% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.22 +/- 2.36   0.003% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.38 +/- 1.83   0.007% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.65 +/- 1.77   0.012% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.46 +/- 3.64   0.006% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.03 +/- 1.27   0.002% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.69 +/- 1.78   0.013% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.23 +/- 2.35   0.001% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.11 +/- 1.35   0.001% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.82 +/- 2.36   0.012% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.36 +/- 1.36   0.002% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.78 +/- 2.41   0.003% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  19.28 +/- 2.32   0.004% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  20.40 +/- 3.00   0.002% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  22.52 +/- 3.41   0.001% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  20.07 +/- 3.15   0.003% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.08 +/- 3.42   0.001% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.59 +/- 1.84   0.002% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.17 +/- 3.43   0.002% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.14 +/- 1.51   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  25.13 +/- 2.72   0.000% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  24.76 +/- 4.04   0.001% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.81 +/- 1.28   0.003% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.76 +/- 1.36   0.000% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  26.27 +/- 4.21   0.000% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.97 +/- 1.12   0.001% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.46 +/- 3.36   0.000% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.63 +/- 1.74   0.001% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.30 +/- 1.97   0.002% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.35 +/- 3.07   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.80 +/- 1.45   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.00 +/- 1.57   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.01 +/- 1.63   0.000% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.08 +/- 1.53   0.000% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  26.10 +/- 3.41   0.000% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.59 +/- 2.72   0.000% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.10 +/- 2.50   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.71, residual support = 21.8:
          HN    ASP- 105 - HG3   LYS+ 106   4.07 +/- 0.32  99.004% * 91.2368% (0.34   2.71  21.79) =  99.986%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.83 +/- 1.27   0.904% *  1.3052% (0.65   0.02   0.02) =   0.013%
          HN    ASP- 105 - HG3   LYS+  65  18.89 +/- 1.46   0.014% *  1.6039% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.96 +/- 0.82   0.010% *  1.3850% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  18.89 +/- 3.60   0.020% *  0.4759% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  17.05 +/- 1.62   0.026% *  0.3090% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  24.73 +/- 3.75   0.003% *  0.9793% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  24.56 +/- 4.63   0.003% *  0.9228% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.90 +/- 1.41   0.013% *  0.1297% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  28.37 +/- 1.88   0.001% *  1.1340% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.20 +/- 2.19   0.001% *  0.2515% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  29.06 +/- 1.04   0.001% *  0.2669% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.04, residual support = 112.6:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.04  99.870% * 99.6126% (0.53  10.0   5.04 112.62) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.78 +/- 0.67   0.039% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66   9.83 +/- 1.25   0.091% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.95 +/- 0.81   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.02, residual support = 112.6:
      O   HN    LYS+  66 - QB    LYS+  66   2.25 +/- 0.12  99.644% * 99.6126% (0.53  10.0   5.02 112.62) = 100.000%  kept
          QE    PHE   59 - QB    LYS+  66   6.83 +/- 1.24   0.316% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - QB    LYS+  66   8.45 +/- 0.63   0.040% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.84 +/- 0.77   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.522, support = 4.51, residual support = 111.8:
          HN    LYS+  66 - QG    LYS+  66   3.19 +/- 0.55  84.153% * 93.8807% (0.53   4.53 112.62) =  99.237%  kept
          HN    LYS+  66 - HG    LEU   67   5.57 +/- 1.22  13.799% *  4.3817% (0.04   2.74  10.60) =   0.759%  kept
          QE    PHE   59 - QG    LYS+  66   7.12 +/- 1.71   1.423% *  0.1067% (0.14   0.02   0.02) =   0.002%
          QD    PHE   60 - QG    LYS+  66   9.01 +/- 1.05   0.197% *  0.7609% (0.97   0.02   0.02) =   0.002%
          QD    PHE   60 - HG    LEU   67  10.54 +/- 1.44   0.121% *  0.0586% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   9.23 +/- 1.91   0.306% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.36 +/- 1.16   0.000% *  0.7458% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  27.25 +/- 1.66   0.000% *  0.0574% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.71, residual support = 112.6:
          HN    LYS+  66 - QD    LYS+  66   4.19 +/- 0.29  83.550% * 98.1259% (0.53   4.71 112.62) =  99.989%  kept
          QE    PHE   59 - QD    LYS+  66   8.13 +/- 1.58   3.686% *  0.1072% (0.14   0.02   0.02) =   0.005%
          QD    PHE   60 - QD    LYS+  66  10.22 +/- 0.59   0.430% *  0.7643% (0.97   0.02   0.02) =   0.004%
          QE    PHE   59 - HD2   LYS+ 121   6.94 +/- 1.76  11.244% *  0.0133% (0.02   0.02   0.02) =   0.002%
          HN    LYS+  66 - HD2   LYS+ 121  12.48 +/- 2.69   0.973% *  0.0518% (0.07   0.02   0.02) =   0.001%
          QD    PHE   60 - HD2   LYS+ 121  13.08 +/- 1.66   0.116% *  0.0950% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.76 +/- 0.90   0.001% *  0.7492% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  29.33 +/- 2.10   0.001% *  0.0932% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.23, residual support = 58.3:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.789% * 46.3097% (0.47  10.0 10.00   3.06  58.26) =  91.411%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.71 +/- 0.24   7.682% * 51.9824% (0.53  10.0  1.00   5.08  58.26) =   8.588%  kept
          QG    LYS+  66 - HB2   LEU   67   5.63 +/- 1.07   0.502% *  0.0598% (0.61   1.0  1.00   0.02  10.60) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   8.45 +/- 1.34   0.010% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  12.77 +/- 1.59   0.001% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.69 +/- 0.44   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.78 +/- 2.25   0.001% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.47 +/- 1.19   0.001% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  10.66 +/- 2.69   0.004% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.13 +/- 1.63   0.002% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.07 +/- 2.62   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.68 +/- 1.76   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  21.99 +/- 2.59   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 58.3:
      O T QD1   LEU   67 - HB2   LEU   67   2.30 +/- 0.31  99.602% * 98.6993% (0.70  10.0 10.00   3.31  58.26) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.32 +/- 1.44   0.152% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   LEU   67   7.72 +/- 0.72   0.236% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.17 +/- 1.64   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.99 +/- 1.13   0.004% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.31 +/- 0.76   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.43 +/- 1.62   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 58.3:
          HA    LEU   67 - QD2   LEU   67   2.45 +/- 0.41  99.998% * 98.8214% (0.53   2.76  58.26) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.84 +/- 1.21   0.002% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.12, residual support = 58.3:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  99.031% * 96.8242% (0.73  10.0  1.00   3.12  58.26) =  99.997%  kept
        T HG    LEU   40 - QD1   LEU   67   6.22 +/- 1.06   0.252% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QD1   LEU   67   6.42 +/- 1.36   0.391% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QD1   LEU   67   7.91 +/- 2.62   0.263% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  10.92 +/- 2.26   0.012% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.81 +/- 1.51   0.029% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.83 +/- 1.07   0.004% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67   9.97 +/- 1.81   0.014% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.70 +/- 2.07   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  13.08 +/- 1.25   0.002% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 58.3:
      O T HB2   LEU   67 - QD1   LEU   67   2.30 +/- 0.31  98.785% * 98.3333% (0.31  10.0 10.00   3.31  58.26) =  99.997%  kept
          HG2   PRO   68 - QD1   LEU   67   7.03 +/- 0.74   0.402% *  0.2941% (0.92   1.0  1.00   0.02  19.33) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.97 +/- 1.61   0.274% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD1   LEU   67   8.91 +/- 1.49   0.358% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67  10.47 +/- 1.77   0.155% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  11.10 +/- 1.85   0.011% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  11.32 +/- 1.51   0.009% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.04 +/- 1.18   0.003% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  14.82 +/- 2.27   0.002% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  20.24 +/- 1.19   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.28, residual support = 58.3:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  91.977% * 99.2738% (0.87  10.0  1.00   2.28  58.26) =  99.997%  kept
        T QD1   LEU   40 - HG    LEU   67   6.21 +/- 1.31   0.327% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - QG    LYS+  66   4.36 +/- 1.36   5.451% *  0.0076% (0.07   1.0  1.00   0.02  10.60) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.45 +/- 3.24   0.323% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   5.38 +/- 1.88   1.903% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.13 +/- 1.01   0.018% *  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 = 0.337, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   6.91 +/- 2.12  94.139% * 12.0360% (0.22   0.02   0.02) =  81.571%  kept
          QG2   ILE   89 - QD1   LEU   67  15.17 +/- 1.80   2.830% * 52.9912% (0.98   0.02   0.02) =  10.798%  kept
          QG1   VAL   83 - QD1   LEU   67  16.15 +/- 2.57   3.031% * 34.9728% (0.65   0.02   0.02) =   7.631%  kept
    Distance limit 3.09 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.938, support = 3.85, residual support = 35.1:
        T HZ    PHE   72 - QD1   LEU   67   2.70 +/- 0.51  86.329% * 75.7718% (0.97 10.00   3.96  35.14) =  95.190%  kept
        T QD    PHE   72 - QD1   LEU   67   4.47 +/- 0.87  13.654% * 24.2087% (0.41 10.00   1.50  35.14) =   4.810%  kept
          QE    PHE   45 - QD1   LEU   67  11.67 +/- 0.91   0.017% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.12, residual support = 35.1:
          QE    PHE   72 - QD1   LEU   67   2.84 +/- 0.38  99.502% * 99.2753% (0.80   4.12  35.14) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   7.75 +/- 1.54   0.495% *  0.1855% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  16.11 +/- 1.10   0.004% *  0.5391% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.618, support = 0.0199, residual support = 0.0199:
          HA    ALA  124 - HG    LEU   67  10.97 +/- 4.87  34.890% *  6.6623% (0.84  1.00   0.02   0.02) =  60.990%  kept
        T HA    LEU  115 - HG    LEU   67  13.20 +/- 2.24   6.338% * 15.7849% (0.20 10.00   0.02   0.02) =  26.249%  kept
        T HA    ARG+  54 - HG    LEU   67  20.40 +/- 1.84   0.385% * 57.9196% (0.73 10.00   0.02   0.02) =   5.848%  kept
          HA    ALA  124 - QG    LYS+  66  10.13 +/- 2.62  32.060% *  0.5129% (0.06  1.00   0.02   0.02) =   4.314%  kept
          HA    GLU-  36 - HG    LEU   67  20.34 +/- 1.71   0.577% *  7.5452% (0.95  1.00   0.02   0.02) =   1.142%  kept
          HA    LEU  115 - QG    LYS+  66  10.43 +/- 1.73  22.585% *  0.1215% (0.02  1.00   0.02   0.02) =   0.720%  kept
          HA    ASN   28 - HG    LEU   67  20.29 +/- 1.26   0.555% *  1.7758% (0.22  1.00   0.02   0.02) =   0.259%
          HA    ARG+  54 - QG    LYS+  66  15.72 +/- 1.49   1.836% *  0.4459% (0.06  1.00   0.02   0.02) =   0.215%
          HA    LYS+  81 - HG    LEU   67  27.31 +/- 1.69   0.094% *  7.9057% (0.99  1.00   0.02   0.02) =   0.195%
          HA    GLU-  36 - QG    LYS+  66  22.92 +/- 1.06   0.245% *  0.5808% (0.07  1.00   0.02   0.02) =   0.037%
          HA    LYS+  81 - QG    LYS+  66  25.24 +/- 1.29   0.123% *  0.6086% (0.08  1.00   0.02   0.02) =   0.020%
          HA    ASN   28 - QG    LYS+  66  21.59 +/- 1.24   0.313% *  0.1367% (0.02  1.00   0.02   0.02) =   0.011%
    Distance limit 3.88 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.72, residual support = 58.3:
      O   HA    LEU   67 - HG    LEU   67   2.92 +/- 0.43  93.206% * 99.3233% (0.15  10.0   3.72  58.26) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.21 +/- 0.94   6.791% *  0.0076% (0.01   1.0   0.02  10.60) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.68 +/- 1.18   0.001% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  18.92 +/- 1.11   0.002% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.326, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  11.31 +/- 2.38  13.447% * 11.5851% (0.38   0.02   0.02) =  45.402%  kept
          QD    PHE   60 - HG    LEU   67  10.54 +/- 1.44  17.851% *  5.4059% (0.18   0.02   0.02) =  28.126%  kept
          HE3   TRP   27 - HG    LEU   67  16.63 +/- 1.41   0.937% * 26.7757% (0.87   0.02   0.02) =   7.312%  kept
          QE    PHE   95 - QG    LYS+  66   9.82 +/- 2.59  27.203% *  0.8918% (0.03   0.02   0.02) =   7.071%  kept
          QD    PHE   55 - HG    LEU   67  17.95 +/- 2.04   0.641% * 24.7171% (0.80   0.02   0.02) =   4.616%  kept
          QD    PHE   60 - QG    LYS+  66   9.01 +/- 1.05  35.349% *  0.4162% (0.01   0.02   0.02) =   4.287%  kept
          QD    PHE   55 - QG    LYS+  66  13.29 +/- 1.49   3.411% *  1.9027% (0.06   0.02   0.02) =   1.892%  kept
          HN    THR   23 - HG    LEU   67  21.09 +/- 1.46   0.222% * 10.5293% (0.34   0.02   0.02) =   0.680%  kept
          HE3   TRP   27 - QG    LYS+  66  17.75 +/- 1.19   0.591% *  2.0612% (0.07   0.02   0.02) =   0.355%
          HN    LYS+  81 - HG    LEU   67  27.25 +/- 1.66   0.045% * 13.8391% (0.45   0.02   0.02) =   0.183%
          HN    THR   23 - QG    LYS+  66  20.57 +/- 1.14   0.237% *  0.8106% (0.03   0.02   0.02) =   0.056%
          HN    LYS+  81 - QG    LYS+  66  25.36 +/- 1.16   0.066% *  1.0653% (0.03   0.02   0.02) =   0.020%
    Distance limit 3.68 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.06, residual support = 58.3:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.920% * 95.9469% (0.29  10.0 10.00   3.06  58.26) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.40 +/- 0.57   0.058% *  0.2870% (0.87   1.0  1.00   0.02  19.33) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.48 +/- 1.16   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   8.99 +/- 1.60   0.015% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  11.16 +/- 1.78   0.005% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  15.28 +/- 1.55   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  14.87 +/- 1.49   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.07 +/- 1.17   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.51 +/- 2.41   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  24.36 +/- 1.06   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.93 +/- 0.89 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 16.35 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.29, residual support = 58.3:
      O   HN    LEU   67 - HB3   LEU   67   3.38 +/- 0.47  99.330% * 99.4441% (0.54  10.0   4.29  58.26) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.93 +/- 2.44   0.659% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  19.85 +/- 1.51   0.004% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  19.74 +/- 1.35   0.003% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.57 +/- 2.01   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  20.17 +/- 1.08   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 58.3:
      O   HA    LEU   67 - HB2   LEU   67   2.92 +/- 0.16  99.999% * 99.8354% (0.38  10.0   5.04  58.26) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  19.03 +/- 0.43   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.08, residual support = 35.1:
          QE    PHE   72 - HB2   LEU   67   2.59 +/- 0.71  99.829% * 99.0331% (0.58   3.08  35.14) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.88 +/- 1.82   0.169% *  0.2476% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.23 +/- 1.02   0.002% *  0.7194% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.79, residual support = 58.3:
      O   HN    LEU   67 - HB2   LEU   67   2.73 +/- 0.35  99.817% * 99.6033% (0.70  10.0   4.79  58.26) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.13 +/- 2.38   0.173% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  19.14 +/- 1.10   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.16 +/- 1.22   0.004% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.46 +/- 0.74   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.16 +/- 1.61   0.002% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.99 +/- 1.27   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.60 +/- 1.89   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.1:
        T HZ    PHE   72 - HB2   LEU   67   3.08 +/- 0.98  99.985% * 99.9822% (0.63 10.00   2.96  35.14) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.69 +/- 0.95   0.015% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 4.0, residual support = 64.7:
      O T HA    VAL   24 - HB    VAL   24   2.68 +/- 0.27  90.312% * 82.3820% (0.57  10.0 10.00   3.97  65.32) =  97.911%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.12   9.685% * 16.3856% (0.11  10.0  1.00   5.47  35.77) =   2.089%  kept
        T HA    VAL   24 - HB2   PRO   68  23.08 +/- 1.51   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB2   PRO   68  16.28 +/- 1.25   0.002% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.52 +/- 0.45   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.56 +/- 1.12   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 = 65.3:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.986% * 98.0584% (0.63  10.0 10.00   3.25  65.32) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.01 +/- 0.38   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.36 +/- 0.33   0.007% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.46 +/- 1.60   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.36 +/- 1.70   0.001% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.33 +/- 1.39   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.54 +/- 1.46   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.11 +/- 2.29   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.56 +/- 1.49   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.83 +/- 2.43   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.74 +/- 2.96   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.75 +/- 3.77   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 5.82, residual support = 31.9:
      O   HN    ASN   69 - HB2   PRO   68   3.54 +/- 0.71  47.133% * 68.0872% (0.34  10.0   5.85  31.18) =  77.545%  kept
          HN    GLU-  25 - HB    VAL   24   3.53 +/- 0.53  50.178% * 17.8036% (0.31   1.0   5.89  35.16) =  21.587%  kept
          HN    ASN   28 - HB    VAL   24   5.74 +/- 0.28   2.626% * 13.6734% (0.66   1.0   2.10  12.85) =   0.868%  kept
          HN    ASP-  44 - HB    VAL   24  11.53 +/- 1.62   0.057% *  0.0657% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.63 +/- 0.68   0.004% *  0.0806% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.06 +/- 1.56   0.001% *  0.1598% (0.81   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.16 +/- 1.54   0.000% *  0.0743% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.26 +/- 1.13   0.000% *  0.0555% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.3:
      O   HN    VAL   24 - HB    VAL   24   2.35 +/- 0.29 100.000% * 99.8774% (0.33  10.0   4.68  65.32) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.97 +/- 1.48   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.09, residual support = 35.8:
      O   HD3   PRO   68 - HG2   PRO   68   2.54 +/- 0.29  99.997% * 99.5120% (0.57  10.0   3.09  35.77) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  16.06 +/- 1.09   0.002% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.24 +/- 1.43   0.000% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.75 +/- 1.49   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.87 +/- 2.06   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  26.02 +/- 2.26   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 35.8:
      O   HD2   PRO   68 - HG2   PRO   68   2.65 +/- 0.29  99.977% * 99.8205% (0.63  10.0   2.91  35.77) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.01 +/- 1.15   0.020% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  17.28 +/- 1.64   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.24 +/- 1.09   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  24.07 +/- 0.94   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.733, support = 4.8, residual support = 57.9:
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.29  57.915% * 74.8686% (0.84  10.0  1.00   4.83  35.77) =  82.068%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.16  39.697% * 23.8652% (0.27  10.0 10.00   4.66 159.00) =  17.931%  kept
          QB    PHE   55 - HG2   ARG+  54   5.92 +/- 1.05   1.676% *  0.0183% (0.20   1.0  1.00   0.02   3.12) =   0.001%
          HB3   CYS   53 - HG2   ARG+  54   5.94 +/- 0.80   0.670% *  0.0234% (0.26   1.0  1.00   0.02  31.88) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.78 +/- 0.99   0.028% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.46 +/- 1.30   0.012% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.17 +/- 2.23   0.000% *  0.8943% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.18 +/- 0.83   0.001% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.33 +/- 1.20   0.000% *  0.0685% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.92 +/- 1.52   0.000% *  0.0879% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.02 +/- 2.06   0.000% *  0.0778% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.48 +/- 1.80   0.000% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.8:
      O   HD2   PRO   68 - HG3   PRO   68   2.53 +/- 0.28  99.844% * 99.5569% (0.92  10.0  1.00   4.63  35.77) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.17 +/- 0.98   0.010% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.43 +/- 1.20   0.138% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  17.41 +/- 1.22   0.001% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.69 +/- 1.53   0.005% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.35 +/- 0.89   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.32 +/- 1.01   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  21.57 +/- 2.77   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.90 +/- 1.47   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.91 +/- 1.72   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.19, residual support = 35.8:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.135% * 98.5022% (0.98  10.0 10.00   5.19  35.77) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.08 +/- 0.36   0.731% *  0.0070% (0.07   1.0  1.00   0.02  40.41) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.66 +/- 0.64   0.115% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.94 +/- 1.92   0.003% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.59 +/- 0.70   0.008% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.27 +/- 1.28   0.007% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.50 +/- 0.68   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  23.33 +/- 2.05   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.57 +/- 1.02   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.99 +/- 1.15   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.38 +/- 1.51   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.99 +/- 1.98   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.19, residual support = 35.8:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.994% * 99.4504% (0.92  10.0 10.00   5.19  35.77) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.72 +/- 1.04   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.94 +/- 1.92   0.003% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.57 +/- 1.02   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.93 +/- 1.86   0.001% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  23.33 +/- 2.05   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  17.22 +/- 1.13   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.62 +/- 1.37   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  23.32 +/- 0.99   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.58 +/- 1.12   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 = 5.19, residual support = 19.3:
      O   HA    LEU   67 - HD3   PRO   68   2.33 +/- 0.25  99.981% * 99.7870% (0.53  10.0   5.19  19.33) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  10.80 +/- 1.47   0.018% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.41 +/- 0.99   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.78 +/- 1.71   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 19.3:
      O   HA    LEU   67 - HD2   PRO   68   2.31 +/- 0.10  99.997% * 99.8155% (0.53  10.0   4.53  19.33) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.48 +/- 1.00   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.99 +/- 1.44   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.66 +/- 0.59   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.6:
      O   HD21  ASN   69 - HB2   ASN   69   2.98 +/- 0.56  99.892% * 99.5864% (0.65  10.0   3.63  59.59) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.29 +/- 1.22   0.102% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.70 +/- 1.01   0.006% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  27.62 +/- 5.19   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  29.23 +/- 3.42   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  29.43 +/- 1.32   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.38, residual support = 59.6:
      O   HN    ASN   69 - HB2   ASN   69   3.41 +/- 0.48  99.970% * 99.9414% (0.97  10.0   5.38  59.59) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.30 +/- 1.30   0.028% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.96 +/- 1.19   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.6:
      O   HD21  ASN   69 - HB3   ASN   69   2.93 +/- 0.59  99.831% * 99.7810% (0.99  10.0   3.60  59.59) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.10 +/- 1.31   0.169% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  29.69 +/- 3.60   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  28.15 +/- 5.43   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.87, residual support = 59.6:
      O   HN    ASN   69 - HB3   ASN   69   2.96 +/- 0.42  99.987% * 99.9414% (0.97  10.0   4.87  59.59) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  15.10 +/- 1.64   0.012% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.54 +/- 1.19   0.001% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.6:
          HD21  ASN   69 - HA    ASN   69   3.64 +/- 0.45  98.181% * 89.7855% (0.20   3.07  59.59) =  99.979%  kept
          HN    GLN   17 - HA    ASN   69   8.07 +/- 1.20   1.792% *  1.0079% (0.34   0.02   0.02) =   0.020%
          HN    ALA   61 - HA    ASN   69  15.46 +/- 0.67   0.019% *  2.3659% (0.80   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ASN   69  19.33 +/- 1.11   0.005% *  1.1089% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  27.10 +/- 5.13   0.001% *  2.9285% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  28.54 +/- 1.43   0.001% *  2.1455% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  28.42 +/- 3.33   0.001% *  0.6578% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.10 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  15.06 +/- 1.82 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.51 A violated in 20 structures by 11.54 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.334, support = 0.0198, residual support = 0.0198:
        T QB    ALA   88 - HB2   SER   82  10.61 +/- 0.19   2.769% * 37.0886% (0.42 10.00   0.02   0.02) =  30.429%  kept
          QG2   THR   77 - HA    SER   48   6.84 +/- 1.14  45.308% *  1.9923% (0.23  1.00   0.02   0.02) =  26.748%  kept
          HG2   LYS+  99 - HA    VAL   70   8.57 +/- 1.39  13.725% *  3.6274% (0.41  1.00   0.02   0.02) =  14.752%  kept
          QG2   THR   77 - HB2   SER   82   9.50 +/- 1.21   6.260% *  4.2379% (0.48  1.00   0.02   0.02) =   7.861%  kept
        T QB    ALA   88 - HA    SER   48  13.75 +/- 1.79   1.434% * 17.4364% (0.20 10.00   0.02   0.02) =   7.411%  kept
          QG2   THR   23 - HB2   SER   82   8.11 +/- 1.95  24.654% *  0.9519% (0.11  1.00   0.02   0.02) =   6.954%  kept
          HG2   LYS+  38 - HA    VAL   70  11.66 +/- 1.59   3.514% *  4.6421% (0.53  1.00   0.02   0.02) =   4.834%  kept
          QG2   THR   77 - HA    VAL   70  17.13 +/- 0.46   0.155% *  8.7452% (0.99  1.00   0.02   0.02) =   0.402%
          HB2   LEU   31 - HA    VAL   70  14.04 +/- 1.21   0.606% *  1.3614% (0.15  1.00   0.02   0.02) =   0.244%
          QG2   THR   23 - HA    SER   48  13.61 +/- 2.13   0.809% *  0.4475% (0.05  1.00   0.02   0.02) =   0.107%
          QG2   THR   23 - HA    VAL   70  17.77 +/- 0.92   0.137% *  1.9644% (0.22  1.00   0.02   0.02) =   0.080%
          HB2   LEU   31 - HB2   SER   82  16.75 +/- 4.03   0.330% *  0.6597% (0.07  1.00   0.02   0.02) =   0.065%
          QB    ALA   88 - HA    VAL   70  23.47 +/- 2.30   0.025% *  7.6536% (0.87  1.00   0.02   0.02) =   0.057%
          HG2   LYS+ 111 - HA    SER   48  18.62 +/- 3.22   0.178% *  0.3978% (0.05  1.00   0.02   0.02) =   0.021%
          HG2   LYS+ 111 - HA    VAL   70  23.13 +/- 2.69   0.031% *  1.7461% (0.20  1.00   0.02   0.02) =   0.016%
          HG2   LYS+  38 - HB2   SER   82  28.23 +/- 3.95   0.009% *  2.2495% (0.25  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HB2   SER   82  27.96 +/- 3.53   0.009% *  1.7578% (0.20  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HB2   SER   82  27.53 +/- 3.10   0.013% *  0.8462% (0.10  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    SER   48  23.41 +/- 1.18   0.023% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.86 +/- 1.62   0.007% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  31.95 +/- 1.05   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 20 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 32.5:
      O   HN    LEU   71 - HA    VAL   70   2.26 +/- 0.02  99.986% * 99.7573% (0.87  10.0   5.33  32.52) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.34 +/- 2.69   0.012% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  20.51 +/- 1.24   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.70 +/- 0.84   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.28 +/- 1.77   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.69 +/- 2.51   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  24.12 +/- 2.81   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.47 +/- 1.95   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.99 +/- 0.70   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  19.81 +/- 1.81   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  28.97 +/- 2.69   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  29.57 +/- 2.11   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 = 0.97, support = 3.3, residual support = 39.1:
        T HZ    PHE   72 - HB    VAL   70   3.74 +/- 0.94  53.529% * 95.0244% (1.00 10.00   3.30  39.07) =  95.987%  kept
          QD    PHE   72 - HB    VAL   70   4.00 +/- 0.82  44.533% *  4.7738% (0.31  1.00   3.25  39.07) =   4.012%  kept
        T HZ    PHE   72 - QG    GLN   17  10.11 +/- 0.93   0.181% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.91 +/- 0.67   1.707% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.48 +/- 0.69   0.031% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.93 +/- 1.10   0.019% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.78, residual support = 39.1:
          QE    PHE   72 - HB    VAL   70   2.64 +/- 0.79  99.292% * 98.7749% (0.73   3.78  39.07) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   8.16 +/- 0.87   0.551% *  0.0971% (0.13   0.02   0.02) =   0.001%
          QD    PHE   95 - HB    VAL   70  10.00 +/- 1.78   0.130% *  0.2702% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.22 +/- 1.14   0.022% *  0.0502% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.74 +/- 0.87   0.002% *  0.6811% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.59 +/- 1.41   0.004% *  0.1265% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.2:
      O   HN    VAL   70 - HB    VAL   70   2.74 +/- 0.38  99.835% * 99.9336% (0.76  10.0   4.31  81.20) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.74 +/- 0.99   0.163% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.50 +/- 0.61   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.94 +/- 1.31   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.83, residual support = 81.2:
          HN    VAL   70 - QG1   VAL   70   2.56 +/- 0.49  99.993% * 98.2775% (0.28   4.83  81.20) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  13.57 +/- 1.27   0.006% *  0.5497% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.55 +/- 0.81   0.001% *  1.1728% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 1.38, residual support = 1.19:
          HN    VAL   42 - QG2   VAL   70   4.18 +/- 0.24  84.135% * 60.1657% (0.52   1.43   1.30) =  91.122%  kept
          HN    LEU   73 - QG2   VAL   70   5.81 +/- 0.24  12.681% * 38.5777% (0.52   0.92   0.02) =   8.806%  kept
          HN    ILE   19 - QG2   VAL   70   7.40 +/- 0.57   3.185% *  1.2567% (0.77   0.02   0.02) =   0.072%
    Distance limit 3.74 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.685, support = 5.41, residual support = 35.3:
        T HG    LEU   40 - QG2   VAL   70   3.26 +/- 0.52  41.648% * 68.0843% (0.80 10.00   5.89  35.45) =  76.094%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.54 +/- 0.92  31.048% * 28.0526% (0.33 10.00   3.99  35.45) =  23.373%  kept
          HB3   LEU   67 - QG2   VAL   70   4.09 +/- 1.26  20.746% *  0.4988% (0.22  1.00   0.53   0.44) =   0.278%
          HG    LEU   67 - QG2   VAL   70   4.98 +/- 0.92   5.579% *  1.6617% (0.79  1.00   0.49   0.44) =   0.249%
        T HG    LEU   73 - QG2   VAL   70   6.90 +/- 0.91   0.440% *  0.4414% (0.52 10.00   0.02   0.02) =   0.005%
        T HB3   LEU  115 - QG2   VAL   70  11.33 +/- 1.20   0.026% *  0.6808% (0.80 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   7.67 +/- 0.84   0.278% *  0.0306% (0.36  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.46 +/- 1.66   0.013% *  0.4414% (0.52 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.13 +/- 2.06   0.089% *  0.0441% (0.52  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.72 +/- 1.28   0.025% *  0.0521% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   8.78 +/- 0.65   0.106% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.592, support = 2.87, residual support = 39.1:
        T QD    PHE   72 - QG2   VAL   70   2.85 +/- 0.32  57.328% * 53.1587% (0.64 10.00   1.84  39.07) =  60.436%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.08 +/- 0.54  42.631% * 46.7974% (0.52 10.00   4.44  39.07) =  39.564%  kept
          QE    PHE   45 - QG2   VAL   70   9.67 +/- 0.45   0.041% *  0.0439% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.96, residual support = 39.1:
          QE    PHE   72 - QG2   VAL   70   2.22 +/- 0.31  99.996% * 99.6513% (0.80   4.96  39.07) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.27 +/- 1.05   0.003% *  0.1372% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.42 +/- 0.49   0.001% *  0.2115% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.43, residual support = 32.5:
          HN    LEU   71 - QG2   VAL   70   2.34 +/- 0.18  99.960% * 99.3838% (0.76   6.43  32.52) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.07 +/- 1.30   0.013% *  0.0909% (0.22   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70   9.97 +/- 1.13   0.021% *  0.0442% (0.11   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  12.98 +/- 1.50   0.004% *  0.1719% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  14.73 +/- 0.93   0.002% *  0.3092% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.658, support = 2.58, residual support = 39.1:
        T HZ    PHE   72 - QG1   VAL   70   3.51 +/- 0.94  67.414% * 85.9447% (0.65 10.00   2.57  39.07) =  92.729%  kept
          QD    PHE   72 - QG1   VAL   70   4.19 +/- 1.02  32.507% * 13.9748% (0.80  1.00   2.63  39.07) =   7.271%  kept
          QE    PHE   45 - QG1   VAL   70  11.70 +/- 0.61   0.078% *  0.0806% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.06, residual support = 4.37:
          HA    VAL   41 - HB2   LEU   71   3.01 +/- 0.82  99.933% * 98.4558% (0.92   2.06   4.37) = 100.000%  kept
          HA    HIS  122 - HB2   LEU   71  14.29 +/- 3.78   0.032% *  0.9971% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   LEU   71  13.64 +/- 0.43   0.032% *  0.3878% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  21.09 +/- 0.90   0.002% *  0.1594% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.36, residual support = 139.0:
      O   HN    LEU   71 - HB2   LEU   71   2.67 +/- 0.23  99.993% * 99.8011% (0.95  10.0   6.36 139.01) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.97 +/- 1.20   0.004% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  17.86 +/- 1.42   0.001% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.01 +/- 1.57   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  21.74 +/- 0.94   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.29, residual support = 139.0:
      O   HN    LEU   71 - HB3   LEU   71   2.75 +/- 0.62  99.988% * 99.8011% (0.95  10.0   6.29 139.01) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.47 +/- 1.13   0.007% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.55 +/- 1.00   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.69 +/- 1.60   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  18.58 +/- 1.46   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 139.0:
      O   HB2   LEU   71 - HG    LEU   71   2.42 +/- 0.05  99.173% * 99.3720% (0.97  10.0   4.94 139.01) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.50 +/- 1.03   0.160% *  0.0501% (0.49   1.0   0.02   4.37) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.55 +/- 1.02   0.404% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.69 +/- 1.57   0.201% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  11.00 +/- 1.64   0.017% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.03 +/- 0.76   0.004% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.98 +/- 0.93   0.005% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.92 +/- 1.46   0.003% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.12 +/- 1.07   0.013% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.42 +/- 1.33   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  12.42 +/- 1.99   0.010% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.07 +/- 1.11   0.005% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  20.52 +/- 1.66   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  20.11 +/- 4.12   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.98 +/- 1.86   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  19.60 +/- 1.85   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  19.04 +/- 2.04   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.33 +/- 1.84   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.61 +/- 3.26   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.08 +/- 1.26   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.78, residual support = 139.0:
          HN    LEU   71 - QD2   LEU   71   3.69 +/- 0.21  99.877% * 99.7044% (0.87   6.78 139.01) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.88 +/- 0.93   0.111% *  0.0846% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.06 +/- 0.85   0.004% *  0.1651% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.26 +/- 1.24   0.008% *  0.0459% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 20.2:
          HN    PHE   72 - QD2   LEU   71   3.29 +/- 0.32  99.966% * 99.5783% (0.73   5.43  20.18) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.85 +/- 0.53   0.034% *  0.4217% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.14, residual support = 39.6:
      O   HN    LEU   73 - HA    PHE   72   2.24 +/- 0.04  92.907% * 91.4619% (0.61  10.0   5.16  39.85) =  99.382%  kept
          HN    VAL   42 - HA    PHE   72   3.86 +/- 0.69   6.271% *  8.4266% (0.61   1.0   1.84   5.86) =   0.618%  kept
          HN    ILE   19 - HA    PHE   72   4.99 +/- 0.30   0.819% *  0.0200% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.16 +/- 1.02   0.003% *  0.0915% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.14, residual support = 89.2:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.979% * 99.9786% (0.71  10.0   5.14  89.21) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.16 +/- 0.73   0.021% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.372, support = 2.49, residual support = 39.6:
          HG    LEU   73 - HA    PHE   72   4.32 +/- 0.90  73.129% * 69.3945% (0.37   2.51  39.85) =  98.864%  kept
          HB3   LEU   67 - HA    PHE   72   8.16 +/- 0.85   1.386% * 23.0646% (0.66   0.47  35.14) =   0.623%  kept
          HG12  ILE   19 - HA    PHE   72   6.68 +/- 1.61  22.218% *  1.0952% (0.74   0.02   0.02) =   0.474%
          QB    ALA   61 - HA    PHE   72   8.87 +/- 0.81   0.784% *  1.0952% (0.74   0.02   0.02) =   0.017%
          HB3   LYS+  74 - HA    PHE   72   8.09 +/- 0.53   1.306% *  0.4665% (0.31   0.02   0.02) =   0.012%
          QG    LYS+  66 - HA    PHE   72  10.94 +/- 0.90   0.222% *  0.7795% (0.52   0.02   0.17) =   0.003%
          QB    LEU   98 - HA    PHE   72   8.99 +/- 0.70   0.729% *  0.2246% (0.15   0.02   0.02) =   0.003%
          QB    ALA  110 - HA    PHE   72  14.74 +/- 2.29   0.082% *  1.1248% (0.76   0.02   0.02) =   0.002%
          HG    LEU   80 - HA    PHE   72  14.92 +/- 2.80   0.043% *  1.1323% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  15.29 +/- 2.37   0.035% *  0.6883% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.05 +/- 2.16   0.048% *  0.5088% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.56 +/- 1.32   0.018% *  0.4259% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 5 structures by 0.87 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.6, residual support = 39.9:
          QD2   LEU   73 - HB2   PHE   72   4.19 +/- 0.18  95.368% * 98.9720% (0.82   5.60  39.85) =  99.994%  kept
          QG1   VAL   43 - HB2   PHE   72   7.82 +/- 0.83   2.981% *  0.0714% (0.17   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB2   PHE   72  11.26 +/- 1.34   0.404% *  0.3482% (0.81   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB2   PHE   72   9.28 +/- 0.89   1.047% *  0.1231% (0.28   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.44 +/- 1.01   0.165% *  0.3236% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  15.97 +/- 1.13   0.035% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.58 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.56, residual support = 39.5:
        T QB    ALA   64 - HB2   PHE   72   2.69 +/- 0.49  99.989% * 99.9825% (0.84 10.00   2.56  39.53) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.26 +/- 1.11   0.011% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.673, support = 5.47, residual support = 35.5:
          QD2   LEU   73 - HB3   PHE   72   4.56 +/- 0.37  26.190% * 93.7263% (0.72   6.18  39.85) =  87.025%  kept
          QG2   VAL   18 - HB3   PHE   72   3.70 +/- 0.61  71.491% *  5.1123% (0.33   0.75   6.27) =  12.957%  kept
          QG1   VAL   43 - HB3   PHE   72   7.73 +/- 0.83   1.275% *  0.2203% (0.53   0.02   0.02) =   0.010%
          QG1   VAL   41 - HB3   PHE   72   9.27 +/- 0.86   0.400% *  0.2909% (0.69   0.02   0.02) =   0.004%
          QG2   THR   46 - HB3   PHE   72   9.36 +/- 1.41   0.440% *  0.1010% (0.24   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB3   PHE   72  11.08 +/- 1.15   0.146% *  0.2056% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.51 +/- 1.09   0.059% *  0.3436% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.7, residual support = 39.5:
        T QB    ALA   64 - HB3   PHE   72   2.71 +/- 0.51  99.959% * 99.9693% (0.63 10.00   2.70  39.53) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.87 +/- 1.49   0.041% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 6.27:
        T HA    VAL   18 - HB2   PHE   72   3.06 +/- 0.44  98.655% * 89.8248% (0.47 10.00   1.50   6.27) =  99.940%  kept
          HA    VAL   70 - HB2   PHE   72   7.64 +/- 0.51   0.563% *  9.3507% (0.82  1.00   0.90  39.07) =   0.059%
          HA1   GLY   16 - HB2   PHE   72   7.84 +/- 1.21   0.732% *  0.0588% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  13.55 +/- 1.08   0.018% *  0.1283% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.42 +/- 1.82   0.011% *  0.2074% (0.82  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  15.21 +/- 1.08   0.009% *  0.1617% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.83 +/- 0.89   0.007% *  0.1283% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.48 +/- 1.52   0.004% *  0.0370% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  21.37 +/- 2.14   0.001% *  0.1030% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.156, support = 2.23, residual support = 6.61:
          HA    VAL   18 - HB3   PHE   72   3.23 +/- 0.65  98.119% * 39.7414% (0.15  1.00   2.25   6.27) =  98.910%  kept
          HA    VAL   70 - HB3   PHE   72   7.58 +/- 0.56   0.919% * 45.1000% (0.53  1.00   0.74  39.07) =   1.051%  kept
          HA1   GLY   16 - HB3   PHE   72   7.87 +/- 1.39   0.877% *  1.4650% (0.63  1.00   0.02   0.02) =   0.033%
        T HA    LYS+  33 - HB3   PHE   72  15.40 +/- 0.82   0.015% *  6.2269% (0.27 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - HB3   PHE   72  13.65 +/- 0.97   0.029% *  1.9775% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  16.03 +/- 0.80   0.012% *  3.9925% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  15.17 +/- 2.14   0.027% *  1.2237% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PHE   72  21.44 +/- 2.23   0.002% *  0.2730% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.6, residual support = 89.2:
      O T QD    PHE   72 - HB3   PHE   72   2.47 +/- 0.17  99.370% * 99.0530% (0.87  10.0 10.00   4.60  89.21) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72  10.31 +/- 0.70   0.021% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.608% *  0.0306% (0.27   1.0  1.00   0.02  89.21) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.37, residual support = 89.2:
      O T QD    PHE   72 - HB2   PHE   72   2.44 +/- 0.13  99.430% * 99.8767% (0.83  10.0 10.00   4.37  89.21) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.549% *  0.0309% (0.26   1.0  1.00   0.02  89.21) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.41 +/- 0.99   0.020% *  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 = 5.03, residual support = 89.2:
      O   HN    PHE   72 - HB2   PHE   72   2.90 +/- 0.54  99.988% * 99.9402% (0.79  10.0   5.03  89.21) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.51 +/- 0.83   0.012% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.827, support = 0.0198, residual support = 4.19:
          HB2   GLN   30 - HA    LEU   73   6.81 +/- 0.80  46.595% * 10.7462% (0.80   0.02   4.89) =  47.350%  kept
          HG3   GLN   30 - HA    LEU   73   7.32 +/- 0.94  30.440% * 13.3017% (0.99   0.02   4.89) =  38.289%  kept
          HB2   GLN   17 - HA    LEU   73   8.86 +/- 0.93  13.360% *  6.5324% (0.49   0.02   0.02) =   8.253%  kept
          QB    GLU-  15 - HA    LEU   73  10.61 +/- 0.96   4.279% *  6.5324% (0.49   0.02   0.02) =   2.643%  kept
          HB    VAL  108 - HA    LEU   73  16.38 +/- 2.59   1.893% *  7.5980% (0.57   0.02   0.02) =   1.360%  kept
          HB3   PRO   68 - HA    LEU   73  13.73 +/- 1.19   0.837% * 11.6413% (0.87   0.02   0.02) =   0.922%  kept
          HB2   PRO   93 - HA    LEU   73  13.13 +/- 1.38   1.182% *  2.9879% (0.22   0.02   0.02) =   0.334%
          HB3   GLU-  25 - HA    LEU   73  13.34 +/- 0.94   0.833% *  4.1422% (0.31   0.02   0.02) =   0.326%
          HB    ILE  119 - HA    LEU   73  17.42 +/- 1.89   0.222% * 10.7462% (0.80   0.02   0.02) =   0.226%
          HB3   GLU- 100 - HA    LEU   73  18.41 +/- 1.68   0.140% * 11.6413% (0.87   0.02   0.02) =   0.154%
          HB2   ARG+  54 - HA    LEU   73  19.31 +/- 2.17   0.141% *  6.5324% (0.49   0.02   0.02) =   0.087%
          HB2   LYS+ 111 - HA    LEU   73  21.32 +/- 2.30   0.077% *  7.5980% (0.57   0.02   0.02) =   0.056%
    Distance limit 3.67 A violated in 19 structures by 2.24 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.64, residual support = 41.0:
      O   HN    LYS+  74 - HA    LEU   73   2.39 +/- 0.13  99.979% * 99.6525% (0.69  10.0   5.64  40.97) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.17 +/- 0.76   0.019% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.26 +/- 2.72   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  20.98 +/- 1.89   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.12 +/- 1.68   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 = 0.785, support = 6.28, residual support = 166.1:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  46.189% * 97.6685% (0.80  10.0   6.39 170.23) =  97.536%  kept
          HN    ILE   19 - HA    LEU   73   2.99 +/- 0.89  53.323% *  2.1361% (0.18   1.0   2.00   4.00) =   2.463%  kept
          HN    VAL   42 - HA    LEU   73   6.71 +/- 0.81   0.486% *  0.0977% (0.80   1.0   0.02   1.46) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.48 +/- 0.99   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.18, residual support = 170.2:
      O   HN    LEU   73 - HB2   LEU   73   3.14 +/- 0.49  97.299% * 99.6355% (0.38  10.0   6.18 170.23) =  99.997%  kept
          HN    VAL   42 - HB2   LEU   73   5.90 +/- 1.08   2.693% *  0.0996% (0.38   1.0   0.02   1.46) =   0.003%
          HN    LYS+ 106 - HB2   LEU   73  15.52 +/- 1.37   0.008% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.798, support = 1.99, residual support = 7.82:
          HA    VAL   43 - HB2   LEU   73   3.93 +/- 1.22  97.602% * 87.9405% (0.80  1.00   2.00   7.84) =  99.711%  kept
        T HA    HIS   22 - HB2   LEU   73   9.53 +/- 0.93   2.250% * 10.9830% (1.00 10.00   0.02   0.02) =   0.287%
          HA    ASN   69 - HB2   LEU   73  14.02 +/- 0.47   0.148% *  1.0766% (0.98  1.00   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 6 structures by 0.56 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.43, residual support = 41.0:
          HN    LYS+  74 - HB3   LEU   73   3.14 +/- 0.48  99.971% * 97.4934% (0.25   5.43  40.97) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.06 +/- 0.67   0.025% *  0.5917% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  22.11 +/- 3.09   0.002% *  0.8149% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.68 +/- 1.76   0.001% *  1.1000% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.762, support = 5.48, residual support = 161.3:
          HN    LEU   73 - HG    LEU   73   3.27 +/- 0.73  48.727% * 71.9600% (0.80   5.69 170.23) =  90.220%  kept
          HN    VAL   42 - HG    LEU   73   4.55 +/- 1.17  10.900% * 16.1769% (0.80   1.28   1.46) =   4.537%  kept
          HN    ILE   19 - HG12  ILE   19   3.55 +/- 0.73  30.866% *  5.5817% (0.06   6.17 172.08) =   4.433%  kept
          HN    VAL   42 - HG    LEU   40   4.94 +/- 1.20   5.683% *  5.4983% (0.15   2.33   1.42) =   0.804%  kept
          HN    ILE   19 - HG    LEU   73   5.56 +/- 0.89   2.603% *  0.0554% (0.18   0.02   4.00) =   0.004%
          HN    LEU   73 - HG12  ILE   19   6.79 +/- 1.30   0.744% *  0.0827% (0.26   0.02   4.00) =   0.002%
          HN    VAL   42 - HG12  ILE   19   8.62 +/- 1.95   0.308% *  0.0827% (0.26   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.90 +/- 1.24   0.085% *  0.0472% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.43 +/- 0.90   0.017% *  0.0472% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.47 +/- 1.65   0.003% *  0.2532% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.76 +/- 2.78   0.013% *  0.0308% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.68 +/- 0.95   0.014% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.29 +/- 1.52   0.020% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.38 +/- 2.96   0.004% *  0.0308% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.72 +/- 1.93   0.001% *  0.0827% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  14.02 +/- 2.83   0.007% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.49 +/- 1.79   0.003% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.54 +/- 2.91   0.000% *  0.0308% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  17.07 +/- 2.08   0.002% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.59 +/- 1.68   0.001% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.0639, support = 1.54, residual support = 1.82:
          HN    LEU   71 - HG    LEU   40   4.31 +/- 0.81  80.480% * 46.8217% (0.05   1.63   1.94) =  93.906%  kept
          HN    LEU   71 - HG    LEU   73   7.20 +/- 1.02   6.064% * 36.3161% (0.28   0.24   0.02) =   5.488%  kept
          HN    THR   26 - HG    LEU   73   9.96 +/- 1.42   1.151% *  9.2605% (0.84   0.02   0.02) =   0.266%
          HN    THR   26 - HG    LEU   80   7.79 +/- 2.41   6.625% *  1.1268% (0.10   0.02   0.02) =   0.186%
          HN    LEU   71 - HG12  ILE   19   8.30 +/- 1.63   5.370% *  1.0067% (0.09   0.02   0.02) =   0.135%
          HN    THR   26 - HG12  ILE   19  11.73 +/- 0.53   0.249% *  3.0243% (0.27   0.02   0.02) =   0.019%
          HN    THR   26 - HG    LEU   40  18.41 +/- 1.20   0.015% *  1.7265% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  18.96 +/- 2.99   0.021% *  0.3751% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  17.90 +/- 1.85   0.023% *  0.0855% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  26.22 +/- 2.16   0.002% *  0.2567% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 7 structures by 0.53 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 = 7.87, residual support = 168.4:
          HN    LEU   73 - QD2   LEU   73   2.49 +/- 0.54  84.507% * 93.1067% (0.38   7.96 170.23) =  98.898%  kept
          HN    VAL   42 - QD2   LEU   73   3.72 +/- 0.60  14.838% *  5.8991% (0.38   0.50   1.46) =   1.100%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   7.66 +/- 3.32   0.642% *  0.2122% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU   73  12.88 +/- 1.35   0.006% *  0.6223% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.80 +/- 2.11   0.005% *  0.0798% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.31 +/- 1.50   0.002% *  0.0798% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.79, residual support = 41.0:
          HN    LYS+  74 - QD2   LEU   73   3.94 +/- 0.27  99.821% * 96.7579% (0.25   5.79  40.97) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.64 +/- 1.00   0.102% *  0.5507% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  17.66 +/- 2.62   0.025% *  0.7584% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.03 +/- 1.83   0.014% *  1.0237% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.59 +/- 1.05   0.030% *  0.3491% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.32 +/- 1.35   0.006% *  0.1139% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.31 +/- 1.87   0.001% *  0.1878% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.28 +/- 3.36   0.000% *  0.2586% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 187.9:
      O   HN    LYS+  74 - HB2   LYS+  74   2.99 +/- 0.30  99.885% * 99.3064% (0.20  10.0   5.79 187.88) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.11 +/- 0.82   0.112% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.34 +/- 2.42   0.003% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  23.69 +/- 3.12   0.001% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.41, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.21 +/- 0.21  99.374% * 98.5319% (0.41   4.41  31.88) =  99.994%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.95 +/- 0.81   0.606% *  0.9425% (0.87   0.02   0.02) =   0.006%
          HN    LYS+ 112 - HB3   LYS+  74  20.12 +/- 2.62   0.015% *  0.3353% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  23.28 +/- 2.99   0.005% *  0.1903% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 2 structures by 0.59 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.18 +/- 0.63  99.763% * 99.5079% (0.84   5.69  31.88) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.00 +/- 1.43   0.217% *  0.4108% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.47 +/- 2.44   0.014% *  0.0374% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.50 +/- 3.13   0.006% *  0.0439% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 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   3.49 +/- 0.20  99.984% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.59 +/- 1.67   0.016% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.11 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 38.6:
      O   HN    ASP-  78 - HB3   ASP-  78   3.04 +/- 0.60  99.929% * 99.9053% (0.95  10.0   3.95  38.58) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.46 +/- 0.75   0.071% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.08, residual support = 38.6:
      O   HN    ASP-  78 - HB2   ASP-  78   2.67 +/- 0.46  99.955% * 99.9053% (0.95  10.0   5.08  38.58) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.92 +/- 0.60   0.045% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 54.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.86 +/- 0.21  99.979% * 99.1581% (1.00  10.0 10.00   4.25  54.69) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.18 +/- 1.60   0.015% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.18 +/- 0.76   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.12 +/- 0.96   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.38 +/- 0.98   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  29.25 +/- 1.47   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.54, residual support = 54.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.34 +/- 0.16  99.995% * 99.5936% (0.98  10.0   3.54  54.69) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.78 +/- 1.47   0.003% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.20 +/- 1.26   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.95 +/- 1.63   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  20.61 +/- 0.97   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  19.01 +/- 1.40   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.76 +/- 1.59   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  27.57 +/- 1.61   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  24.54 +/- 2.43   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  25.58 +/- 2.02   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  23.35 +/- 1.24   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  30.87 +/- 1.72   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.969, support = 2.34, residual support = 5.51:
          HB2   ASP-  76 - HB3   GLU-  79   3.18 +/- 0.52  92.016% * 37.1980% (1.00  1.00   2.06   4.05) =  87.893%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.38 +/- 0.76   7.729% * 60.9938% (0.76  1.00   4.41  16.14) =  12.106%  kept
          HB2   ASP-  78 - HB2   GLN   90  10.76 +/- 1.83   0.194% *  0.1028% (0.28  1.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HB3   GLU-  79  13.58 +/- 0.96   0.023% *  0.6341% (0.18 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.63 +/- 1.64   0.028% *  0.1342% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.09 +/- 1.84   0.006% *  0.0903% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  22.37 +/- 1.44   0.001% *  0.2356% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.63 +/- 0.97   0.000% *  0.3494% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.31 +/- 1.23   0.001% *  0.0717% (0.20  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.20 +/- 1.67   0.000% *  0.0335% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  32.88 +/- 1.27   0.000% *  0.1298% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  27.16 +/- 1.54   0.000% *  0.0266% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 54.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.86 +/- 0.21  98.215% * 98.8585% (0.80  10.0 10.00   4.25  54.69) = 100.000%  kept
          HB    THR   77 - HB2   GLN   90   7.10 +/- 1.43   0.941% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.85 +/- 0.49   0.278% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   7.62 +/- 1.10   0.498% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.18 +/- 1.60   0.014% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.24 +/- 2.05   0.015% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.03 +/- 0.60   0.013% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.29 +/- 1.33   0.004% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.43 +/- 0.81   0.011% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.16 +/- 1.92   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.24 +/- 1.49   0.002% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.64 +/- 0.93   0.004% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.41 +/- 1.14   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  23.08 +/- 1.79   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.09 +/- 4.69   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.77 +/- 1.87   0.000% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.72 +/- 1.44   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.77 +/- 1.35   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  26.79 +/- 2.04   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  39.88 +/- 3.95   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 95.6:
      O T HA    GLN   90 - HB2   GLN   90   2.42 +/- 0.16  98.579% * 96.0605% (0.27  10.0 10.00   3.96  95.61) =  99.999%  kept
          HA    ALA   91 - HB2   GLN   90   5.19 +/- 0.38   1.387% *  0.0644% (0.18   1.0  1.00   0.02  31.96) =   0.001%
        T HA    GLN   90 - HB3   GLU-  79  12.14 +/- 1.26   0.008% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  10.92 +/- 1.15   0.015% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  13.70 +/- 2.55   0.007% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  16.84 +/- 2.46   0.002% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.32 +/- 3.23   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.94 +/- 2.14   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.71 +/- 1.49   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.84 +/- 0.97   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.80 +/- 2.20   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  20.40 +/- 1.50   0.000% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.962, support = 2.25, residual support = 5.88:
          HB2   ASP-  76 - HB2   GLU-  79   2.92 +/- 0.62  90.515% * 36.6545% (1.00   1.89   4.05) =  84.820%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.11 +/- 0.97   9.466% * 62.7287% (0.76   4.23  16.14) =  15.180%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.94 +/- 1.08   0.015% *  0.0680% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.28 +/- 1.78   0.003% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.70 +/- 0.95   0.000% *  0.3750% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.22 +/- 1.29   0.000% *  0.0769% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.42, residual support = 49.0:
          HN    LEU   80 - HB2   GLU-  79   2.96 +/- 0.66  99.925% * 98.5284% (0.61   5.42  48.96) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.83 +/- 0.51   0.060% *  0.2917% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.80 +/- 1.52   0.011% *  0.2249% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.83 +/- 1.05   0.003% *  0.5198% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.68 +/- 1.13   0.002% *  0.4352% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.56, residual support = 49.0:
          HN    LEU   80 - HB3   GLU-  79   2.70 +/- 0.63  99.469% * 97.9128% (0.61   5.56  48.96) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.76 +/- 1.40   0.400% *  0.1050% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.60 +/- 0.61   0.040% *  0.2827% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.11 +/- 1.49   0.047% *  0.1309% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  12.50 +/- 2.11   0.033% *  0.0810% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  16.01 +/- 1.42   0.006% *  0.2180% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.53 +/- 1.06   0.002% *  0.5038% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.44 +/- 1.13   0.001% *  0.4218% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.78 +/- 1.78   0.000% *  0.1872% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  27.47 +/- 1.68   0.000% *  0.1567% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB2   GLN   90   3.61 +/- 0.46  99.574% * 98.6230% (0.23  10.0   5.59  95.61) =  99.999%  kept
          HN    GLN   90 - HB3   GLU-  79  12.60 +/- 1.05   0.086% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB3   GLU-  79  11.15 +/- 1.47   0.295% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  14.67 +/- 2.22   0.036% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.43 +/- 1.94   0.005% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  24.76 +/- 2.09   0.001% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  24.98 +/- 2.36   0.001% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  24.07 +/- 1.83   0.001% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.17, residual support = 49.0:
          HN    LEU   80 - QG    GLU-  79   3.71 +/- 0.17  99.707% * 98.4565% (0.61   5.17  48.96) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.17 +/- 0.28   0.243% *  0.3060% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  15.69 +/- 1.02   0.019% *  0.5452% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.97 +/- 1.61   0.021% *  0.2359% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.58 +/- 1.01   0.010% *  0.4564% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.52, residual support = 49.0:
      O   HN    LEU   80 - HA    GLU-  79   3.64 +/- 0.01  99.755% * 99.2120% (0.28  10.0   5.52  48.96) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.00 +/- 0.35   0.238% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  19.45 +/- 0.89   0.004% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.60 +/- 0.92   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.622, support = 4.13, residual support = 77.5:
      O   HB2   LEU   80 - QD2   LEU   80   2.49 +/- 0.35  30.953% * 71.2691% (0.87  10.0  1.00   3.86  77.48) =  53.319%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  68.914% * 28.0259% (0.34  10.0  1.00   4.43  77.48) =  46.681%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.62 +/- 2.44   0.067% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   7.64 +/- 1.61   0.051% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  12.62 +/- 2.45   0.002% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.72 +/- 2.32   0.004% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.49 +/- 2.21   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.36 +/- 2.90   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.58 +/- 3.64   0.001% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.51 +/- 2.26   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.79 +/- 1.38   0.002% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.39 +/- 2.36   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  17.59 +/- 1.69   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  19.87 +/- 2.62   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  20.95 +/- 2.21   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.941, support = 4.41, residual support = 32.8:
          HA    THR   23 - QD2   LEU   80   3.10 +/- 1.66  67.554% * 33.2486% (0.99   3.54   7.37) =  61.591%  kept
          HA    LEU   80 - QD2   LEU   80   3.42 +/- 0.63  26.732% * 49.4115% (0.87   6.00  77.48) =  36.220%  kept
          HB    THR   23 - QD2   LEU   80   4.68 +/- 1.56   4.657% * 17.1029% (0.73   2.48   7.37) =   2.184%  kept
          HA    ASP-  78 - QD2   LEU   80   7.60 +/- 0.99   1.056% *  0.1519% (0.80   0.02   3.66) =   0.004%
          HA    ASP- 105 - QD2   LEU   80  18.00 +/- 2.13   0.001% *  0.0851% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 3.29, residual support = 12.5:
          HN    THR   23 - QD2   LEU   80   4.31 +/- 1.78  59.520% * 26.1146% (0.41   3.29   7.37) =  51.136%  kept
          HE3   TRP   27 - QD2   LEU   80   6.25 +/- 3.21  21.179% * 39.3325% (0.92   2.20   7.82) =  27.406%  kept
          HN    LYS+  81 - QD2   LEU   80   5.29 +/- 0.59  19.188% * 33.9918% (0.38   4.69  30.55) =  21.458%  kept
          QE    PHE   95 - QD2   LEU   80  11.93 +/- 1.50   0.094% *  0.1733% (0.45   0.02   0.02) =   0.001%
          QD    PHE   55 - QD2   LEU   80  17.19 +/- 1.40   0.012% *  0.3354% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.04 +/- 1.81   0.006% *  0.0523% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.95, residual support = 9.0:
          HN    VAL   24 - QD2   LEU   80   3.09 +/- 1.70  99.822% * 99.5137% (0.31   2.95   9.00) =  99.999%  kept
          HN    VAL   43 - QD2   LEU   80  10.66 +/- 2.27   0.178% *  0.4863% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 2 structures by 0.45 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.26, support = 3.48, residual support = 21.6:
          HN    LYS+  81 - QD1   LEU   80   4.22 +/- 0.41  29.873% * 63.5373% (0.24   4.90  30.55) =  61.266%  kept
          HN    THR   23 - QD1   LEU   80   4.31 +/- 2.49  61.449% * 18.2047% (0.27   1.28   7.37) =  36.108%  kept
          HE3   TRP   27 - QD1   LEU   80   7.92 +/- 3.23   5.011% * 16.0057% (0.60   0.50   7.82) =   2.589%  kept
          HE3   TRP   27 - QD2   LEU   98   7.62 +/- 1.80   2.728% *  0.3653% (0.34   0.02   0.02) =   0.032%
          QE    PHE   95 - QD2   LEU   98   9.93 +/- 1.66   0.805% *  0.1774% (0.17   0.02   0.02) =   0.005%
          QE    PHE   95 - QD1   LEU   80  12.54 +/- 1.35   0.037% *  0.3095% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  13.43 +/- 1.48   0.030% *  0.1627% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.10 +/- 1.56   0.007% *  0.5988% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.30 +/- 1.60   0.043% *  0.0535% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.56 +/- 1.72   0.005% *  0.3432% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  16.54 +/- 1.96   0.008% *  0.1485% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.83 +/- 2.13   0.003% *  0.0934% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 107.1:
          HN    LYS+  81 - QG    LYS+  81   2.18 +/- 0.30  99.962% * 98.6794% (0.87   5.39 107.05) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.57 +/- 1.52   0.023% *  0.0906% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  13.45 +/- 1.91   0.004% *  0.1892% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.34 +/- 0.91   0.002% *  0.2220% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.20 +/- 1.04   0.003% *  0.0489% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.10 +/- 2.21   0.001% *  0.1584% (0.38   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.49 +/- 1.13   0.001% *  0.1063% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.56 +/- 1.99   0.002% *  0.0416% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.57 +/- 1.93   0.001% *  0.0349% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.50 +/- 2.11   0.000% *  0.1753% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  22.56 +/- 2.20   0.000% *  0.0806% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  19.11 +/- 1.26   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.74 +/- 2.09   0.000% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.74 +/- 0.83   0.000% *  0.0571% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.08 +/- 1.45   0.000% *  0.0758% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.77, residual support = 1.54:
          HN    GLU-  79 - QG    LYS+  81   3.97 +/- 0.11  99.391% * 94.0559% (0.65   0.77   1.54) =  99.997%  kept
          HN    THR   94 - QG    LYS+  81  13.13 +/- 1.30   0.096% *  0.9416% (0.25   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+  33  13.21 +/- 1.43   0.112% *  0.7433% (0.20   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.53 +/- 0.82   0.326% *  0.2072% (0.05   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  16.63 +/- 2.25   0.058% *  0.3416% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.58 +/- 1.04   0.005% *  1.1696% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.16 +/- 0.43   0.002% *  1.5525% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  21.34 +/- 1.61   0.005% *  0.5375% (0.14   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.74 +/- 1.45   0.006% *  0.4508% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.21, residual support = 107.1:
      O   HN    LYS+  81 - QB    LYS+  81   2.44 +/- 0.16  98.741% * 99.1682% (0.38  10.0   5.21 107.05) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.50 +/- 0.58   1.096% *  0.0263% (0.10   1.0   0.02   0.59) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.12 +/- 1.87   0.139% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.78 +/- 0.94   0.016% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  14.12 +/- 2.36   0.004% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.31 +/- 2.20   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  16.33 +/- 1.65   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.75 +/- 1.54   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.15 +/- 1.97   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.09 +/- 1.18   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  25.36 +/- 0.77   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  20.55 +/- 2.03   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 = 5.3, residual support = 107.1:
      O   HN    LYS+  81 - HA    LYS+  81   2.76 +/- 0.04  99.985% * 99.8291% (0.87  10.0   5.30 107.05) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  14.13 +/- 2.75   0.011% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.82 +/- 0.76   0.003% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.95 +/- 2.07   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  26.24 +/- 0.89   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.841, support = 2.09, residual support = 7.76:
          HA    ASP-  78 - QG    LYS+  81   3.14 +/- 0.74  82.989% * 38.6716% (0.98   1.23   0.94) =  76.954%  kept
          HA    LEU   80 - QG    LYS+  81   4.45 +/- 0.32  16.163% * 59.4487% (0.38   4.94  30.55) =  23.040%  kept
          HA    THR   23 - QG    LYS+  81   8.12 +/- 0.93   0.389% *  0.4901% (0.76   0.02   0.02) =   0.005%
          HB    THR   23 - QG    LYS+  81   8.67 +/- 1.48   0.343% *  0.1599% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81  10.33 +/- 0.79   0.074% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  14.93 +/- 0.88   0.008% *  0.2346% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.39 +/- 0.85   0.008% *  0.0766% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.37 +/- 0.95   0.017% *  0.0218% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  19.20 +/- 2.64   0.002% *  0.1152% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.73 +/- 0.92   0.001% *  0.3009% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.81 +/- 0.77   0.003% *  0.0474% (0.07   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.21 +/- 2.01   0.001% *  0.1078% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  22.13 +/- 1.65   0.001% *  0.1383% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  21.71 +/- 2.38   0.001% *  0.0530% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  23.25 +/- 2.08   0.001% *  0.0352% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 34.9:
      O   HN    SER   82 - HB3   SER   82   3.11 +/- 0.14 100.000% * 99.5254% (0.41  10.0   3.71  34.86) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  26.65 +/- 2.75   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  30.29 +/- 2.32   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.371, support = 3.35, residual support = 15.4:
      O   HN    TRP   49 - HA    SER   48   3.53 +/- 0.06  33.174% * 84.6557% (0.40  10.0   3.25  14.91) =  82.340%  kept
          HN    VAL   83 - HB2   SER   82   3.27 +/- 0.18  52.032% * 10.3186% (0.24   1.0   4.10  20.09) =  15.742%  kept
          HN    CYS   50 - HA    SER   48   4.21 +/- 0.59  14.680% *  4.4556% (0.36   1.0   1.17   0.02) =   1.918%  kept
          HE22  GLN   30 - HA    VAL   70  10.02 +/- 1.05   0.080% *  0.0239% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  16.15 +/- 2.41   0.012% *  0.1542% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  17.97 +/- 2.29   0.004% *  0.1386% (0.65   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.42 +/- 1.91   0.011% *  0.0276% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  17.82 +/- 3.38   0.003% *  0.0688% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.07 +/- 1.49   0.001% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.08 +/- 1.10   0.000% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.69 +/- 0.97   0.000% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  23.85 +/- 2.85   0.000% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.32, residual support = 34.9:
      O   HN    SER   82 - HB2   SER   82   2.09 +/- 0.12  99.939% * 99.0159% (0.39  10.0   4.32  34.86) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.76 +/- 1.08   0.058% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.06 +/- 2.31   0.002% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.03 +/- 1.72   0.000% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  21.89 +/- 1.88   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.46 +/- 1.59   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.84 +/- 2.42   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  30.78 +/- 2.20   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  25.67 +/- 2.14   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.35, residual support = 41.8:
          HN    ALA   84 - HB    VAL   83   3.09 +/- 0.22  99.993% * 98.8163% (0.44   5.35  41.81) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  18.89 +/- 3.64   0.004% *  0.6811% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  21.44 +/- 2.02   0.001% *  0.3696% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.92 +/- 1.33   0.002% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 86.9:
      O   HN    VAL   83 - HB    VAL   83   2.37 +/- 0.40  99.991% * 99.8243% (0.65  10.0   4.77  86.93) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.29 +/- 1.79   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  13.92 +/- 1.80   0.007% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.954, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.16 +/- 1.13  90.272% * 31.7530% (0.96   0.02   0.02) =  91.834%  kept
          HD21  ASN   28 - HA    ALA   84  11.84 +/- 2.64   6.976% * 30.7120% (0.93   0.02   0.02) =   6.864%  kept
          QE    PHE   60 - HA    ALA   84  14.15 +/- 2.16   2.007% * 16.7431% (0.51   0.02   0.02) =   1.077%  kept
          HN    ILE   56 - HA    ALA   84  18.24 +/- 1.29   0.601% *  8.8482% (0.27   0.02   0.02) =   0.170%
          HN    LEU   63 - HA    ALA   84  21.62 +/- 1.56   0.144% * 11.9438% (0.36   0.02   0.02) =   0.055%
    Distance limit 3.46 A violated in 20 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.02, residual support = 0.02:
          QE    PHE   45 - HA    ALA   84   6.17 +/- 2.66  99.184% * 37.7702% (0.81   0.02   0.02) =  99.178%  kept
          QD    PHE   72 - HA    ALA   84  17.12 +/- 2.06   0.634% * 43.6396% (0.93   0.02   0.02) =   0.733%  kept
          HZ    PHE   72 - HA    ALA   84  21.64 +/- 2.57   0.182% * 18.5902% (0.40   0.02   0.02) =   0.089%
    Distance limit 4.01 A violated in 15 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.49, residual support = 13.4:
          HB    ILE   89 - HA    ALA   84   3.16 +/- 1.02  99.976% * 98.5774% (0.91   1.49  13.39) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  16.17 +/- 1.70   0.021% *  0.6287% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  23.37 +/- 2.85   0.003% *  0.7939% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 2 structures by 0.22 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.772, support = 3.26, residual support = 28.2:
          QG2   VAL   83 - HA    ALA   84   3.50 +/- 0.32  54.805% * 47.2165% (0.66   3.55  41.81) =  52.096%  kept
          QD1   ILE   89 - HA    ALA   84   3.62 +/- 1.18  45.164% * 52.6869% (0.89   2.95  13.39) =  47.904%  kept
          QD2   LEU   31 - HA    ALA   84  12.80 +/- 2.93   0.031% *  0.0966% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.94, residual support = 13.4:
          HG13  ILE   89 - HA    ALA   84   3.41 +/- 1.51 100.000% *100.0000% (0.55   2.94  13.39) = 100.000%  kept
    Distance limit 3.78 A violated in 5 structures by 0.49 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 3.76, residual support = 28.3:
          QG2   VAL   83 - QB    ALA   84   4.04 +/- 0.47  57.663% * 44.4130% (0.66  1.00   3.91  41.81) =  52.551%  kept
          QD1   ILE   89 - QB    ALA   84   4.28 +/- 1.04  42.223% * 54.7633% (0.89  1.00   3.59  13.39) =  47.447%  kept
        T QD2   LEU   31 - QB    ALA   84  11.64 +/- 2.17   0.114% *  0.8237% (0.24 10.00   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.6, residual support = 13.4:
          HG13  ILE   89 - QB    ALA   84   3.98 +/- 1.57 100.000% *100.0000% (0.55   3.60  13.39) = 100.000%  kept
    Distance limit 3.71 A violated in 7 structures by 0.78 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   5.95 +/- 1.70  99.745% * 73.1356% (0.87   0.02   0.02) =  99.953%  kept
          HD2   HIS  122 - QB    ALA   84  20.76 +/- 1.89   0.152% * 14.2817% (0.17   0.02   0.02) =   0.030%
          HE22  GLN  116 - QB    ALA   84  24.32 +/- 1.73   0.103% * 12.5826% (0.15   0.02   0.02) =   0.018%
    Distance limit 3.93 A violated in 16 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.621, support = 0.0199, residual support = 0.0199:
          HN    TRP   49 - QB    ALA   84   8.94 +/- 1.46  92.619% * 28.9138% (0.59   0.02   0.02) =  88.966%  kept
          HE22  GLN   30 - QB    ALA   84  15.38 +/- 2.06   7.025% * 46.0056% (0.93   0.02   0.02) =  10.737%  kept
          HD22  ASN   69 - QB    ALA   84  24.18 +/- 1.97   0.356% * 25.0806% (0.51   0.02   0.02) =   0.297%
    Distance limit 4.14 A violated in 19 structures by 4.68 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.1:
      O   HN    SER   85 - QB    SER   85   2.17 +/- 0.08  99.984% * 99.7822% (0.99  10.0   3.15  18.14) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.21 +/- 1.63   0.005% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  14.43 +/- 1.56   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.35 +/- 0.81   0.006% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  19.03 +/- 3.50   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.33 +/- 1.55   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  21.54 +/- 3.40   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.41 +/- 0.94   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  25.04 +/- 2.00   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  25.22 +/- 1.09   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.37 +/- 0.86   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.45 +/- 1.13   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   2.99 +/- 0.09  99.852% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  16.35 +/- 2.90   0.005% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  13.72 +/- 1.54   0.015% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  17.42 +/- 3.00   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117   9.80 +/- 1.16   0.112% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.62 +/- 1.25   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.54 +/- 1.08   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.09 +/- 2.11   0.005% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.47 +/- 1.75   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  24.57 +/- 2.15   0.000% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.52 +/- 1.14   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  26.09 +/- 3.12   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.31 +/- 1.30   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.06 +/- 1.05   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.99 +/- 3.14   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.44 +/- 2.07   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.07 +/- 2.23   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.90 +/- 1.50   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.92, residual support = 16.3:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.06 100.000% * 98.5738% (0.12  10.0   2.92  16.28) = 100.000%  kept
          HN    SER  117 - QB    SER   85  26.45 +/- 1.81   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.11 +/- 1.58   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  26.80 +/- 2.18   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.07 +/- 1.40   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.23 +/- 1.55   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HN    SER   85 - HA    SER   85   2.80 +/- 0.04  99.992% * 99.8725% (0.99  10.0   3.65  18.14) = 100.000%  kept
          HN    THR   94 - HA    SER   85  14.47 +/- 1.69   0.007% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  21.93 +/- 3.48   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  24.42 +/- 3.43   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.9:
      O   HN    ASP-  86 - HB3   ASP-  86   2.70 +/- 0.55  99.977% * 99.6620% (0.95  10.0   3.56  41.92) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  15.77 +/- 3.61   0.009% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  14.85 +/- 3.32   0.011% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  20.59 +/- 4.55   0.003% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  25.96 +/- 4.05   0.000% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  29.44 +/- 4.17   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.06, residual support = 41.9:
      O   HN    ASP-  86 - HB2   ASP-  86   2.58 +/- 0.26  99.992% * 99.2641% (0.49  10.0   5.06  41.92) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  15.80 +/- 3.76   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  20.22 +/- 4.82   0.001% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  15.07 +/- 3.39   0.004% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  25.04 +/- 4.54   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  29.08 +/- 4.43   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 3.64, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.67 +/- 0.25  77.233% * 36.8349% (0.38   3.60  22.55) =  67.225%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.88 +/- 0.95  22.583% * 61.4122% (0.61   3.72  22.55) =  32.772%  kept
          HN    ALA   91 - HB2   ASP-  86  10.82 +/- 0.41   0.121% *  0.5151% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  13.17 +/- 3.13   0.060% *  0.5255% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  22.53 +/- 2.08   0.002% *  0.4884% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  23.49 +/- 4.51   0.002% *  0.2239% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   3.05 +/- 0.65  98.934% * 98.2344% (0.22 10.00   2.25  10.83) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   6.64 +/- 0.82   1.050% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  18.28 +/- 3.84   0.005% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  18.24 +/- 1.61   0.004% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.52 +/- 1.44   0.002% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  22.58 +/- 4.94   0.002% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  22.62 +/- 4.41   0.001% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.30 +/- 1.46   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  27.94 +/- 3.91   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.9:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.02  99.995% * 99.2641% (0.49  10.0   4.05  41.92) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  18.03 +/- 3.74   0.002% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  22.31 +/- 4.79   0.001% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  17.02 +/- 3.47   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  27.64 +/- 4.28   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  31.72 +/- 4.14   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.57, residual support = 74.3:
          HE3   TRP   87 - HA    TRP   87   3.31 +/- 0.20  99.780% * 98.5863% (0.99   3.57  74.34) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.63 +/- 1.11   0.211% *  0.4829% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  16.95 +/- 3.00   0.008% *  0.2929% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  23.43 +/- 2.51   0.001% *  0.5139% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  27.59 +/- 3.49   0.000% *  0.1239% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 74.3:
      O   HE3   TRP   87 - HB2   TRP   87   2.49 +/- 0.06  99.928% * 99.7445% (0.99  10.0   3.26  74.34) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.11 +/- 1.29   0.069% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  16.22 +/- 3.11   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  21.72 +/- 3.04   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  25.97 +/- 3.91   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 74.3:
      O   HE3   TRP   87 - HB3   TRP   87   4.04 +/- 0.05  96.214% * 99.7445% (0.99  10.0   3.26  74.34) =  99.997%  kept
          HN    ALA   91 - HB3   TRP   87   7.61 +/- 1.31   3.737% *  0.0873% (0.87   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB3   TRP   87  15.75 +/- 2.69   0.041% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   87  20.84 +/- 2.73   0.006% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  25.44 +/- 3.45   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 1 structures by 0.83 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.901, support = 2.19, residual support = 20.4:
          QD1   ILE   89 - HB2   TRP   87   3.55 +/- 0.63  93.140% * 61.1976% (0.90   2.23  20.80) =  95.658%  kept
          QG2   VAL   83 - HB2   TRP   87   6.00 +/- 0.69   6.743% * 38.3588% (1.00   1.26  12.33) =   4.341%  kept
          QD2   LEU   31 - HB2   TRP   87  13.14 +/- 4.08   0.116% *  0.4436% (0.73   0.02   1.58) =   0.001%
    Distance limit 3.76 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.85, residual support = 20.8:
        T QD1   ILE   89 - HB3   TRP   87   2.35 +/- 0.56  98.431% * 99.8495% (0.45 10.00   3.85  20.80) =  99.999%  kept
          QG2   VAL   83 - HB3   TRP   87   5.43 +/- 0.57   1.359% *  0.0496% (0.22  1.00   0.02  12.33) =   0.001%
          QG2   VAL   75 - HB3   TRP   87   9.04 +/- 2.81   0.206% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  14.88 +/- 3.25   0.004% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.229, support = 0.743, residual support = 20.6:
          HG12  ILE   89 - HB3   TRP   87   3.35 +/- 0.92  91.486% * 54.8868% (0.22   0.75  20.80) =  99.046%  kept
          QB    ALA   91 - HB3   TRP   87   7.43 +/- 2.03   8.407% *  5.7027% (0.87   0.02   0.02) =   0.946%  kept
          HG2   LYS+  74 - HB3   TRP   87  15.33 +/- 2.58   0.031% *  5.8960% (0.90   0.02   0.02) =   0.004%
          QG2   ILE   56 - HB3   TRP   87  14.46 +/- 2.30   0.036% *  2.7027% (0.41   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   TRP   87  20.28 +/- 3.39   0.005% *  5.7027% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  16.96 +/- 3.37   0.014% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  21.43 +/- 4.05   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  22.21 +/- 3.30   0.003% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  18.44 +/- 2.46   0.012% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  23.62 +/- 4.28   0.002% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  27.22 +/- 4.74   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.8:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.02  99.999% * 99.0353% (0.38  10.0   1.63  11.80) = 100.000%  kept
          HN    PHE   55 - HA    ALA   88  20.40 +/- 1.74   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  20.90 +/- 3.14   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  18.86 +/- 1.77   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  25.67 +/- 1.27   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.0, residual support = 11.8:
      O   HN    ALA   88 - QB    ALA   88   2.90 +/- 0.10  99.991% * 99.2109% (0.38  10.0   2.00  11.80) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  17.34 +/- 1.51   0.003% *  0.2294% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.23 +/- 1.52   0.004% *  0.1186% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  18.42 +/- 2.61   0.002% *  0.2294% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  22.04 +/- 1.19   0.001% *  0.2118% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 217.2:
          QD1   ILE   89 - HA    ILE   89   2.55 +/- 0.55  99.353% * 99.6619% (0.92   5.98 217.21) =  99.998%  kept
          QG2   VAL   83 - HA    ILE   89   6.85 +/- 0.71   0.640% *  0.2481% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - HA    ILE   89  14.83 +/- 2.47   0.007% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 41.0:
      O   HN    GLN   90 - HA    ILE   89   2.79 +/- 0.55  99.913% * 99.8365% (0.99  10.0   6.43  41.02) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  11.08 +/- 0.35   0.039% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  12.30 +/- 2.49   0.046% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  20.20 +/- 3.30   0.002% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.01, residual support = 217.2:
      O   HN    ILE   89 - HA    ILE   89   2.61 +/- 0.23  99.998% * 99.6601% (0.76  10.0   6.01 217.21) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  17.22 +/- 2.00   0.001% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  21.70 +/- 1.86   0.000% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  27.61 +/- 2.69   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  23.62 +/- 2.57   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.915, support = 2.43, residual support = 8.41:
          HN    ALA   91 - HA    ILE   89   3.77 +/- 0.64  78.112% * 80.5274% (0.95   2.49   7.70) =  94.561%  kept
          HD1   TRP   87 - HA    ILE   89   4.82 +/- 0.63  20.642% * 17.5025% (0.38   1.36  20.80) =   5.431%  kept
          HE3   TRP   87 - HA    ILE   89   7.84 +/- 0.65   1.230% *  0.4150% (0.61   0.02  20.80) =   0.008%
          HN    TRP   27 - HA    ILE   89  16.94 +/- 1.80   0.010% *  0.6603% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  19.64 +/- 1.99   0.005% *  0.6136% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  26.41 +/- 2.64   0.001% *  0.2813% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 217.2:
      O T QD1   ILE   89 - HB    ILE   89   2.93 +/- 0.38  92.450% * 99.6065% (0.74  10.0 10.00   5.31 217.21) =  99.994%  kept
          QG2   VAL   83 - HB    ILE   89   5.46 +/- 1.47   5.457% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   31 - HB    VAL   43   6.31 +/- 0.54   1.184% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HB    VAL   43   9.07 +/- 2.78   0.308% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   8.31 +/- 3.15   0.587% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  14.06 +/- 2.49   0.014% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 217.2:
      O T HG13  ILE   89 - HB    ILE   89   2.47 +/- 0.23  99.979% * 99.7821% (0.78  10.0 10.00   4.97 217.21) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  11.70 +/- 2.84   0.021% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.58, residual support = 217.2:
      O   HN    ILE   89 - HB    ILE   89   2.78 +/- 0.56  99.889% * 99.5645% (0.61  10.0   5.58 217.21) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.37 +/- 0.88   0.054% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  15.77 +/- 1.82   0.006% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  12.89 +/- 2.91   0.026% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.28 +/- 1.85   0.007% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.00 +/- 0.56   0.005% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.37 +/- 0.58   0.013% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  22.27 +/- 2.27   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.55 +/- 2.44   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  26.82 +/- 2.63   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.08 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  12.29 +/- 2.27 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.48 A violated in 20 structures by 8.81 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.988, residual support = 20.8:
          HD1   TRP   87 - QG2   ILE   89   3.96 +/- 0.20  99.858% * 93.9491% (0.95   0.99  20.80) =  99.999%  kept
          HN    TRP   27 - QG2   ILE   89  12.68 +/- 1.08   0.119% *  0.6855% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   ILE   89  18.52 +/- 2.42   0.013% *  1.6092% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE   89  20.87 +/- 1.90   0.006% *  1.8552% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  21.44 +/- 1.85   0.005% *  1.9011% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.29, residual support = 41.0:
          HN    GLN   90 - QG2   ILE   89   2.69 +/- 0.80  99.725% * 99.1934% (0.61   7.29  41.02) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.50 +/- 0.59   0.256% *  0.4143% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  16.67 +/- 2.73   0.011% *  0.1845% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  17.41 +/- 1.96   0.007% *  0.0693% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  20.43 +/- 1.79   0.002% *  0.1385% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 6.43:
        T HB2   PHE   45 - QG2   ILE   89   5.00 +/- 1.96  94.784% * 99.5807% (0.97 10.00   0.75   6.43) =  99.986%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.92 +/- 2.23   4.168% *  0.2745% (1.00  1.00   0.02   0.02) =   0.012%
          HB2   CYS   21 - QG2   ILE   89  11.99 +/- 1.48   1.048% *  0.1448% (0.53  1.00   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 9 structures by 1.16 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.2, support = 5.38, residual support = 37.7:
          QG    GLN   90 - QG2   ILE   89   4.20 +/- 0.56  67.135% * 77.9864% (0.15   5.83  41.02) =  91.962%  kept
          HG2   MET   92 - QG2   ILE   89   6.01 +/- 1.94  30.586% * 14.9142% (0.73   0.24   0.02) =   8.012%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.21 +/- 1.09   0.740% *  0.9809% (0.57   0.02   0.02) =   0.013%
          HG2   PRO   52 - QG2   ILE   89   8.88 +/- 1.60   0.957% *  0.3857% (0.22   0.02   0.02) =   0.006%
          HB2   ASP-  44 - QG2   ILE   89   9.85 +/- 1.67   0.422% *  0.4817% (0.28   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  12.36 +/- 2.05   0.111% *  1.1208% (0.65   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE   89  14.62 +/- 1.91   0.034% *  0.3429% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  19.36 +/- 1.67   0.007% *  0.6502% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.65 +/- 2.21   0.006% *  0.4320% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  23.86 +/- 1.60   0.002% *  1.2581% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  26.03 +/- 3.08   0.001% *  1.4471% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.492, support = 0.745, residual support = 6.36:
        T HB3   PHE   45 - QG2   ILE   89   4.33 +/- 1.73  88.360% * 90.6569% (0.49 10.00   0.75   6.43) =  98.932%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.68 +/- 1.06  10.918% *  7.9094% (1.00  1.00   0.32   0.02) =   1.067%  kept
          HG3   MET   96 - QG2   ILE   89  10.95 +/- 2.41   0.391% *  0.1694% (0.34  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - QG2   ILE   89  13.91 +/- 2.24   0.127% *  0.2418% (0.49  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QG2   ILE   89  12.14 +/- 2.22   0.176% *  0.0766% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.87 +/- 1.16   0.013% *  0.4793% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  17.24 +/- 1.69   0.014% *  0.3796% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  23.71 +/- 1.85   0.002% *  0.0870% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 2 structures by 0.21 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.463, support = 2.28, residual support = 12.4:
          QB    ALA   84 - QG2   ILE   89   3.54 +/- 0.43  84.127% * 28.8860% (0.49   1.87  13.39) =  84.763%  kept
          QB    ALA   88 - QG2   ILE   89   5.41 +/- 0.12   6.818% * 52.3435% (0.31   5.35   8.07) =  12.449%  kept
          HB3   PRO   93 - QG2   ILE   89   7.52 +/- 1.65   5.548% * 14.0165% (0.45   0.99   0.02) =   2.712%  kept
          HB3   LEU   80 - QG2   ILE   89   7.21 +/- 1.32   3.037% *  0.6279% (0.99   0.02   0.02) =   0.067%
          HB3   ASP-  44 - QG2   ILE   89   9.47 +/- 1.87   0.332% *  0.5495% (0.87   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - QG2   ILE   89  13.78 +/- 2.13   0.066% *  0.6113% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  14.16 +/- 2.52   0.033% *  0.3842% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   ILE   89  14.94 +/- 1.80   0.019% *  0.5992% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  15.48 +/- 1.67   0.014% *  0.6279% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  20.37 +/- 2.08   0.003% *  0.4841% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  21.76 +/- 1.92   0.002% *  0.4600% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  23.20 +/- 2.13   0.001% *  0.4098% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.78, residual support = 217.2:
      O T HG13  ILE   89 - QG2   ILE   89   2.53 +/- 0.33 100.000% *100.0000% (0.98  10.0 10.00   5.78 217.21) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.4, residual support = 217.1:
        T QD1   ILE   89 - QG2   ILE   89   2.13 +/- 0.53  92.315% * 99.2348% (0.92 10.00   6.40 217.21) =  99.938%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.97 +/- 1.16   7.677% *  0.7384% (0.69 10.00   0.02   0.02) =   0.062%
          QD2   LEU   31 - QG2   ILE   89  11.43 +/- 1.76   0.008% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.62, residual support = 217.2:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.02  98.879% * 99.4549% (0.92  10.0 10.00   5.62 217.21) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.39 +/- 1.19   1.110% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  19.72 +/- 3.02   0.000% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.21 +/- 1.54   0.007% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  13.95 +/- 2.97   0.003% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  18.95 +/- 3.24   0.000% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 217.2:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.16 217.21) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  24.68 +/- 3.25   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 217.2:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.02  96.520% * 99.8079% (0.90  10.0 10.00   5.27 217.21) =  99.996%  kept
          QG2   VAL   83 - HG13  ILE   89   5.12 +/- 1.26   3.478% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   31 - HG13  ILE   89  13.45 +/- 2.66   0.003% *  0.0808% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.78, residual support = 217.2:
      O T QG2   ILE   89 - HG13  ILE   89   2.53 +/- 0.33  99.562% * 99.9734% (0.84  10.0 10.00   5.78 217.21) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.21 +/- 1.17   0.438% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 217.2:
      O T HB    ILE   89 - HG13  ILE   89   2.47 +/- 0.23  99.861% * 98.8208% (0.49  10.0 10.00   4.97 217.21) = 100.000%  kept
        T HB    VAL   43 - HG13  ILE   89  11.70 +/- 2.84   0.021% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG13  ILE   89   9.18 +/- 2.23   0.118% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  22.84 +/- 3.29   0.000% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.61 +/- 3.14   0.000% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.53, residual support = 217.2:
          HN    ILE   89 - HG13  ILE   89   3.45 +/- 0.60  99.969% * 98.7816% (0.76   5.53 217.21) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  15.41 +/- 2.44   0.024% *  0.4192% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  21.69 +/- 2.83   0.004% *  0.4421% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  21.80 +/- 2.68   0.002% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  25.97 +/- 2.76   0.001% *  0.2646% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.2:
          HN    ILE   89 - HG12  ILE   89   2.49 +/- 0.62  99.949% * 98.2334% (0.76   5.78 217.21) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  11.33 +/- 1.52   0.036% *  0.1021% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  16.41 +/- 2.47   0.003% *  0.3987% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  17.71 +/- 2.79   0.002% *  0.1705% (0.38   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  22.32 +/- 2.70   0.001% *  0.4205% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.52 +/- 1.47   0.008% *  0.0357% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.04 +/- 1.41   0.001% *  0.1617% (0.36   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  22.42 +/- 3.07   0.000% *  0.0880% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  26.58 +/- 3.11   0.000% *  0.2517% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.70 +/- 3.29   0.000% *  0.1378% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 217.2:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 217.21) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.4, residual support = 217.2:
        T QG2   ILE   89 - QD1   ILE   89   2.13 +/- 0.53  99.697% * 99.7342% (0.84 10.00   6.40 217.21) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.29 +/- 1.02   0.303% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.62, residual support = 217.2:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.02  99.984% * 99.2664% (1.00  10.0 10.00   5.62 217.21) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89  11.17 +/- 2.44   0.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  14.25 +/- 2.28   0.002% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  19.72 +/- 3.02   0.000% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  17.21 +/- 3.00   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  17.45 +/- 2.96   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.14 +/- 2.82   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  17.42 +/- 2.75   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 217.2:
      O T HB    ILE   89 - QD1   ILE   89   2.93 +/- 0.38  99.211% * 98.8208% (0.49  10.0 10.00   5.31 217.21) =  99.996%  kept
        T HB    VAL   43 - QD1   ILE   89   9.07 +/- 2.78   0.329% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - QD1   ILE   89   8.77 +/- 1.60   0.454% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  18.15 +/- 3.03   0.003% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  17.99 +/- 2.98   0.003% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.531, support = 0.0199, residual support = 0.0199:
        T HB3   MET   96 - QD1   ILE   89   9.31 +/- 3.13  81.407% * 63.9859% (0.53 10.00   0.02   0.02) =  96.859%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.68 +/- 1.40  10.718% * 10.5495% (0.87  1.00   0.02   0.02) =   2.102%  kept
          HB    VAL   18 - QD1   ILE   89  16.07 +/- 2.95   4.282% *  7.3765% (0.61  1.00   0.02   0.02) =   0.587%  kept
          HB2   LEU   40 - QD1   ILE   89  18.07 +/- 3.10   1.502% * 10.9071% (0.90  1.00   0.02   0.02) =   0.305%
          HB2   LEU   67 - QD1   ILE   89  18.86 +/- 2.58   1.387% *  4.1485% (0.34  1.00   0.02   0.02) =   0.107%
          HB3   GLU-  14 - QD1   ILE   89  22.59 +/- 3.93   0.706% *  3.0326% (0.25  1.00   0.02   0.02) =   0.040%
    Distance limit 3.50 A violated in 20 structures by 5.31 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.85, residual support = 20.8:
        T HB3   TRP   87 - QD1   ILE   89   2.35 +/- 0.56  99.903% * 99.8369% (0.76 10.00   3.85  20.80) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89  10.08 +/- 3.29   0.096% *  0.0177% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  19.54 +/- 2.15   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  22.92 +/- 2.95   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.506, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  14.04 +/- 2.40  62.362% * 62.4025% (0.57   0.02   0.02) =  73.333%  kept
          HB    THR  118 - QD1   ILE   89  15.55 +/- 2.46  37.638% * 37.5975% (0.34   0.02   0.02) =  26.667%  kept
    Distance limit 2.88 A violated in 20 structures by 9.95 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 0.911, residual support = 6.43:
          QD    PHE   45 - QD1   ILE   89   4.41 +/- 2.51  99.722% * 89.8321% (0.45   0.91   6.43) =  99.988%  kept
          HD2   HIS  122 - QD1   ILE   89  17.77 +/- 2.88   0.140% *  4.3581% (0.99   0.02   0.02) =   0.007%
          HE22  GLN  116 - QD1   ILE   89  21.44 +/- 2.43   0.087% *  4.3099% (0.98   0.02   0.02) =   0.004%
          HE22  GLN   17 - QD1   ILE   89  21.41 +/- 3.21   0.051% *  1.4999% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 6 structures by 1.12 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.925, support = 2.45, residual support = 20.8:
          HN    TRP   87 - QD1   ILE   89   3.92 +/- 0.75  79.930% * 79.0358% (0.97   2.47  20.80) =  94.121%  kept
          HE3   TRP   87 - QD1   ILE   89   5.24 +/- 0.39  20.057% * 19.6721% (0.28   2.13  20.80) =   5.879%  kept
          HN    GLN   17 - QD1   ILE   89  19.96 +/- 2.80   0.008% *  0.6640% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  21.85 +/- 3.18   0.005% *  0.6281% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 217.2:
          HN    ILE   89 - QD1   ILE   89   2.76 +/- 0.73  99.958% * 98.8575% (0.76   5.90 217.21) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  12.99 +/- 2.61   0.028% *  0.3930% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  17.42 +/- 2.45   0.008% *  0.4146% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  21.17 +/- 2.86   0.001% *  0.2481% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  17.89 +/- 2.78   0.004% *  0.0867% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.03, residual support = 95.6:
          HN    GLN   90 - QG    GLN   90   2.25 +/- 0.45  99.991% * 99.2728% (0.69   6.03  95.61) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  13.42 +/- 1.89   0.009% *  0.3293% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  21.50 +/- 2.57   0.000% *  0.3978% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB3   GLN   90   3.38 +/- 0.46  99.907% * 99.8365% (0.83  10.0   5.59  95.61) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  12.37 +/- 1.07   0.052% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.85 +/- 2.24   0.039% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  24.14 +/- 2.28   0.001% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.86, residual support = 54.7:
      O   HN    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.38  99.690% * 98.3257% (0.16  10.0   3.86  54.69) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.76 +/- 1.40   0.206% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.60 +/- 0.61   0.043% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  12.14 +/- 0.64   0.016% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  11.64 +/- 1.41   0.034% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.78 +/- 1.18   0.009% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.53 +/- 1.06   0.002% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.78 +/- 1.78   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.25, residual support = 54.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.86 +/- 0.21  98.215% * 97.1719% (0.57  10.0 10.00   4.25  54.69) =  99.998%  kept
          HB    THR   77 - HB2   GLN   90   7.10 +/- 1.43   0.941% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   7.62 +/- 1.10   0.498% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB3   GLU-  79   7.85 +/- 0.49   0.278% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.18 +/- 1.60   0.014% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.24 +/- 2.05   0.015% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.03 +/- 0.60   0.013% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.43 +/- 0.81   0.011% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.64 +/- 0.93   0.004% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.29 +/- 1.33   0.004% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.16 +/- 1.92   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.24 +/- 1.49   0.002% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.77 +/- 1.87   0.000% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  23.08 +/- 1.79   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.41 +/- 1.14   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.09 +/- 4.69   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.77 +/- 1.35   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  39.88 +/- 3.95   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.618, support = 0.565, residual support = 0.56:
          QB    ALA   88 - QG    GLN   90   3.78 +/- 0.73  88.494% * 90.9438% (0.62   0.57   0.56) =  99.353%  kept
          QG2   THR   77 - QG    GLN   90   6.10 +/- 1.25  11.468% *  4.5616% (0.88   0.02   0.02) =   0.646%  kept
          QG2   THR   23 - QG    GLN   90  13.80 +/- 0.76   0.036% *  1.7466% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  26.11 +/- 1.61   0.001% *  1.1604% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  28.94 +/- 2.00   0.000% *  1.5874% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.21 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 = 0.324, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   7.72 +/- 1.33  93.339% *  3.4351% (0.18   0.02   0.02) =  77.280%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.41 +/- 2.36   2.659% * 17.3580% (0.90   0.02   0.02) =  11.125%  kept
          HD3   LYS+  74 - QG    GLN   90  15.11 +/- 1.41   2.156% * 17.3194% (0.89   0.02   0.02) =   9.000%  kept
          HG2   LYS+ 106 - QG    GLN   90  17.44 +/- 1.72   1.063% *  2.6782% (0.14   0.02   0.02) =   0.686%  kept
          HG    LEU  104 - QG    GLN   90  22.98 +/- 2.13   0.164% * 17.0143% (0.88   0.02   0.02) =   0.674%  kept
          HB3   LYS+ 121 - QG    GLN   90  24.37 +/- 1.57   0.122% * 17.0143% (0.88   0.02   0.02) =   0.500%
          QD    LYS+  66 - QG    GLN   90  24.50 +/- 1.23   0.121% *  9.8273% (0.51   0.02   0.02) =   0.288%
          HG2   LYS+  33 - QG    GLN   90  24.72 +/- 1.95   0.112% *  8.4490% (0.44   0.02   0.02) =   0.229%
          HD2   LYS+ 121 - QG    GLN   90  24.33 +/- 1.66   0.134% *  3.8645% (0.20   0.02   0.02) =   0.125%
          HG2   LYS+  65 - QG    GLN   90  24.17 +/- 1.46   0.129% *  3.0399% (0.16   0.02   0.02) =   0.094%
    Distance limit 3.66 A violated in 19 structures by 3.96 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 64.1:
      O   HG3   MET   92 - HB2   MET   92   2.73 +/- 0.28  99.748% * 96.5136% (0.73  10.0  1.00   2.96  64.10) =  99.998%  kept
        T QG    GLN   90 - HB2   MET   92   8.33 +/- 1.35   0.219% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP- 105 - HB2   MET   92  16.06 +/- 1.21   0.003% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  12.30 +/- 1.09   0.018% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  16.28 +/- 1.75   0.003% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.36 +/- 2.18   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.34 +/- 1.54   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.47 +/- 1.91   0.007% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.07 +/- 1.51   0.002% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  24.63 +/- 1.46   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.44 +/- 1.11   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 64.1:
      O   HN    MET   92 - HB2   MET   92   2.47 +/- 0.48  98.833% * 99.7272% (0.92  10.0   3.94  64.10) = 100.000%  kept
          HN    LYS+ 112 - HB2   MET   92  12.16 +/- 2.70   1.043% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB2   MET   92   9.00 +/- 1.13   0.122% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.56 +/- 1.10   0.002% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  38.27 +/- 3.21   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.1:
      O T HA    MET   92 - HB2   MET   92   2.94 +/- 0.21  99.998% * 99.8006% (0.61  10.0 10.00   3.87  64.10) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  20.02 +/- 1.20   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.52 +/- 1.67   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 64.1:
      O   HG3   MET   92 - HB3   MET   92   2.55 +/- 0.22  99.897% * 99.2141% (0.73  10.0   3.29  64.10) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.18 +/- 1.19   0.075% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.60 +/- 1.10   0.017% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  15.08 +/- 1.79   0.003% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.28 +/- 1.49   0.002% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.37 +/- 0.98   0.002% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.47 +/- 1.59   0.004% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.60 +/- 0.91   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.77 +/- 2.11   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.68 +/- 1.44   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.09 +/- 0.78   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 64.1:
      O T HA    MET   92 - HB3   MET   92   2.71 +/- 0.17  99.999% * 99.8006% (0.61  10.0 10.00   4.22  64.10) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.48 +/- 1.66   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.60 +/- 0.88   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 64.1:
      O T HA    MET   92 - HG2   MET   92   2.73 +/- 0.40  99.999% * 99.8006% (0.61  10.0 10.00   2.49  64.10) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.96 +/- 1.78   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.57 +/- 0.84   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.298, support = 0.425, residual support = 3.15:
          HB2   SER   37 - QG2   THR   39   3.62 +/- 0.17  94.375% * 72.1214% (0.30   0.43   3.17) =  99.445%  kept
          HA1   GLY   16 - QG2   THR   39   8.35 +/- 2.06   5.523% *  6.7932% (0.60   0.02   0.02) =   0.548%  kept
          HA    LYS+  66 - QG2   THR   39  12.07 +/- 0.89   0.079% *  5.2031% (0.46   0.02   0.02) =   0.006%
          HA1   GLY   16 - QG2   THR   23  17.89 +/- 0.95   0.007% *  3.8119% (0.33   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   THR   23  17.44 +/- 1.00   0.009% *  1.8930% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    ALA   91  22.07 +/- 0.93   0.002% *  3.2079% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG2   THR   23  21.88 +/- 0.94   0.002% *  2.9197% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    ALA   91  21.84 +/- 1.47   0.002% *  2.4570% (0.22   0.02   0.02) =   0.000%
          HB2   SER   37 - QB    ALA   91  24.31 +/- 1.35   0.001% *  1.5930% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.24 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 = 4.29, residual support = 64.1:
      O   HN    MET   92 - HB3   MET   92   3.51 +/- 0.31  99.334% * 99.8535% (0.92  10.0   4.29  64.10) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   8.71 +/- 0.66   0.555% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  12.74 +/- 2.52   0.098% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.11 +/- 0.82   0.012% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.748, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   6.95 +/- 0.71  72.102% * 16.4223% (0.80   0.02   0.02) =  90.033%  kept
          HA    GLN   90 - HB3   MET   92   8.79 +/- 0.41  18.941% *  3.5917% (0.18   0.02   0.02) =   5.173%  kept
          HA    PHE   55 - HB3   MET   92  11.95 +/- 2.28   6.890% *  6.3300% (0.31   0.02   0.02) =   3.316%  kept
          HA    VAL   42 - HB3   MET   92  15.71 +/- 0.85   0.588% * 18.3930% (0.90   0.02   0.02) =   0.822%  kept
          HA    PRO   58 - HB3   MET   92  15.50 +/- 2.38   1.273% *  5.1139% (0.25   0.02   0.02) =   0.495%
          HA    GLN   17 - HB3   MET   92  21.84 +/- 1.66   0.083% * 17.7900% (0.87   0.02   0.02) =   0.112%
          HA    LEU   40 - HB3   MET   92  22.24 +/- 0.87   0.070% *  3.1644% (0.15   0.02   0.02) =   0.017%
          HA    SER   37 - HB3   MET   92  30.48 +/- 1.05   0.011% * 17.7900% (0.87   0.02   0.02) =   0.014%
          HA    GLU-  15 - HB3   MET   92  25.37 +/- 1.33   0.033% *  5.7022% (0.28   0.02   0.02) =   0.014%
          HA    SER   13 - HB3   MET   92  31.59 +/- 2.29   0.009% *  5.7022% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.13 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 64.1:
      O T HA    MET   92 - HG3   MET   92   3.21 +/- 0.65  99.984% * 99.9198% (0.99  10.0 10.00   3.97  64.10) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.63 +/- 1.22   0.015% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.33 +/- 1.62   0.001% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 64.1:
          HN    MET   92 - HG3   MET   92   3.93 +/- 0.64  99.244% * 99.2793% (0.92   4.04  64.10) =  99.997%  kept
          HN    THR   46 - HG3   MET   92   9.76 +/- 0.77   0.600% *  0.4066% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  13.74 +/- 2.84   0.136% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.39 +/- 1.19   0.020% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 0.107:
          QD    PHE   45 - HB2   PRO   93   6.29 +/- 1.29  96.020% * 67.4545% (0.41   0.02   0.11) =  99.383%  kept
          HN    LYS+  65 - HB2   PRO   93  14.94 +/- 1.65   1.031% * 25.3164% (0.15   0.02   0.02) =   0.400%
          QD    PHE   45 - HG3   GLN   30  12.84 +/- 0.96   2.521% *  5.2564% (0.03   0.02   0.02) =   0.203%
          HN    LYS+  65 - HG3   GLN   30  16.67 +/- 0.96   0.428% *  1.9728% (0.01   0.02   0.02) =   0.013%
    Distance limit 4.23 A violated in 16 structures by 2.08 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   3.77 +/- 0.24  99.670% * 99.8806% (1.00  10.0   4.40  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  12.53 +/- 2.42   0.261% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.39 +/- 1.64   0.030% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.91 +/- 1.27   0.022% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.56 +/- 1.10   0.011% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  19.65 +/- 2.95   0.007% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.107:
          QD    PHE   45 - HG2   PRO   93   8.02 +/- 1.20  97.696% * 72.7108% (0.41   0.02   0.11) =  99.123%  kept
          HN    LYS+  65 - HG2   PRO   93  16.13 +/- 1.86   2.304% * 27.2892% (0.15   0.02   0.02) =   0.877%  kept
    Distance limit 4.07 A violated in 20 structures by 3.92 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   2.45 +/- 0.24  99.887% * 98.6893% (0.84  10.0  1.00   5.30 132.42) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.44 +/- 1.92   0.060% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.75 +/- 1.43   0.046% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  13.88 +/- 2.53   0.006% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  21.40 +/- 1.86   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.15 +/- 1.66   0.001% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.73 +/- 1.71   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.80 +/- 0.99   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  34.47 +/- 3.12   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.125% * 96.9677% (0.99  10.0 10.00   3.97 132.42) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   5.49 +/- 1.82   0.874% *  0.0367% (0.38   1.0  1.00   0.02   0.24) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.80 +/- 1.93   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.69 +/- 1.17   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.99 +/- 0.76   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  19.85 +/- 2.45   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.79 +/- 1.85   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.71 +/- 1.47   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.25 +/- 1.36   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.34 +/- 2.11   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  97.648% * 97.0769% (0.95  10.0 10.00   3.97 132.42) =  99.980%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  10.67 +/- 4.06   1.858% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.020%
          HB3   MET   92 - HG2   PRO   93   4.44 +/- 0.60   0.491% *  0.0947% (0.92   1.0  1.00   0.02   1.69) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.10 +/- 1.16   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.60 +/- 1.84   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.00 +/- 1.71   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.48 +/- 1.49   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.57 +/- 2.03   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  20.10 +/- 2.31   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.75 +/- 1.14   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.50 +/- 2.28   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.78 +/- 0.77   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.50 +/- 0.28  82.680% * 99.5358% (0.97  10.0   3.97 132.42) =  99.982%  kept
          HB3   CYS   53 - HG3   PRO   93   4.44 +/- 1.66  15.683% *  0.0861% (0.84   1.0   0.02   0.02) =   0.016%
          QB    PHE   55 - HG3   PRO   93   6.81 +/- 2.14   1.554% *  0.1029% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   PRO   93   9.54 +/- 2.35   0.067% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.83 +/- 1.56   0.015% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.42 +/- 1.93   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.68 +/- 0.28  99.945% * 99.4436% (0.25  10.0   3.97 132.42) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  11.40 +/- 1.98   0.052% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  17.70 +/- 1.79   0.002% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.62 +/- 1.65   0.001% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  16.10 +/- 1.91 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.11 A violated in 20 structures by 11.99 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.696, support = 1.81, residual support = 4.14:
          HN    ALA  110 - HD2   PRO   93   7.26 +/- 3.00  60.322% * 77.5773% (0.71   2.00   4.83) =  85.518%  kept
          HN    PHE   45 - HD2   PRO   93   7.85 +/- 0.59  35.736% * 22.1620% (0.61   0.67   0.11) =  14.473%  kept
          HN    ASP-  44 - HD2   PRO   93  11.86 +/- 0.98   3.805% *  0.1221% (0.11   0.02   0.02) =   0.008%
          HN    GLU-  25 - HD2   PRO   93  20.59 +/- 1.77   0.138% *  0.1386% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 13 structures by 1.91 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.373, support = 0.0199, residual support = 0.0199:
          HA    CYS   50 - HD2   PRO   93   7.20 +/- 1.64  50.793% * 13.0143% (0.35   0.02   0.02) =  48.498%  kept
          HA1   GLY  109 - HD2   PRO   93   8.01 +/- 2.59  44.133% * 14.0670% (0.38   0.02   0.02) =  45.547%  kept
          HA    TRP   49 - HD2   PRO   93  10.90 +/- 1.68   3.630% * 18.3659% (0.50   0.02   0.02) =   4.891%  kept
          HA    CYS   21 - HD2   PRO   93  19.55 +/- 1.42   0.335% * 23.1925% (0.63   0.02   0.02) =   0.570%  kept
          HA    ALA   20 - HD2   PRO   93  17.04 +/- 1.49   1.039% *  4.6825% (0.13   0.02   0.02) =   0.357%
          HA    LYS+ 102 - HD2   PRO   93  22.63 +/- 1.03   0.070% * 26.6778% (0.72   0.02   0.02) =   0.137%
    Distance limit 4.13 A violated in 16 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 4.82:
          QB    ALA  110 - HD2   PRO   93   6.29 +/- 3.09  73.749% * 92.9394% (0.69   2.00   4.83) =  99.819%  kept
          QB    ALA   61 - HD2   PRO   93  12.64 +/- 1.77   5.935% *  0.9803% (0.72   0.02   0.02) =   0.085%
          HB3   LEU  115 - HD2   PRO   93  10.84 +/- 2.50  12.563% *  0.1721% (0.13   0.02   0.02) =   0.031%
          HG    LEU   80 - HD2   PRO   93  15.70 +/- 2.13   1.790% *  0.9482% (0.70   0.02   0.02) =   0.025%
          HB2   LEU   80 - HD2   PRO   93  14.62 +/- 1.99   2.655% *  0.4782% (0.35   0.02   0.02) =   0.018%
          HB3   LYS+  74 - HD2   PRO   93  14.42 +/- 1.28   1.677% *  0.3032% (0.22   0.02   0.02) =   0.007%
          HG    LEU   73 - HD2   PRO   93  17.31 +/- 1.15   0.517% *  0.5959% (0.44   0.02   0.02) =   0.004%
          QG    LYS+  66 - HD2   PRO   93  17.74 +/- 2.13   0.331% *  0.7867% (0.58   0.02   0.02) =   0.004%
          HG12  ILE   19 - HD2   PRO   93  20.78 +/- 1.74   0.149% *  0.8811% (0.65   0.02   0.02) =   0.002%
          HB3   LEU   67 - HD2   PRO   93  20.48 +/- 1.48   0.140% *  0.9294% (0.69   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HD2   PRO   93  18.85 +/- 2.52   0.252% *  0.3351% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HD2   PRO   93  24.50 +/- 1.47   0.074% *  0.4782% (0.35   0.02   0.02) =   0.001%
          HG    LEU   40 - HD2   PRO   93  20.23 +/- 1.13   0.169% *  0.1721% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 13 structures by 2.92 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.493, support = 1.77, residual support = 10.3:
          QB    ALA  110 - HD3   PRO   93   6.33 +/- 2.72  31.326% * 57.0486% (0.78   0.75   4.83) =  59.399%  kept
          HB3   LEU   67 - HD3   PRO   68   4.38 +/- 0.41  44.383% * 25.9661% (0.08   3.42  19.33) =  38.304%  kept
          QG    LYS+  66 - HD3   PRO   68   5.56 +/- 1.35  22.801% *  2.9931% (0.05   0.62   0.02) =   2.268%  kept
          QB    ALA   61 - HD3   PRO   93  12.43 +/- 1.70   0.395% *  1.1345% (0.58   0.02   0.02) =   0.015%
          HD3   LYS+ 121 - HD3   PRO   68  13.83 +/- 3.10   0.334% *  0.2607% (0.13   0.02   0.02) =   0.003%
          HB2   LEU   80 - HD3   PRO   93  14.53 +/- 1.80   0.043% *  1.6590% (0.85   0.02   0.02) =   0.002%
          QB    ALA   61 - HD3   PRO   68  10.16 +/- 0.96   0.331% *  0.2019% (0.10   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HD3   PRO   93  14.21 +/- 1.08   0.042% *  1.4043% (0.72   0.02   0.02) =   0.002%
          HG    LEU   80 - HD3   PRO   93  15.61 +/- 2.14   0.032% *  1.4649% (0.75   0.02   0.02) =   0.002%
          HG12  ILE   19 - HD3   PRO   68  12.98 +/- 1.33   0.070% *  0.2881% (0.15   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   93  19.06 +/- 2.36   0.009% *  1.4649% (0.75   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.47 +/- 0.88   0.011% *  0.9227% (0.47   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  14.65 +/- 2.46   0.105% *  0.0868% (0.04   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  20.70 +/- 1.68   0.004% *  1.6190% (0.83   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.72 +/- 2.07   0.010% *  0.5413% (0.28   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.88 +/- 1.89   0.034% *  0.1642% (0.08   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.27 +/- 1.14   0.013% *  0.3071% (0.16   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.46 +/- 1.51   0.004% *  0.8537% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.89 +/- 1.25   0.013% *  0.2499% (0.13   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.32 +/- 2.70   0.008% *  0.2707% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.60 +/- 1.36   0.031% *  0.0547% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  27.21 +/- 2.65   0.001% *  0.4876% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  25.37 +/- 3.06   0.001% *  0.2607% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  25.77 +/- 2.60   0.001% *  0.2953% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.41:
          QG2   ILE   89 - HB    THR   94   5.84 +/- 2.17 100.000% *100.0000% (0.28   2.00   5.41) = 100.000%  kept
    Distance limit 3.27 A violated in 14 structures by 2.59 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.4:
          QD1   ILE   89 - HB    THR   94   6.22 +/- 2.80  77.516% * 98.9959% (0.77   2.00   5.41) =  99.827%  kept
          QG2   VAL   83 - HB    THR   94   8.89 +/- 2.57  15.582% *  0.7366% (0.57   0.02   0.02) =   0.149%
          QD2   LEU   31 - HB    THR   94  11.85 +/- 0.96   6.902% *  0.2674% (0.21   0.02   0.02) =   0.024%
    Distance limit 3.60 A violated in 14 structures by 2.72 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.7:
        T HB2   PHE   45 - HB    THR   94   3.36 +/- 0.80  99.883% * 99.8423% (0.81 10.00   2.96  27.71) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.49 +/- 1.54   0.084% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  14.10 +/- 1.16   0.033% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 2 structures by 0.28 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  12.94 +/- 0.85 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 10.01 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   2.65 +/- 0.21  99.979% * 99.8964% (0.83  10.0   3.08  25.31) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  13.25 +/- 1.41   0.009% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  13.36 +/- 2.39   0.012% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.43, residual support = 27.7:
          HN    PHE   45 - HB    THR   94   4.07 +/- 0.76  96.540% * 99.5187% (0.81   3.43  27.71) =  99.983%  kept
          HN    ALA  110 - HB    THR   94   8.95 +/- 1.97   3.460% *  0.4813% (0.67   0.02   0.02) =   0.017%
    Distance limit 4.14 A violated in 3 structures by 0.27 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   5.10 +/- 1.14 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 17 structures by 1.70 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 14.9:
          HN    PHE   95 - QG2   THR   94   2.26 +/- 0.32 100.000% *100.0000% (0.97   4.30  14.87) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.626, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  11.96 +/- 0.93  27.079% * 27.7167% (0.84   0.02   0.02) =  48.165%  kept
          HA    PHE   59 - HA    PHE   95  10.63 +/- 1.77  57.292% *  8.2742% (0.25   0.02   0.02) =  30.421%  kept
          HA    TRP   87 - HA    PHE   95  15.05 +/- 3.49  10.615% * 25.3593% (0.76   0.02   0.02) =  17.274%  kept
          HA    ASP-  86 - HA    PHE   95  17.56 +/- 3.01   3.772% * 12.4539% (0.38   0.02   0.02) =   3.014%  kept
          HA    GLU-  14 - HA    PHE   95  20.92 +/- 1.72   0.974% * 14.8769% (0.45   0.02   0.02) =   0.930%  kept
          HA    ALA   12 - HA    PHE   95  26.10 +/- 2.61   0.268% * 11.3190% (0.34   0.02   0.02) =   0.195%
    Distance limit 3.46 A violated in 20 structures by 5.87 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   2.51 +/- 0.41  99.970% * 99.8140% (0.87   3.44  73.54) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.73 +/- 0.79   0.030% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.04  99.992% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  10.98 +/- 0.94   0.008% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.54) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.40 +/- 0.16  99.993% * 99.9680% (0.87  10.0   3.00  73.54) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.07 +/- 0.86   0.007% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.58 +/- 0.17  99.987% * 99.9680% (0.87  10.0   3.31  73.54) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.12 +/- 1.09   0.013% *  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   3.33 +/- 0.47 100.000% *100.0000% (0.53  10.0   4.20  73.54) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.87, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.71 +/- 0.46 100.000% *100.0000% (0.53  10.0   3.87  73.54) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.5:
          QG2   VAL  107 - HB3   PHE   95   4.43 +/- 0.79  94.848% * 95.9678% (0.84   1.73  45.49) =  99.964%  kept
          HG13  ILE  119 - HB3   PHE   95   9.05 +/- 2.07   3.002% *  0.5455% (0.41   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HB3   PHE   95  11.85 +/- 1.94   0.526% *  1.3007% (0.98   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   PHE   95   9.86 +/- 1.31   1.345% *  0.4980% (0.38   0.02   0.02) =   0.007%
          QB    ALA   20 - HB3   PHE   95  13.84 +/- 0.78   0.200% *  1.1900% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB3   PHE   95  15.96 +/- 1.01   0.078% *  0.4980% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 8 structures by 0.71 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.605, support = 1.48, residual support = 4.04:
          QD1   LEU   63 - HB3   PHE   95   4.54 +/- 2.12  78.250% * 61.6261% (0.57   1.61   4.05) =  88.073%  kept
          QD2   LEU  115 - HB3   PHE   95   7.12 +/- 2.15  19.248% * 33.8116% (0.90   0.56   3.98) =  11.886%  kept
          QD1   LEU  104 - HB3   PHE   95   9.48 +/- 1.40   0.876% *  1.3539% (1.00   0.02   0.02) =   0.022%
          QD1   LEU   73 - HB3   PHE   95  10.32 +/- 1.04   0.646% *  0.7665% (0.57   0.02   0.02) =   0.009%
          QG1   VAL   83 - HB3   PHE   95  14.55 +/- 2.74   0.230% *  0.9832% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB3   PHE   95  13.44 +/- 1.80   0.151% *  1.2498% (0.92   0.02   0.02) =   0.003%
          QG2   ILE   89 - HB3   PHE   95  11.05 +/- 2.02   0.598% *  0.2089% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 4 structures by 0.47 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.745, residual support = 1.44:
          QG1   VAL   42 - HB3   PHE   95   4.95 +/- 0.86  94.282% * 77.9539% (0.65   0.75   1.45) =  99.078%  kept
          QB    ALA   64 - HB3   PHE   95   8.90 +/- 1.41   3.438% * 18.5985% (0.53   0.22   0.02) =   0.862%  kept
          QB    ALA   47 - HB3   PHE   95  11.53 +/- 1.04   1.508% *  2.4558% (0.76   0.02   0.02) =   0.050%
          HG2   LYS+ 112 - HB3   PHE   95  12.50 +/- 1.44   0.772% *  0.9918% (0.31   0.02   0.02) =   0.010%
    Distance limit 3.65 A violated in 11 structures by 1.28 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.5:
          QG2   VAL  107 - HB2   PHE   95   3.76 +/- 0.50  97.740% * 94.2595% (0.34   3.59  45.49) =  99.968%  kept
          HG13  ILE  119 - HB2   PHE   95   9.10 +/- 1.87   1.897% *  1.3804% (0.90   0.02   0.02) =   0.028%
          HG2   LYS+ 121 - HB2   PHE   95  11.72 +/- 1.75   0.176% *  0.8714% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.53 +/- 0.86   0.045% *  1.4209% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  13.08 +/- 1.90   0.086% *  0.4280% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.56 +/- 1.04   0.020% *  1.3352% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.15 +/- 1.99   0.036% *  0.3046% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.5:
        T HB    VAL  107 - HB2   PHE   95   2.91 +/- 0.78  99.140% * 99.6841% (0.80 10.00   4.31  45.49) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.32 +/- 1.03   0.723% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  10.74 +/- 1.50   0.123% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  18.08 +/- 1.10   0.006% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.25 +/- 0.85   0.002% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.67 +/- 0.65   0.005% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 3 structures by 0.27 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.919, support = 0.747, residual support = 5.38:
          QD1   ILE   89 - QG2   THR   94   5.95 +/- 2.66  75.875% * 97.3666% (0.92   0.75   5.41) =  99.566%  kept
          QG2   VAL   83 - QG2   THR   94   8.19 +/- 2.47  12.433% *  1.9321% (0.69   0.02   0.02) =   0.324%
          QD2   LEU   31 - QG2   THR   94   9.80 +/- 0.77  11.692% *  0.7014% (0.25   0.02   0.02) =   0.111%
    Distance limit 3.06 A violated in 13 structures by 2.89 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.14:
        T HA    LYS+ 106 - HA    MET   96   3.42 +/- 1.06 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.27 A violated in 4 structures by 0.46 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   2.27 +/- 0.08  99.994% * 99.8692% (0.88  10.0   6.07  45.54) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.15 +/- 1.11   0.005% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.64 +/- 0.87   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.5:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.52) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 1.95, residual support = 9.54:
        T QE    PHE   45 - HB2   MET   96   4.54 +/- 1.56  90.688% * 98.2745% (0.49 10.00   1.95   9.54) =  99.933%  kept
        T HZ    PHE   72 - HB2   MET   96  10.85 +/- 1.62   3.237% *  1.5832% (0.76 10.00   0.02   0.02) =   0.057%
          QD    PHE   72 - HB2   MET   96   8.67 +/- 0.91   6.075% *  0.1423% (0.69  1.00   0.02   0.02) =   0.010%
    Distance limit 3.74 A violated in 6 structures by 0.98 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   3.95 +/- 0.35  99.897% * 99.4519% (0.92   6.07  45.54) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.38 +/- 1.07   0.058% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.49 +/- 0.85   0.044% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.12 +/- 2.75   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.88 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 +/- 0.26 100.000% *100.0000% (0.65  10.0   4.06 115.52) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.674, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.26 +/- 1.67  24.251% * 81.6578% (0.99   0.02   0.02) =  58.767%  kept
          QD    PHE   72 - HB3   MET   96   9.12 +/- 1.06  75.749% * 18.3422% (0.22   0.02   0.02) =  41.233%  kept
    Distance limit 3.59 A violated in 20 structures by 5.11 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   2.76 +/- 0.43 100.000% *100.0000% (0.65  10.0   3.97 115.52) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   3.12 +/- 0.90  97.095% * 94.5898% (0.73   2.00  16.40) =  99.973%  kept
          QG1   VAL   41 - HB2   MET   96   7.58 +/- 0.85   1.764% *  0.6853% (0.53   0.02   0.02) =   0.013%
          QD2   LEU  104 - HB2   MET   96   8.55 +/- 1.33   0.692% *  1.0431% (0.80   0.02   0.02) =   0.008%
          QG2   THR   46 - HB2   MET   96  10.17 +/- 1.13   0.222% *  1.2768% (0.98   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB2   MET   96  12.30 +/- 1.18   0.119% *  1.2025% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB2   MET   96  11.62 +/- 1.18   0.107% *  1.2025% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.882, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   7.78 +/- 0.82  54.858% * 36.4416% (0.92   0.02   0.02) =  58.145%  kept
          QG2   VAL   83 - HB2   MET   96   9.97 +/- 3.20  23.048% * 36.4416% (0.92   0.02   0.02) =  24.429%  kept
          QD1   ILE   89 - HB2   MET   96   9.78 +/- 2.89  22.094% * 27.1168% (0.69   0.02   0.02) =  17.426%  kept
    Distance limit 3.84 A violated in 20 structures by 3.00 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   9.31 +/- 3.13  56.919% * 94.3530% (0.69 10.00   0.02   0.02) =  95.666%  kept
          QG2   VAL   83 - HB3   MET   96   9.93 +/- 3.19  43.081% *  5.6470% (0.41  1.00   0.02   0.02) =   4.334%  kept
    Distance limit 3.83 A violated in 20 structures by 4.46 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.5:
          HN    PHE   97 - HG2   MET   96   3.54 +/- 0.61  99.523% * 99.1286% (0.92   5.60  45.54) =  99.999%  kept
          HN    LEU  115 - HB2   PRO   52  10.84 +/- 1.84   0.389% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.34 +/- 1.67   0.047% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.31 +/- 2.63   0.017% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  15.45 +/- 1.31   0.022% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.98 +/- 3.09   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.02 +/- 2.56   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.46 +/- 2.41   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.04, residual support = 45.5:
          HN    PHE   97 - HG3   MET   96   3.36 +/- 0.51  99.967% * 99.5679% (0.54   6.04  45.54) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.30 +/- 1.12   0.026% *  0.3298% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.63 +/- 1.08   0.007% *  0.1023% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.583, support = 1.96, residual support = 5.21:
          HG13  ILE  103 - HG2   MET   96   4.18 +/- 1.96  60.159% * 31.2994% (0.25   2.50   7.13) =  54.837%  kept
          QG2   THR   94 - HG2   MET   96   4.89 +/- 1.00  23.909% * 64.6937% (0.99   1.30   2.89) =  45.047%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.58 +/- 3.59   9.405% *  0.2559% (0.25   0.02   0.02) =   0.070%
          HB3   LYS+ 112 - HB2   PRO   52   9.63 +/- 3.22   3.423% *  0.2891% (0.29   0.02   0.02) =   0.029%
          QG2   THR   94 - HB2   PRO   52  10.47 +/- 2.53   1.709% *  0.2924% (0.29   0.02   0.02) =   0.015%
          HG3   LYS+ 111 - HB2   PRO   52   8.80 +/- 2.40   1.329% *  0.0455% (0.05   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  12.86 +/- 1.26   0.045% *  0.8041% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  18.98 +/- 1.63   0.003% *  0.9843% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.46 +/- 2.22   0.003% *  0.8710% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.35 +/- 2.29   0.011% *  0.1549% (0.15   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.18 +/- 3.01   0.003% *  0.0736% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.43 +/- 2.42   0.001% *  0.2362% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.792, support = 2.37, residual support = 6.57:
          QG2   ILE  103 - HG2   MET   96   4.38 +/- 1.35  28.301% * 51.0307% (1.00   2.80   7.13) =  52.603%  kept
          QD1   ILE  103 - HG2   MET   96   3.91 +/- 1.89  62.944% * 17.2396% (0.49   1.94   7.13) =  39.524%  kept
          QD2   LEU   40 - HG2   MET   96   7.26 +/- 0.86   7.210% * 29.9326% (0.95   1.73   0.02) =   7.861%  kept
          QD1   LEU   67 - HG2   MET   96  11.04 +/- 1.36   0.501% *  0.3529% (0.97   0.02   0.02) =   0.006%
          HB    VAL   75 - HG2   MET   96  11.04 +/- 0.89   0.505% *  0.1373% (0.38   0.02   0.02) =   0.003%
          QD2   LEU   71 - HG2   MET   96  12.73 +/- 1.11   0.181% *  0.2218% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG2   MET   96  15.32 +/- 0.72   0.053% *  0.3625% (0.99   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG2   MET   96  14.16 +/- 2.23   0.067% *  0.1129% (0.31   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.09 +/- 1.81   0.101% *  0.0332% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  15.54 +/- 1.77   0.025% *  0.1065% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.38 +/- 2.34   0.020% *  0.1037% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  16.03 +/- 2.62   0.045% *  0.0403% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.49 +/- 2.57   0.016% *  0.1072% (0.29   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  18.91 +/- 2.17   0.012% *  0.1016% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  17.94 +/- 2.69   0.014% *  0.0523% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.25 +/- 1.78   0.005% *  0.0652% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 3 structures by 0.31 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.244, support = 0.437, residual support = 0.568:
          HG    LEU   98 - HG3   MET   96   5.46 +/- 1.95  36.679% * 10.8072% (0.25   0.24   0.39) =  45.817%  kept
          QB    LEU   98 - HG3   MET   96   5.78 +/- 1.13  18.984% * 18.9262% (0.14   0.77   0.39) =  41.529%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.06 +/- 1.38  41.217% *  2.2119% (0.61   0.02   2.14) =  10.537%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.50 +/- 1.41   0.264% * 53.3947% (0.59   0.50   0.02) =   1.628%  kept
          HB    VAL   42 - HG3   MET   96   9.09 +/- 0.73   1.286% *  1.9881% (0.54   0.02   0.02) =   0.295%
          HB3   LEU   73 - HG3   MET   96  11.87 +/- 1.43   0.330% *  2.0970% (0.57   0.02   0.02) =   0.080%
          HB3   PRO   93 - HG3   MET   96  12.00 +/- 1.01   0.275% *  1.2550% (0.34   0.02   0.02) =   0.040%
          HB3   ASP-  44 - HG3   MET   96   9.89 +/- 0.75   0.718% *  0.4387% (0.12   0.02   0.02) =   0.036%
          QB    ALA   84 - HG3   MET   96  13.71 +/- 2.28   0.176% *  1.1663% (0.32   0.02   0.02) =   0.024%
          HG3   LYS+  33 - HG3   MET   96  17.34 +/- 0.93   0.024% *  1.8516% (0.51   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HG3   MET   96  18.75 +/- 0.84   0.016% *  2.1972% (0.60   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HG3   MET   96  19.95 +/- 1.09   0.011% *  1.9881% (0.54   0.02   0.02) =   0.002%
          QB    ALA  124 - HG3   MET   96  18.69 +/- 2.92   0.016% *  0.6842% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.48 +/- 2.68   0.004% *  0.9939% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 3 structures by 0.37 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 = 0.353, support = 1.89, residual support = 5.23:
          HG13  ILE  103 - HG3   MET   96   3.99 +/- 1.65  72.890% * 28.1375% (0.15  1.00   2.37   7.13) =  55.114%  kept
          QG2   THR   94 - HG3   MET   96   4.86 +/- 0.71  27.043% * 61.7617% (0.60  1.00   1.31   2.89) =  44.884%  kept
        T HD2   LYS+ 112 - HG3   MET   96  19.47 +/- 1.63   0.005% *  8.2584% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   MET   96  13.05 +/- 0.84   0.045% *  0.7623% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.96 +/- 0.91   0.004% *  0.9332% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.25 +/- 2.12   0.013% *  0.1469% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.499, support = 2.26, residual support = 6.98:
          QG2   ILE  103 - HG3   MET   96   4.17 +/- 1.16  37.356% * 62.4797% (0.61   2.55   7.13) =  64.094%  kept
          QD1   ILE  103 - HG3   MET   96   3.91 +/- 1.48  56.850% * 21.7166% (0.30   1.81   7.13) =  33.903%  kept
          QD2   LEU   40 - HG3   MET   96   7.32 +/- 0.97   5.118% * 14.2073% (0.57   0.61   0.02) =   1.997%  kept
          QD1   LEU   67 - HG3   MET   96  11.10 +/- 1.38   0.312% *  0.4745% (0.59   0.02   0.02) =   0.004%
          HB    VAL   75 - HG3   MET   96  11.26 +/- 0.91   0.190% *  0.1845% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.89 +/- 0.72   0.103% *  0.2982% (0.37   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG3   MET   96  15.52 +/- 0.56   0.027% *  0.4874% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  14.22 +/- 2.01   0.043% *  0.1518% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 2 structures by 0.20 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   2.22 +/- 0.10 100.000% *100.0000% (0.80  10.0   3.47  11.01) = 100.000%  kept
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.989% * 99.8692% (0.90  10.0   4.73  62.58) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  14.10 +/- 1.11   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.84 +/- 0.90   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.51 +/- 0.16  99.996% * 99.9164% (0.45  10.0 10.00   2.44  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  16.80 +/- 6.09   0.004% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.38, residual support = 56.1:
          HN    ASP- 105 - HB2   PHE   97   2.34 +/- 0.54  99.999% * 99.8926% (0.95   7.38  56.05) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  20.74 +/- 3.31   0.001% *  0.1074% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 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   2.57 +/- 0.32  99.989% * 99.8692% (0.90  10.0   4.84  62.58) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.62 +/- 1.24   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  16.26 +/- 1.08   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.95, support = 3.48, residual support = 46.2:
        T HB3   ASP- 105 - HB2   PHE   97   3.65 +/- 0.87  70.879% * 55.0882% (0.99 10.00   3.83  56.05) =  78.213%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.90 +/- 1.23  24.436% * 44.5050% (0.80 10.00   2.22  10.82) =  21.784%  kept
          HB    ILE  103 - HB2   PHE   97   7.14 +/- 0.84   1.940% *  0.0556% (1.00  1.00   0.02   1.17) =   0.002%
          HG12  ILE  103 - HB2   PHE   97   6.85 +/- 1.15   2.601% *  0.0110% (0.20  1.00   0.02   1.17) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  15.71 +/- 2.27   0.060% *  0.0555% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  14.58 +/- 3.37   0.036% *  0.0228% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  16.00 +/- 0.76   0.010% *  0.0526% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.43 +/- 1.44   0.015% *  0.0209% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.93 +/- 0.96   0.014% *  0.0139% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.60 +/- 2.16   0.005% *  0.0228% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.86 +/- 1.60   0.002% *  0.0555% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.03 +/- 0.97   0.001% *  0.0498% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  22.39 +/- 1.67   0.001% *  0.0464% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.308, support = 4.56, residual support = 16.5:
        T HB2   LEU  104 - HB2   PHE   97   3.34 +/- 0.71  65.117% * 81.8775% (0.31 10.00   4.68  17.28) =  94.805%  kept
          QG2   ILE  103 - HB2   PHE   97   4.34 +/- 0.76  17.669% *  9.7011% (0.25  1.00   2.93   1.17) =   3.048%  kept
          QD2   LEU   40 - HB2   PHE   97   4.54 +/- 0.73  15.417% *  7.8201% (0.38  1.00   1.57   1.79) =   2.144%  kept
          QD1   LEU   67 - HB2   PHE   97   7.53 +/- 1.58   0.910% *  0.0905% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97  10.69 +/- 2.48   0.327% *  0.1609% (0.61  1.00   0.02   0.43) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.14 +/- 0.89   0.543% *  0.0525% (0.20  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   PHE   97  14.39 +/- 1.00   0.013% *  0.2509% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.53 +/- 0.98   0.005% *  0.0465% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.34, support = 1.64, residual support = 4.84:
        T QD2   LEU   40 - HB3   PHE   97   3.81 +/- 0.97  38.749% * 76.1139% (0.36 10.00   1.24   1.79) =  77.975%  kept
          HB2   LEU  104 - HB3   PHE   97   3.58 +/- 1.22  45.256% * 16.5062% (0.29  1.00   3.26  17.28) =  19.749%  kept
          QG2   ILE  103 - HB3   PHE   97   4.97 +/- 1.25  12.908% *  6.6364% (0.24  1.00   1.62   1.17) =   2.265%  kept
          QD1   ILE  119 - HB3   PHE   97  10.71 +/- 2.77   1.186% *  0.1990% (0.57  1.00   0.02   0.43) =   0.006%
          QD1   LEU   67 - HB3   PHE   97   7.00 +/- 1.54   1.365% *  0.1119% (0.32  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HB3   PHE   97   8.88 +/- 1.13   0.508% *  0.0649% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  14.33 +/- 1.17   0.015% *  0.3103% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.22 +/- 1.47   0.012% *  0.0574% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.09 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   2.56 +/- 0.17  99.996% * 99.8821% (0.87  10.0 10.00   2.74  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  17.17 +/- 6.38   0.003% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.37 +/- 2.53   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.29, residual support = 56.1:
          HN    ASP- 105 - HB3   PHE   97   3.26 +/- 0.90  99.989% * 99.0443% (0.46   5.29  56.05) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  21.20 +/- 3.52   0.005% *  0.6671% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.72 +/- 1.38   0.006% *  0.2886% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 3 structures by 0.18 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 +/- 0.46  99.964% * 99.8692% (0.85  10.0   5.19  62.58) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.16 +/- 1.42   0.030% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.83 +/- 1.31   0.007% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.765, support = 2.04, residual support = 46.7:
          HB3   ASP- 105 - HB3   PHE   97   4.40 +/- 0.75  68.480% * 55.1195% (0.72  1.00   2.25  56.05) =  79.274%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.80 +/- 1.40  25.382% * 38.7738% (0.93  1.00   1.24  10.82) =  20.669%  kept
          HB    ILE  103 - HB3   PHE   97   7.69 +/- 1.33   5.774% *  0.4398% (0.65  1.00   0.02   1.17) =   0.053%
          HG3   PRO   68 - HB3   PHE   97  14.86 +/- 2.46   0.139% *  0.4142% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB3   PHE   97  14.19 +/- 1.19   0.060% *  0.4650% (0.69  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  18.30 +/- 2.07   0.016% *  1.4256% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  15.30 +/- 1.02   0.036% *  0.5554% (0.82  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.69 +/- 1.56   0.034% *  0.5554% (0.82  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.54 +/- 1.16   0.052% *  0.3369% (0.50  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.02 +/- 0.95   0.017% *  0.2403% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.02 +/- 1.59   0.004% *  0.4650% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  22.51 +/- 1.73   0.003% *  0.6180% (0.91  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  22.58 +/- 1.15   0.003% *  0.5911% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 2 structures by 0.20 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.332, support = 3.76, residual support = 25.0:
          HG12  ILE  103 - HA    LEU   98   4.08 +/- 1.23  64.200% * 50.4628% (0.25   4.45  27.42) =  80.157%  kept
          HB    VAL   41 - HA    LEU   98   5.52 +/- 1.11  16.258% * 25.6123% (0.38   1.50  26.65) =  10.303%  kept
          QB    LYS+ 102 - HA    LEU   98   5.09 +/- 0.41  18.989% * 20.2801% (0.98   0.45   2.65) =   9.528%  kept
          HB2   LEU   71 - HA    LEU   98   9.57 +/- 0.63   0.489% *  0.9079% (1.00   0.02   0.02) =   0.011%
          QB    LYS+  66 - HA    LEU   98  15.00 +/- 1.47   0.037% *  0.5151% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.58 +/- 0.98   0.012% *  0.9099% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.64 +/- 0.74   0.008% *  0.7600% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.17 +/- 1.34   0.007% *  0.5519% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 2.94, residual support = 27.2:
          HA    ILE  103 - HA    LEU   98   2.53 +/- 0.84  94.303% * 82.2353% (0.73   2.96  27.42) =  99.087%  kept
          HA    LEU  104 - HA    LEU   98   5.47 +/- 1.02   5.567% * 12.8284% (0.28   1.20   6.17) =   0.912%  kept
          HA    THR   39 - HA    LEU   98  10.06 +/- 0.58   0.113% *  0.2130% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  11.59 +/- 0.70   0.014% *  0.6869% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.74 +/- 1.68   0.001% *  0.4955% (0.65   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  20.74 +/- 4.66   0.001% *  0.5562% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.52 +/- 1.51   0.001% *  0.6398% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  22.93 +/- 3.38   0.000% *  0.6398% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  25.58 +/- 2.74   0.000% *  0.5854% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.34 +/- 2.95   0.000% *  0.7071% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  24.40 +/- 1.29   0.000% *  0.2613% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.58 +/- 2.15   0.000% *  0.1516% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.05 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 0.618:
          HN    ASP- 105 - HA    LEU   98   5.35 +/- 0.92  99.939% * 71.5947% (0.95   0.02   0.62) =  99.976%  kept
          HN    ALA   88 - HA    LEU   98  20.78 +/- 3.79   0.061% * 28.4053% (0.38   0.02   0.02) =   0.024%
    Distance limit 3.86 A violated in 16 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 = 4.37, residual support = 18.5:
      O   HN    LYS+  99 - HA    LEU   98   2.29 +/- 0.10  99.559% * 99.7964% (0.80  10.0   4.37  18.51) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  12.81 +/- 4.61   0.436% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  12.21 +/- 0.82   0.005% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.75 +/- 1.85   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 = 2.64, residual support = 6.17:
          HN    LEU  104 - HA    LEU   98   3.43 +/- 0.94  99.756% * 99.5056% (0.92   2.64   6.17) =  99.999%  kept
          HN    PHE   72 - HA    LEU   98  12.37 +/- 0.69   0.244% *  0.4944% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 3 structures by 0.37 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 82.9:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.21  82.87) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.437, support = 3.45, residual support = 26.7:
        T HB    VAL   41 - QB    LEU   98   3.09 +/- 1.76  62.602% * 73.3545% (0.42 10.00   3.44  26.65) =  87.901%  kept
          HG12  ILE  103 - QB    LEU   98   3.48 +/- 1.33  34.944% * 17.6542% (0.56  1.00   3.62  27.42) =  11.809%  kept
          HB    ILE  103 - QB    LEU   98   5.17 +/- 1.04   2.133% *  7.0642% (0.60  1.00   1.36  27.42) =   0.288%
        T QB    LYS+ 106 - QB    LEU   98   7.57 +/- 1.04   0.134% *  0.4651% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.68 +/- 0.95   0.018% *  0.7335% (0.42 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  15.88 +/- 2.25   0.087% *  0.1094% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.62 +/- 0.89   0.071% *  0.0914% (0.53  1.00   0.02   0.62) =   0.000%
          QB    LYS+  66 - QB    LEU   98  14.05 +/- 1.24   0.008% *  0.0465% (0.27  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.84 +/- 3.41   0.002% *  0.1352% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.29 +/- 1.84   0.001% *  0.1352% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  19.03 +/- 2.19   0.001% *  0.0514% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.66 +/- 1.57   0.000% *  0.0975% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  20.50 +/- 1.67   0.000% *  0.0620% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 4.0, residual support = 18.5:
          HN    LYS+  99 - QB    LEU   98   3.04 +/- 0.31  99.695% * 97.4496% (0.27   4.00  18.51) =  99.997%  kept
          HN    ASN   35 - QB    LEU   98   9.31 +/- 1.24   0.182% *  1.3197% (0.72   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    LEU   98  12.48 +/- 4.10   0.121% *  0.3940% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    LEU   98  18.63 +/- 1.59   0.002% *  0.2438% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.95 +/- 2.37   0.001% *  0.5930% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.92, residual support = 26.7:
          HN    VAL   41 - QB    LEU   98   3.55 +/- 0.98 100.000% *100.0000% (0.85   2.92  26.65) = 100.000%  kept
    Distance limit 3.92 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.13, residual support = 82.9:
      O   HN    LEU   98 - QB    LEU   98   2.79 +/- 0.24 100.000% *100.0000% (0.85  10.0   5.13  82.87) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 82.9:
      O   HA    LEU   98 - HG    LEU   98   3.28 +/- 0.38 100.000% *100.0000% (0.69  10.0   4.04  82.87) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.03, residual support = 82.9:
          HN    LEU   98 - HG    LEU   98   3.00 +/- 0.69 100.000% *100.0000% (0.98   4.03  82.87) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.297, support = 3.89, residual support = 25.5:
        T HA    ILE  103 - QD1   LEU   98   2.68 +/- 0.56  95.839% * 28.7144% (0.25 10.00   4.12  27.42) =  90.824%  kept
        T HA    LEU  104 - QD1   LEU   98   6.02 +/- 1.09   3.929% * 70.7642% (0.76 10.00   1.61   6.17) =   9.175%  kept
          HA    ASP-  44 - QD1   LEU   98   9.00 +/- 1.80   0.208% *  0.0473% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  15.12 +/- 4.01   0.012% *  0.1149% (1.00  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  15.52 +/- 2.31   0.006% *  0.0393% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.85 +/- 1.66   0.001% *  0.1149% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  17.07 +/- 3.09   0.004% *  0.0393% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.20 +/- 2.49   0.001% *  0.1141% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.36 +/- 2.81   0.000% *  0.0516% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.756, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  10.62 +/- 2.37  44.332% * 33.8723% (0.84   0.02   0.02) =  52.077%  kept
          QD    PHE   59 - QD1   LEU   98  12.25 +/- 2.42  22.294% * 33.8723% (0.84   0.02   0.02) =  26.188%  kept
          HE21  GLN   30 - QD1   LEU   98  11.18 +/- 1.22  28.935% * 19.7390% (0.49   0.02   0.02) =  19.808%  kept
          HH2   TRP   49 - QD1   LEU   98  19.32 +/- 3.30   4.440% * 12.5164% (0.31   0.02   0.02) =   1.927%  kept
    Distance limit 3.50 A violated in 20 structures by 5.33 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 = 16.9:
        T QD1   LEU  104 - HB2   LYS+  99   2.92 +/- 1.94  98.051% * 98.4796% (0.69 10.00   3.05  16.88) =  99.995%  kept
        T QD1   LEU   73 - HB2   LYS+  99  11.42 +/- 0.93   0.991% *  0.2212% (0.15 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HB2   LYS+  99  12.04 +/- 1.17   0.630% *  0.2212% (0.15 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HB2   LYS+  99  18.99 +/- 2.22   0.069% *  0.8117% (0.57 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LYS+  99  18.49 +/- 3.68   0.093% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.88 +/- 1.95   0.110% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  18.19 +/- 2.50   0.057% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 3 structures by 0.60 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.943, support = 2.48, residual support = 11.9:
        T QD2   LEU   40 - HB2   LYS+  99   3.74 +/- 0.94  88.230% * 95.4017% (0.95 10.00   2.48  11.90) =  99.734%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.91 +/- 0.88   5.350% *  2.8705% (1.00  1.00   0.57   0.02) =   0.182%
          QD1   ILE  103 - HB2   LYS+  99   7.96 +/- 1.37   4.965% *  1.4003% (0.49  1.00   0.57   0.02) =   0.082%
          QD1   LEU   67 - HB2   LYS+  99   9.20 +/- 1.74   1.121% *  0.0973% (0.97  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LYS+  99  10.79 +/- 0.91   0.257% *  0.0612% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  14.90 +/- 2.85   0.060% *  0.0311% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.54 +/- 1.11   0.005% *  0.1000% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  18.20 +/- 0.93   0.011% *  0.0379% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 4 structures by 0.45 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.82, residual support = 173.1:
      O   HN    LYS+  99 - HB2   LYS+  99   2.95 +/- 0.33  99.844% * 99.4797% (0.31  10.0   4.82 173.09) = 100.000%  kept
          HE1   HIS  122 - HB2   LYS+  99  12.96 +/- 4.03   0.124% *  0.0804% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   LYS+  99  12.27 +/- 1.13   0.031% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.05 +/- 1.86   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.86 +/- 2.57   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.21, residual support = 173.1:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  99.746% * 99.7964% (0.80  10.0   5.21 173.09) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  13.60 +/- 4.39   0.170% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.90 +/- 1.66   0.083% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.44 +/- 1.90   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 40.0:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  39.97) = 100.000%  kept
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.826, support = 5.12, residual support = 183.4:
      O   QE    LYS+  99 - HG2   LYS+  99   2.60 +/- 0.51  47.082% * 79.1619% (0.99  10.0   5.28 173.09) =  77.478%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.54 +/- 0.48  52.615% * 20.5905% (0.26  10.0   4.58 219.04) =  22.521%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.45 +/- 1.25   0.156% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.04 +/- 0.98   0.041% *  0.0610% (0.76   1.0   0.02   1.93) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.54 +/- 1.67   0.078% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.34 +/- 0.58   0.021% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.68 +/- 1.57   0.004% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.92 +/- 1.52   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.02 +/- 0.92   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  18.08 +/- 0.72   0.001% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.07, residual support = 173.1:
      O T HA    LYS+  99 - HG2   LYS+  99   2.69 +/- 0.34  79.402% * 98.9579% (0.84  10.0 10.00   7.07 173.09) =  99.987%  kept
          HA    LEU   40 - HG2   LYS+  99   4.23 +/- 1.29   9.430% *  0.0671% (0.57   1.0  1.00   0.02  11.90) =   0.008%
          HA    ASN   35 - HG2   LYS+  38   4.33 +/- 1.24  10.752% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG2   LYS+  38   8.66 +/- 1.21   0.118% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   9.20 +/- 1.36   0.074% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   7.88 +/- 0.62   0.209% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  17.14 +/- 6.05   0.006% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.61 +/- 1.94   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.30 +/- 2.32   0.004% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.41 +/- 1.84   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.37 +/- 1.91   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.90 +/- 2.62   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.92 +/- 5.34   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.38 +/- 1.80   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.35 +/- 1.81   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.72 +/- 1.68   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.79 +/- 1.52   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  31.19 +/- 1.61   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0961, support = 5.07, residual support = 12.1:
          HA    SER   37 - HA    LYS+  38   5.19 +/- 0.03  38.458% * 43.6278% (0.05  1.00   5.58  13.34) =  90.559%  kept
          HA    LEU   40 - HA    GLU- 100   5.64 +/- 1.92  45.253% *  2.7110% (0.80  1.00   0.02   0.02) =   6.622%  kept
          HA    LEU   40 - HA    LYS+  38   6.09 +/- 0.05  14.455% *  3.4010% (0.05  1.00   0.42   0.02) =   2.653%  kept
          HA    SER   37 - HA    GLU- 100   9.94 +/- 2.08   0.962% *  2.5874% (0.76  1.00   0.02   0.02) =   0.134%
          HA    VAL   42 - HA    GLU- 100  11.05 +/- 1.43   0.412% *  0.7538% (0.22  1.00   0.02   0.02) =   0.017%
          HA    GLU-  15 - HA    GLU- 100  17.82 +/- 2.49   0.027% *  3.2027% (0.95  1.00   0.02   0.02) =   0.005%
        T HA    PRO   58 - HA    GLU- 100  25.93 +/- 2.14   0.002% * 31.2535% (0.92 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - HA    GLU- 100  20.57 +/- 2.11   0.010% *  2.5874% (0.76  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    GLU- 100  21.98 +/- 2.80   0.007% *  3.2027% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  20.98 +/- 5.82   0.022% *  0.6700% (0.20  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  15.19 +/- 1.45   0.070% *  0.1935% (0.06  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.92 +/- 1.46   0.004% *  2.8279% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.08 +/- 0.19   0.244% *  0.0455% (0.01  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  18.31 +/- 2.14   0.026% *  0.1935% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  26.11 +/- 1.33   0.002% *  1.8885% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.96 +/- 1.46   0.018% *  0.1563% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.87 +/- 2.14   0.002% *  0.4582% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  21.87 +/- 5.82   0.019% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.80 +/- 0.57   0.003% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  27.92 +/- 1.45   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 6 structures by 0.81 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.25 +/- 0.33  98.978% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   7.64 +/- 1.67   1.022% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.8:
      O   HN    GLU- 100 - HA    GLU- 100   2.21 +/- 0.08  99.273% * 99.9940% (0.84  10.0   6.39  75.82) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.60 +/- 1.84   0.727% *  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 = 0.779, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  13.91 +/- 1.61  10.992% * 28.3278% (1.00 10.00   0.02   0.02) =  48.098%  kept
        T HA    GLN   32 - HB2   GLU- 100  13.04 +/- 1.62  18.056% *  8.7627% (0.31 10.00   0.02   0.02) =  24.440%  kept
        T HA    GLU-  29 - HB2   GLU- 100  17.73 +/- 1.70   2.647% * 27.8286% (0.98 10.00   0.02   0.02) =  11.378%  kept
          HA    VAL   70 - HB2   GLU- 100  11.99 +/- 1.21  27.716% *  2.3714% (0.84  1.00   0.02   0.02) =  10.153%  kept
          HB2   SER   37 - HB2   GLU- 100  11.36 +/- 1.50  37.949% *  0.5618% (0.20  1.00   0.02   0.02) =   3.294%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.84 +/- 2.63   0.516% * 23.7140% (0.84 10.00   0.02   0.02) =   1.891%  kept
          HA    VAL   18 - HB2   GLU- 100  19.91 +/- 1.15   1.326% *  2.7399% (0.97  1.00   0.02   0.02) =   0.561%  kept
          HB2   SER   82 - HB2   GLU- 100  28.25 +/- 3.90   0.246% *  2.6208% (0.92  1.00   0.02   0.02) =   0.100%
          HA    SER   48 - HB2   GLU- 100  30.68 +/- 2.10   0.146% *  1.6074% (0.57  1.00   0.02   0.02) =   0.036%
          HA    ALA   88 - HB2   GLU- 100  28.29 +/- 3.60   0.233% *  0.9684% (0.34  1.00   0.02   0.02) =   0.035%
          HD2   PRO   52 - HB2   GLU- 100  30.70 +/- 2.43   0.173% *  0.4972% (0.18  1.00   0.02   0.02) =   0.013%
    Distance limit 3.34 A violated in 20 structures by 6.26 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 5.29, residual support = 39.9:
          HG2   LYS+  99 - HG2   GLU- 100   4.00 +/- 0.82  65.208% * 97.5057% (0.45   5.30  39.97) =  99.747%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.57 +/- 2.39  34.739% *  0.4647% (0.57   0.02   0.02) =   0.253%
          HB2   LEU   31 - HG2   GLU- 100  13.15 +/- 2.11   0.048% *  0.1437% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.24 +/- 1.28   0.002% *  0.8045% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  24.66 +/- 3.01   0.001% *  0.7361% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  21.23 +/- 1.75   0.002% *  0.1624% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.98 +/- 3.03   0.000% *  0.1827% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 6 structures by 0.71 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.1, residual support = 39.9:
          HG2   LYS+  99 - HG3   GLU- 100   3.02 +/- 1.24  83.107% * 96.7999% (0.45   4.10  39.97) =  99.875%  kept
          HG2   LYS+  38 - HG3   GLU- 100   6.37 +/- 2.25  16.862% *  0.5962% (0.57   0.02   0.02) =   0.125%
          HB2   LEU   31 - HG3   GLU- 100  13.08 +/- 1.93   0.028% *  0.1844% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.58 +/- 1.20   0.001% *  1.0322% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  24.07 +/- 2.97   0.000% *  0.9444% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.01 +/- 1.60   0.001% *  0.2084% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.87 +/- 3.34   0.000% *  0.2344% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 3 structures by 0.38 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.8:
      O   HA    GLU- 100 - HG3   GLU- 100   2.91 +/- 0.48  91.688% * 99.7364% (1.00  10.0   4.46  75.82) =  99.998%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.65 +/- 2.17   8.312% *  0.0198% (0.20   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   GLU- 100  24.79 +/- 4.32   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.64 +/- 1.86   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  28.52 +/- 1.42   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.32, residual support = 75.8:
          HN    GLU- 100 - HG3   GLU- 100   3.02 +/- 0.48 100.000% *100.0000% (0.97   4.32  75.82) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.5, residual support = 75.8:
          HN    GLU- 100 - HG2   GLU- 100   3.54 +/- 0.56 100.000% *100.0000% (0.84   6.50  75.82) = 100.000%  kept
    Distance limit 4.08 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 = 159.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.09  99.394% * 99.6342% (1.00  10.0   4.65 159.18) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.61 +/- 1.91   0.457% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.17 +/- 0.34   0.100% *  0.0272% (0.27   1.0   0.02   0.11) =   0.000%
          HN    GLU-  36 - HB    VAL   41  10.26 +/- 0.47   0.026% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.59 +/- 1.23   0.014% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.96 +/- 1.34   0.005% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  16.11 +/- 4.05   0.003% *  0.0290% (0.29   1.0   0.02   0.11) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  19.24 +/- 4.02   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 22.5:
          HN    ILE  103 - QB    LYS+ 102   3.18 +/- 0.47  99.663% * 98.9457% (1.00   5.45  22.47) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   9.05 +/- 1.75   0.323% *  0.1630% (0.45   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  18.39 +/- 0.74   0.003% *  0.1909% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  22.69 +/- 2.21   0.001% *  0.3432% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.89 +/- 1.03   0.004% *  0.0858% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  20.47 +/- 1.88   0.002% *  0.1542% (0.43   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  19.94 +/- 2.85   0.003% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  24.31 +/- 3.00   0.001% *  0.0808% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.64 +/- 0.52  98.201% * 99.2115% (0.73   4.42 159.18) =  99.996%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.45 +/- 1.81   1.715% *  0.2322% (0.38   0.02   0.02) =   0.004%
          HN    GLU-  36 - HG2   LYS+ 102  15.58 +/- 1.98   0.023% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.22 +/- 1.52   0.057% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  22.07 +/- 4.66   0.004% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.574, support = 0.0199, residual support = 0.0199:
        T QB    SER  117 - HA    ILE  103  14.44 +/- 1.74  11.182% *  7.5887% (0.34 10.00   0.02   0.02) =  33.360%  kept
          HB    THR   94 - HA    ILE  103  13.03 +/- 1.01  19.690% *  1.7002% (0.76  1.00   0.02   0.02) =  13.161%  kept
        T QB    SER   85 - HA    ILE  103  21.10 +/- 3.61   1.574% * 19.9520% (0.90 10.00   0.02   0.02) =  12.346%  kept
          HA    LYS+ 121 - HA    ILE  103  14.25 +/- 3.99  19.408% *  1.5282% (0.69  1.00   0.02   0.02) =  11.660%  kept
        T QB    SER   48 - HA    ILE  103  22.71 +/- 2.44   0.940% * 19.2979% (0.87 10.00   0.02   0.02) =   7.131%  kept
          HA2   GLY   16 - HA    THR   39  13.45 +/- 2.33  22.652% *  0.6592% (0.30  1.00   0.02   0.02) =   5.870%  kept
          HA    ALA  120 - HA    ILE  103  17.39 +/- 3.73   4.670% *  2.2050% (0.99  1.00   0.02   0.02) =   4.049%  kept
        T HA2   GLY   51 - HA    ILE  103  26.37 +/- 2.45   0.369% * 13.4936% (0.61 10.00   0.02   0.02) =   1.958%  kept
        T HD2   PRO   52 - HA    ILE  103  23.49 +/- 2.51   0.843% *  5.5474% (0.25 10.00   0.02   0.02) =   1.838%  kept
          HA    LYS+  65 - HA    THR   39  15.72 +/- 0.99   6.067% *  0.6139% (0.28  1.00   0.02   0.02) =   1.464%  kept
        T QB    SER  117 - HA    THR   39  20.22 +/- 1.59   1.368% *  2.5072% (0.11 10.00   0.02   0.02) =   1.349%  kept
          HA    LYS+  65 - HA    ILE  103  20.06 +/- 1.44   1.515% *  1.8582% (0.84  1.00   0.02   0.02) =   1.107%  kept
          HA2   GLY   16 - HA    ILE  103  20.75 +/- 2.14   1.265% *  1.9952% (0.90  1.00   0.02   0.02) =   0.992%  kept
        T QB    SER   85 - HA    THR   39  26.10 +/- 3.10   0.359% *  6.5917% (0.30 10.00   0.02   0.02) =   0.932%  kept
          HA    ALA  120 - HA    THR   39  19.58 +/- 4.32   2.720% *  0.7285% (0.33  1.00   0.02   0.02) =   0.779%  kept
        T QB    SER   48 - HA    THR   39  26.08 +/- 0.88   0.290% *  6.3756% (0.29 10.00   0.02   0.02) =   0.728%  kept
          HA    LYS+ 121 - HA    THR   39  18.00 +/- 3.44   3.511% *  0.5049% (0.23  1.00   0.02   0.02) =   0.697%  kept
          HB    THR   94 - HA    THR   39  20.37 +/- 0.99   1.314% *  0.5617% (0.25  1.00   0.02   0.02) =   0.290%
        T HA2   GLY   51 - HA    THR   39  31.21 +/- 1.21   0.100% *  4.4580% (0.20 10.00   0.02   0.02) =   0.174%
        T HD2   PRO   52 - HA    THR   39  29.05 +/- 1.70   0.161% *  1.8327% (0.08 10.00   0.02   0.02) =   0.116%
    Distance limit 3.08 A violated in 20 structures by 6.61 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.01, residual support = 37.0:
      O   HN    LEU  104 - HA    ILE  103   2.33 +/- 0.14  99.970% * 99.8797% (0.92  10.0   6.01  37.00) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.72 +/- 0.63   0.024% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.27 +/- 0.84   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.65 +/- 0.87   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.81, residual support = 37.9:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  95.625% * 72.8887% (0.33  10.0   3.81  38.09) =  98.486%  kept
          HN    LYS+ 102 - HA    ILE  103   4.86 +/- 0.21   4.113% * 26.0519% (0.65   1.0   3.62  22.47) =   1.514%  kept
          HN    GLU-  36 - HA    THR   39   8.17 +/- 0.22   0.178% *  0.0614% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.22 +/- 1.27   0.059% *  0.0476% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.26 +/- 0.57   0.010% *  0.2206% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  17.53 +/- 4.38   0.004% *  0.2221% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.07 +/- 0.90   0.003% *  0.1859% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.20 +/- 1.69   0.002% *  0.1083% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.87 +/- 0.50   0.002% *  0.0358% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  19.09 +/- 1.44   0.001% *  0.0343% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.56 +/- 1.87   0.001% *  0.0441% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.90 +/- 4.04   0.000% *  0.0734% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.42 +/- 1.17   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.56 +/- 1.47   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.12, residual support = 27.4:
        T QD1   LEU   98 - HA    ILE  103   2.68 +/- 0.56  99.873% * 99.6453% (0.41 10.00   4.12  27.42) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  10.73 +/- 0.63   0.043% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39   9.99 +/- 0.79   0.076% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.57 +/- 0.86   0.007% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.407, support = 2.27, residual support = 4.2:
          HN    ASP- 105 - QG2   ILE  103   3.52 +/- 0.42  96.262% * 27.0759% (0.38   2.19   2.36) =  90.887%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.33 +/- 0.22   3.613% * 72.3326% (0.73   3.03  22.47) =   9.112%  kept
          HD1   TRP   87 - QG2   ILE  103  14.04 +/- 3.75   0.076% *  0.1302% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE  103  15.84 +/- 0.63   0.014% *  0.3461% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.52 +/- 0.41   0.035% *  0.1152% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.32, residual support = 37.0:
          HN    LEU  104 - QG2   ILE  103   2.46 +/- 0.56  99.990% * 99.9382% (0.90   6.32  37.00) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.38 +/- 0.72   0.010% *  0.0618% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 135.8:
      O   HN    ILE  103 - HB    ILE  103   2.18 +/- 0.23  99.999% * 99.8308% (1.00  10.0   6.74 135.77) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  16.12 +/- 1.41   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  20.83 +/- 2.70   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  23.92 +/- 3.74   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 135.8:
      O T HA    ILE  103 - HG12  ILE  103   2.52 +/- 0.26  99.612% * 97.9216% (0.20  10.0 10.00   5.98 135.77) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.52 +/- 0.17   0.375% *  0.3001% (0.61   1.0  1.00   0.02  37.00) =   0.001%
          HA    ASP-  44 - HG12  ILE  103  12.11 +/- 1.79   0.010% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  18.55 +/- 5.44   0.002% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  20.92 +/- 4.34   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  19.54 +/- 2.64   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.71 +/- 2.07   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.57 +/- 2.86   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.17 +/- 3.23   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 = 6.93, residual support = 135.8:
          HN    ILE  103 - HG12  ILE  103   2.96 +/- 0.29  99.992% * 99.5133% (0.80   6.93 135.77) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  16.01 +/- 1.60   0.005% *  0.1511% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  19.89 +/- 2.85   0.002% *  0.2717% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  22.16 +/- 3.86   0.001% *  0.0639% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.26, residual support = 135.8:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.991% * 99.2748% (0.58  10.0 10.00   4.26 135.77) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.94 +/- 1.15   0.007% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.56 +/- 1.22   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  12.07 +/- 0.78   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  22.80 +/- 1.20   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  23.40 +/- 1.68   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.457, support = 4.73, residual support = 135.8:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.01  91.218% * 32.5765% (0.39  10.0 10.00   4.62 135.77) =  83.682%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.18 +/- 0.11   8.678% * 66.7776% (0.80  10.0 10.00   5.32 135.77) =  16.318%  kept
          QD2   LEU   40 - HG12  ILE  103   7.08 +/- 1.01   0.098% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.45 +/- 1.01   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  12.33 +/- 1.68   0.003% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  15.07 +/- 2.13   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  16.33 +/- 2.77   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  19.35 +/- 1.56   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 = 5.4, residual support = 27.4:
          QD1   LEU   98 - HG12  ILE  103   2.41 +/- 0.84  99.995% * 99.7336% (0.72   5.40  27.42) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.71 +/- 1.29   0.005% *  0.2664% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 4.03, residual support = 135.8:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.02  66.900% * 82.5087% (0.84  10.0   3.97 135.77) =  90.602%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.42 +/- 0.15  33.098% * 17.2996% (0.18  10.0   4.66 135.77) =   9.398%  kept
          QD2   LEU   71 - HG13  ILE  103  13.41 +/- 0.79   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.43 +/- 2.57   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.49 +/- 1.29   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 = 2.34, residual support = 27.4:
          QD1   LEU   98 - HG13  ILE  103   2.62 +/- 0.79  99.990% * 99.3879% (0.90   2.34  27.42) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.49 +/- 1.11   0.010% *  0.6121% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.59, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  12.16 +/- 2.43  41.906% * 17.5479% (0.45   0.02   0.02) =  34.684%  kept
          QD    PHE   59 - QD1   ILE  103  12.77 +/- 1.92  32.010% * 17.5479% (0.45   0.02   0.02) =  26.493%  kept
          HE21  GLN   30 - QD1   ILE  103  13.92 +/- 1.98  18.034% * 30.1124% (0.77   0.02   0.02) =  25.613%  kept
          HH2   TRP   49 - QD1   ILE  103  18.34 +/- 3.76   8.050% * 34.7918% (0.89   0.02   0.02) =  13.210%  kept
    Distance limit 3.95 A violated in 19 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.555, support = 0.02, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103  10.76 +/- 5.32  63.369% * 16.9137% (0.52   0.02   0.02) =  63.346%  kept
          HD21  ASN   69 - QD1   ILE  103  15.36 +/- 1.90  10.958% * 20.5212% (0.63   0.02   0.02) =  13.291%  kept
          HN    TRP   87 - QD1   ILE  103  13.39 +/- 4.16  10.059% * 21.6935% (0.67   0.02   0.02) =  12.896%  kept
          HN    GLN   17 - QD1   ILE  103  18.17 +/- 1.39   3.348% * 25.9142% (0.80   0.02   0.02) =   5.128%  kept
          HN    ALA   91 - QD1   ILE  103  15.20 +/- 2.27   6.975% *  6.6512% (0.21   0.02   0.02) =   2.742%  kept
          HN    ALA   61 - QD1   ILE  103  16.82 +/- 1.36   5.291% *  8.3063% (0.26   0.02   0.02) =   2.598%  kept
    Distance limit 3.61 A violated in 20 structures by 5.16 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.69, residual support = 135.8:
          HN    ILE  103 - QD1   ILE  103   3.61 +/- 0.52  99.847% * 99.4083% (0.92   5.69 135.77) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  12.31 +/- 1.52   0.106% *  0.1837% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  15.49 +/- 2.59   0.032% *  0.3303% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  17.99 +/- 3.42   0.015% *  0.0777% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.3, residual support = 135.8:
      O   HA    ILE  103 - HG13  ILE  103   2.67 +/- 0.42  99.278% * 99.0827% (0.73  10.0   5.30 135.77) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.29 +/- 0.50   0.668% *  0.0379% (0.28   1.0   0.02  37.00) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.98 +/- 1.60   0.041% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.96 +/- 1.12   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  18.19 +/- 5.02   0.002% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  18.60 +/- 2.47   0.001% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  20.28 +/- 3.95   0.001% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.56 +/- 1.85   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.82 +/- 2.99   0.001% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  23.35 +/- 2.32   0.000% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.66 +/- 2.72   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.37 +/- 3.15   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 135.8:
          HN    ILE  103 - HG13  ILE  103   3.99 +/- 0.20  99.929% * 99.4483% (1.00   6.11 135.77) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  14.54 +/- 1.60   0.053% *  0.1713% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  18.90 +/- 2.61   0.011% *  0.3080% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  21.67 +/- 3.51   0.007% *  0.0725% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.24, residual support = 135.8:
          HN    ILE  103 - QG2   ILE  103   3.55 +/- 0.16  99.893% * 99.2242% (0.69   6.24 135.77) = 100.000%  kept
          HN    GLY  109 - QG2   ILE  103  11.78 +/- 1.04   0.092% *  0.4471% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  16.51 +/- 2.04   0.013% *  0.2255% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.68 +/- 0.82   0.002% *  0.1032% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.5:
          HA    LYS+ 102 - HB    ILE  103   4.37 +/- 0.14  99.957% * 98.7664% (0.38   4.78  22.47) = 100.000%  kept
          HA    LEU   71 - HB    ILE  103  16.55 +/- 0.70   0.036% *  0.2178% (0.20   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    ILE  103  21.52 +/- 1.16   0.007% *  1.0158% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.818, support = 4.66, residual support = 17.2:
        T HB2   PHE   97 - HB2   LEU  104   3.34 +/- 0.71  88.383% * 96.0463% (0.82 10.00   4.68  17.28) =  99.654%  kept
          QE    LYS+ 106 - HB2   LEU  104   6.43 +/- 1.12   7.809% *  3.7609% (0.78  1.00   0.83   0.02) =   0.345%
          QE    LYS+  99 - HB2   LEU  104   6.66 +/- 1.45   3.786% *  0.0253% (0.22  1.00   0.02  16.88) =   0.001%
          HB3   TRP   27 - HB2   LEU  104  17.79 +/- 2.09   0.009% *  0.0937% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   LEU  104  15.59 +/- 2.17   0.012% *  0.0737% (0.63  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.39, residual support = 40.7:
          HN    ASP- 105 - HB2   LEU  104   2.31 +/- 0.56  99.999% * 99.8759% (0.82   6.39  40.75) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  22.81 +/- 3.78   0.001% *  0.1241% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 219.1:
      O   HN    LEU  104 - HB2   LEU  104   2.73 +/- 0.35  99.989% * 99.7579% (0.36  10.0   7.38 219.12) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.40 +/- 1.10   0.011% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 219.1:
      O   HN    LEU  104 - HB3   LEU  104   3.68 +/- 0.23  99.971% * 99.9343% (0.71  10.0   6.88 219.12) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.71 +/- 1.23   0.029% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.44, residual support = 219.1:
          HN    LEU  104 - HG    LEU  104   3.24 +/- 0.44  99.978% * 99.8238% (0.92   7.44 219.12) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.87 +/- 1.54   0.022% *  0.1762% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 1.5, residual support = 16.9:
          HN    LYS+  99 - HG    LEU  104   4.18 +/- 1.57  93.184% * 96.3289% (0.98   1.50  16.88) =  99.903%  kept
          HE1   HIS  122 - HG    LEU  104  11.80 +/- 4.57   6.519% *  1.3074% (1.00   0.02   0.02) =   0.095%
          HN    GLN   30 - HG    LEU  104  18.01 +/- 1.85   0.132% *  0.5875% (0.45   0.02   0.02) =   0.001%
          HN    ASP-  86 - HG    LEU  104  23.53 +/- 4.52   0.157% *  0.4918% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HG    LEU  104  22.90 +/- 2.58   0.008% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 5 structures by 0.66 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.389, support = 6.79, residual support = 212.6:
          HN    LEU  104 - QD1   LEU  104   3.76 +/- 0.84  85.703% * 77.5800% (0.40   6.88 219.12) =  96.370%  kept
          HN    PHE   72 - QD1   LEU   73   5.72 +/- 0.41  11.531% * 21.6889% (0.18   4.30  39.85) =   3.625%  kept
          HN    PHE   72 - QD1   LEU   63   8.12 +/- 1.17   1.946% *  0.1008% (0.18   0.02  18.64) =   0.003%
          HN    PHE   72 - QD1   LEU  104  11.05 +/- 1.32   0.254% *  0.5473% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63  10.39 +/- 1.56   0.409% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.63 +/- 0.91   0.158% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 3.05, residual support = 16.9:
        T HB2   LYS+  99 - QD1   LEU  104   2.92 +/- 1.94  86.063% * 97.1108% (0.40 10.00   3.05  16.88) =  99.928%  kept
        T HB    VAL   43 - QD1   LEU  104   9.99 +/- 1.62   4.649% *  1.2428% (0.51 10.00   0.02   0.02) =   0.069%
          HB    VAL   43 - QD1   LEU   73   5.68 +/- 0.96   8.370% *  0.0229% (0.09  1.00   0.02   7.84) =   0.002%
        T HB    ILE   89 - QD1   LEU  104  19.15 +/- 3.51   0.044% *  1.0590% (0.43 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QD1   LEU   73  11.42 +/- 0.93   0.093% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.81 +/- 1.73   0.600% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  12.04 +/- 1.17   0.057% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  13.56 +/- 1.76   0.048% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.88 +/- 0.76   0.034% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  15.57 +/- 2.13   0.028% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.74 +/- 1.97   0.004% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.19 +/- 1.66   0.010% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 3 structures by 0.70 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.882, support = 2.14, residual support = 17.4:
          HB2   LYS+  99 - QD2   LEU  104   3.59 +/- 2.05  81.843% * 81.6654% (0.90  1.00   2.11  16.88) =  98.318%  kept
          HB3   GLN   17 - QG2   VAL   18   5.11 +/- 1.01  16.421% *  6.9013% (0.04  1.00   4.16  50.08) =   1.667%  kept
        T HB    VAL   43 - QD2   LEU  104  10.38 +/- 1.37   0.087% *  8.3493% (0.97 10.00   0.02   0.02) =   0.011%
        T HB    VAL   43 - QG1   VAL   41   7.46 +/- 0.41   0.331% *  0.4485% (0.05 10.00   0.02   1.73) =   0.002%
        T HB    VAL   43 - QG2   VAL   18  10.43 +/- 1.04   0.051% *  1.2830% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   6.51 +/- 1.04   1.245% *  0.0417% (0.05  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD2   LEU  104  21.95 +/- 2.09   0.001% *  0.7986% (0.92  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.35 +/- 1.06   0.004% *  0.1227% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  15.35 +/- 0.95   0.004% *  0.1192% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.87   0.002% *  0.2157% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.00 +/- 1.60   0.009% *  0.0116% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  18.17 +/- 1.14   0.002% *  0.0429% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.38, residual support = 42.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.855% * 98.4679% (0.72  10.0 10.00   3.38  42.74) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.34 +/- 0.40   0.137% *  0.1263% (0.93   1.0  1.00   0.02  21.79) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.84 +/- 0.70   0.008% *  0.0885% (0.65   1.0  1.00   0.02   2.36) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.06 +/- 1.21   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.43 +/- 1.55   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  16.98 +/- 2.27   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.12 +/- 1.49   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.27 +/- 1.29   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.66 +/- 1.40   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.76 +/- 1.95   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.51 +/- 1.54   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.45 +/- 1.33   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  23.96 +/- 1.98   0.000% *  0.1243% (0.91   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 = 1.61, residual support = 5.05:
        T QG2   THR  118 - HB2   ASP- 105   3.71 +/- 2.90 100.000% *100.0000% (0.54 10.00   1.61   5.05) = 100.000%  kept
    Distance limit 3.24 A violated in 5 structures by 1.19 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.61, residual support = 5.05:
        T QG2   THR  118 - HB3   ASP- 105   4.29 +/- 2.49 100.000% *100.0000% (0.57 10.00   1.61   5.05) = 100.000%  kept
    Distance limit 3.45 A violated in 4 structures by 1.11 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 4.5, residual support = 44.7:
          HB2   PHE   97 - HB2   ASP- 105   4.05 +/- 0.75  61.397% * 55.5470% (0.89   4.76  56.05) =  66.988%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.00 +/- 1.34  38.209% * 43.9850% (0.85   3.98  21.79) =  33.011%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.94 +/- 0.90   0.335% *  0.0615% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.56 +/- 1.77   0.054% *  0.1790% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.93 +/- 1.71   0.006% *  0.2276% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.82, support = 3.82, residual support = 52.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.65 +/- 0.87  79.733% * 67.7091% (0.87 10.00   3.83  56.05) =  89.529%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.51 +/- 1.27  19.674% * 32.0903% (0.41 10.00   3.75  21.79) =  10.470%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.05 +/- 1.22   0.424% *  0.0567% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  11.02 +/- 0.81   0.126% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.93 +/- 1.68   0.030% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.83 +/- 2.05   0.005% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.91 +/- 1.36   0.009% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.2, residual support = 42.7:
      O T HA    ASP- 105 - HB3   ASP- 105   2.91 +/- 0.17  99.999% * 99.8608% (0.87  10.0 10.00   3.20  42.74) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  24.76 +/- 2.58   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  25.43 +/- 1.78   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.36 +/- 1.81   0.000% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.67, residual support = 42.7:
      O   HN    ASP- 105 - HB3   ASP- 105   2.79 +/- 0.29  99.999% * 99.9603% (0.95  10.0   4.67  42.74) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  22.57 +/- 3.58   0.001% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 21.8:
          HN    LYS+ 106 - HB3   ASP- 105   3.90 +/- 0.33  99.655% * 99.5439% (0.18   3.85  21.79) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105  10.66 +/- 1.50   0.345% *  0.4561% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.83 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 = 56.1:
          QD    PHE   97 - HB2   ASP- 105   3.60 +/- 0.40  99.969% * 99.3204% (0.87   3.45  56.05) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  18.72 +/- 6.06   0.025% *  0.5408% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  23.84 +/- 3.10   0.006% *  0.1388% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.78, residual support = 42.7:
      O   HN    ASP- 105 - HB2   ASP- 105   3.48 +/- 0.34  99.998% * 99.9603% (0.89  10.0   4.78  42.74) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  22.05 +/- 3.46   0.002% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.82, residual support = 21.8:
          HN    LYS+ 106 - HB2   ASP- 105   2.99 +/- 0.45  99.839% * 99.5414% (0.17   3.82  21.79) =  99.999%  kept
          HN    VAL   41 - HB2   ASP- 105  11.38 +/- 1.46   0.161% *  0.4586% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.14:
        T HA    MET   96 - HA    LYS+ 106   3.42 +/- 1.06  99.444% * 99.9192% (0.87 10.00   1.07   2.14) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.02 +/- 0.74   0.556% *  0.0808% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 4 structures by 0.41 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.88, residual support = 10.8:
          QD    PHE   97 - HA    LYS+ 106   4.74 +/- 1.25  98.320% * 99.5709% (0.45   3.89  10.82) =  99.993%  kept
          HZ3   TRP   87 - HA    LYS+ 106  15.77 +/- 5.23   1.680% *  0.4291% (0.38   0.02   0.02) =   0.007%
    Distance limit 3.80 A violated in 9 structures by 1.06 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.97, residual support = 10.8:
          HN    PHE   97 - HA    LYS+ 106   4.00 +/- 1.11  98.553% * 99.1266% (0.90   2.97  10.82) =  99.992%  kept
          HN    LEU  115 - HA    LYS+ 106   9.58 +/- 0.64   1.140% *  0.6667% (0.90   0.02   0.02) =   0.008%
          HN    ASP- 113 - HA    LYS+ 106  13.09 +/- 0.65   0.308% *  0.2067% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 5 structures by 0.55 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 135.76) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.05  99.999% * 99.8992% (0.99  10.0   4.58  26.84) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.66 +/- 2.49   0.001% *  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 = 5.39, residual support = 135.8:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.24 +/- 0.16  99.874% * 99.9120% (0.18  10.0   5.39 135.76) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.33 +/- 1.11   0.126% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.18 +/- 0.16  99.972% * 99.6088% (0.99   5.14  26.84) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  16.59 +/- 2.51   0.028% *  0.3912% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 135.8:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.41 +/- 0.06  99.672% * 94.0497% (0.61  10.0 10.00   5.95 135.76) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.57 +/- 1.04   0.141% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+ 106   9.43 +/- 1.18   0.090% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  12.01 +/- 1.20   0.009% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.79 +/- 2.42   0.045% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.37 +/- 1.32   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.71 +/- 1.44   0.007% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.38 +/- 1.11   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.62 +/- 0.69   0.028% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.70 +/- 0.59   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.63 +/- 1.11   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.13 +/- 2.18   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.28 +/- 2.33   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 6.0:
          QG2   VAL  108 - QB    LYS+ 106   2.96 +/- 0.28  99.042% * 98.4940% (1.00   2.73   6.01) =  99.993%  kept
          HB2   LEU  104 - QB    LYS+ 106   6.90 +/- 0.46   0.818% *  0.7078% (0.98   0.02   0.02) =   0.006%
          QD1   ILE  119 - QB    LYS+ 106   9.92 +/- 1.16   0.126% *  0.5519% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.54 +/- 1.09   0.013% *  0.2463% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 4.57, residual support = 26.4:
          QG2   VAL  107 - QB    LYS+ 106   5.36 +/- 0.27  12.814% * 98.7147% (0.76   4.64  26.84) =  98.442%  kept
          QG2   THR   94 - QB    LYS+ 106   3.92 +/- 0.97  70.661% *  0.1548% (0.28   0.02   0.02) =   0.851%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.70 +/- 1.63  16.201% *  0.5555% (1.00   0.02   0.02) =   0.700%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.60 +/- 2.32   0.267% *  0.2929% (0.53   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - QB    LYS+ 106  13.89 +/- 0.59   0.032% *  0.1718% (0.31   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    LYS+ 106  15.25 +/- 0.92   0.025% *  0.1102% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.39, residual support = 107.0:
          HN    LYS+  81 - QG    LYS+  81   2.18 +/- 0.30  99.759% * 83.3775% (0.13   5.39 107.05) =  99.997%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.69 +/- 1.75   0.187% *  0.7979% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   27 - HG2   LYS+  33   9.57 +/- 1.52   0.023% *  2.2777% (0.98   0.02   0.02) =   0.001%
          HN    THR   23 - QG    LYS+  81   9.70 +/- 0.75   0.017% *  0.5853% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  13.45 +/- 1.91   0.004% *  1.0905% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.60 +/- 0.78   0.003% *  1.2225% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.56 +/- 1.99   0.002% *  1.3813% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.57 +/- 1.93   0.001% *  1.3331% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  15.21 +/- 1.76   0.002% *  0.6299% (0.27   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  18.23 +/- 2.04   0.000% *  1.3156% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.10 +/- 2.21   0.001% *  1.0524% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  17.53 +/- 1.27   0.001% *  0.4599% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  16.94 +/- 2.23   0.001% *  0.2789% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  21.22 +/- 1.77   0.000% *  0.7414% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.50 +/- 2.11   0.000% *  0.6461% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  22.56 +/- 2.20   0.000% *  0.3918% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.08 +/- 1.45   0.000% *  2.1981% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.97 +/- 0.72   0.000% *  0.2202% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.77, residual support = 1.54:
          HN    GLU-  79 - QG    LYS+  81   3.97 +/- 0.11  99.391% * 81.7031% (0.27   0.77   1.54) =  99.988%  kept
          HN    VAL   70 - HG2   LYS+  33  13.21 +/- 1.43   0.112% *  3.8106% (0.49   0.02   0.02) =   0.005%
          HN    THR   94 - HG2   LYS+ 106  10.53 +/- 0.82   0.326% *  0.9396% (0.12   0.02   0.02) =   0.004%
          HN    VAL   70 - HG2   LYS+ 106  16.63 +/- 2.25   0.058% *  2.3110% (0.30   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  13.13 +/- 1.30   0.096% *  0.7418% (0.09   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.58 +/- 1.04   0.005% *  4.4322% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  21.34 +/- 1.61   0.005% *  2.6880% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.74 +/- 1.45   0.006% *  1.5493% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.16 +/- 0.43   0.002% *  1.8244% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.8:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.27 +/- 0.21  99.968% * 99.8764% (0.18  10.0   5.66 135.76) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.70 +/- 1.23   0.026% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.70 +/- 1.29   0.005% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.25 +/- 0.76   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.5:
        T HB2   PHE   95 - HB    VAL  107   2.91 +/- 0.78 100.000% *100.0000% (0.69 10.00   4.31  45.49) = 100.000%  kept
    Distance limit 3.17 A violated in 3 structures by 0.23 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.0:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.931% * 99.7352% (0.72  10.0 10.00   3.20  60.04) = 100.000%  kept
          HG2   LYS+ 121 - HB    VAL  107  10.60 +/- 2.08   0.012% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   8.17 +/- 1.46   0.051% *  0.0199% (0.14   1.0  1.00   0.02   0.40) =   0.000%
          HG13  ILE  103 - HB    VAL  107  11.22 +/- 0.97   0.005% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.29 +/- 1.09   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.92 +/- 1.09   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.87, residual support = 60.0:
      O T QG1   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.940% * 99.7552% (0.71  10.0 10.00   3.87  60.04) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   8.17 +/- 1.46   0.052% *  0.0227% (0.16   1.0  1.00   0.02   0.40) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.32 +/- 1.72   0.008% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.20 +/- 2.09   0.001% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  17.30 +/- 1.72   0.000% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.92 +/- 1.09   0.000% *  0.0254% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.662, support = 0.624, residual support = 4.33:
          QD2   LEU  115 - HB    VAL  107   5.56 +/- 1.75  38.007% * 47.2462% (0.67   0.75   8.11) =  50.861%  kept
          QD1   LEU   63 - HB    VAL  107   5.32 +/- 1.46  45.126% * 32.6184% (0.71   0.49   0.40) =  41.691%  kept
          QD2   LEU   63 - HB    VAL  107   6.33 +/- 1.71  16.090% * 16.2957% (0.33   0.53   0.40) =   7.427%  kept
          QD1   LEU  104 - HB    VAL  107  10.22 +/- 1.03   0.577% *  0.9375% (0.50   0.02   0.02) =   0.015%
          QD1   LEU   73 - HB    VAL  107  13.01 +/- 0.89   0.116% *  1.3378% (0.71   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB    VAL  107  15.78 +/- 1.78   0.040% *  1.2240% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL  107  16.70 +/- 2.63   0.043% *  0.3403% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.84, residual support = 45.5:
          QD    PHE   95 - HB    VAL  107   2.65 +/- 0.93  99.982% * 99.8335% (0.63   3.84  45.49) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.23 +/- 1.09   0.018% *  0.1665% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.42:
          QD    PHE   97 - HB    VAL  107   6.91 +/- 1.42  98.544% * 54.4328% (0.33   0.02   2.45) =  98.779%  kept
          HZ3   TRP   87 - HB    VAL  107  17.89 +/- 4.68   1.456% * 45.5672% (0.27   0.02   0.02) =   1.221%  kept
    Distance limit 3.73 A violated in 19 structures by 3.16 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 = 60.0:
      O   HN    VAL  107 - HB    VAL  107   2.54 +/- 0.35  99.996% * 99.8992% (0.72  10.0   3.33  60.04) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.10 +/- 2.14   0.004% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.5:
          HN    PHE   95 - HB    VAL  107   4.38 +/- 1.15 100.000% *100.0000% (0.47   3.24  45.49) = 100.000%  kept
    Distance limit 4.10 A violated in 4 structures by 0.54 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.33, residual support = 60.0:
      O   QG2   VAL  107 - QG1   VAL  107   2.07 +/- 0.03  99.673% * 99.3994% (0.99  10.0  1.00   4.33  60.04) =  99.999%  kept
        T HG13  ILE  119 - QG1   VAL  107   6.03 +/- 1.09   0.271% *  0.1985% (0.20   1.0 10.00   0.02   0.40) =   0.001%
          HG2   LYS+ 121 - QG1   VAL  107   8.11 +/- 1.82   0.044% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.93 +/- 1.07   0.010% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.00 +/- 1.16   0.001% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.49 +/- 1.12   0.000% *  0.1756% (0.18   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 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.87, residual support = 60.0:
      O T HB    VAL  107 - QG1   VAL  107   2.13 +/- 0.01  99.697% * 99.5757% (0.65  10.0 10.00   3.87  60.04) = 100.000%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.26 +/- 1.10   0.154% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.66 +/- 0.90   0.134% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.30 +/- 1.50   0.013% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.40 +/- 1.60   0.000% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.25 +/- 1.11   0.000% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.16 +/- 1.05   0.001% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 60.0:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.698% * 99.2330% (0.65  10.0 10.00   3.20  60.04) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.59 +/- 0.90   0.161% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.66 +/- 0.75   0.124% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.59 +/- 1.19   0.017% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  17.01 +/- 1.15   0.000% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.99 +/- 0.68   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.56 +/- 0.83   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.65, support = 1.73, residual support = 5.48:
        T QB    GLU- 114 - QG2   VAL  107   3.20 +/- 0.33  83.245% * 94.2649% (0.65 10.00   1.74   5.53) =  99.199%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.29 +/- 1.54  13.892% *  4.5004% (0.99  1.00   0.54   0.02) =   0.790%  kept
        T HB    ILE  119 - QG2   VAL  107   6.35 +/- 1.57   2.821% *  0.2938% (0.18 10.00   0.02   0.40) =   0.010%
          HB2   GLN   17 - QG2   VAL  107  16.40 +/- 1.07   0.005% *  0.1678% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.01 +/- 0.98   0.009% *  0.0950% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  16.15 +/- 1.23   0.006% *  0.1343% (0.80  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.85 +/- 0.99   0.004% *  0.1678% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.94 +/- 1.64   0.007% *  0.0817% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.31 +/- 1.13   0.003% *  0.0690% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.64 +/- 1.29   0.001% *  0.1587% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.97 +/- 0.76   0.004% *  0.0294% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.42 +/- 0.70   0.003% *  0.0374% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.939, support = 1.11, residual support = 2.38:
        T QD1   LEU   63 - QG1   VAL  107   4.26 +/- 1.25  37.513% * 64.6940% (0.98 10.00   0.75   0.40) =  69.399%  kept
          QD2   LEU  115 - QG1   VAL  107   3.94 +/- 1.27  49.212% * 18.1709% (0.92  1.00   2.24   8.11) =  25.571%  kept
        T QD2   LEU   63 - QG1   VAL  107   4.97 +/- 1.32  12.895% * 13.6043% (0.45 10.00   0.34   0.40) =   5.016%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.60 +/- 1.00   0.311% *  1.2090% (0.69 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   73 - QG1   VAL  107  11.39 +/- 1.01   0.044% *  1.7252% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  14.73 +/- 2.12   0.011% *  0.4389% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.89 +/- 1.29   0.013% *  0.1578% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 1 structures by 0.35 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.32, residual support = 8.11:
          QD1   LEU  115 - QG2   VAL  107   3.81 +/- 1.41  97.514% * 97.7621% (0.38   1.32   8.11) =  99.942%  kept
          QG1   VAL   75 - QG2   VAL  107  10.45 +/- 1.04   2.486% *  2.2379% (0.57   0.02   0.02) =   0.058%
    Distance limit 3.58 A violated in 4 structures by 0.61 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.864, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.99 +/- 1.18  82.883% * 58.0948% (0.90   0.02   0.02) =  87.035%  kept
          QG2   ILE   19 - QG2   VAL  107  13.39 +/- 0.76  17.117% * 41.9052% (0.65   0.02   0.02) =  12.965%  kept
    Distance limit 3.26 A violated in 20 structures by 6.38 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.0:
      O T HA    VAL  107 - QG2   VAL  107   2.55 +/- 0.28  98.321% * 99.4123% (0.45  10.0 10.00   3.63  60.04) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.54 +/- 0.71   1.502% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107   9.60 +/- 1.53   0.153% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.79 +/- 1.38   0.022% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.43 +/- 0.86   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.306, support = 1.73, residual support = 5.83:
        T HB    ILE  119 - QG1   VAL  107   5.46 +/- 1.87  58.298% * 41.8262% (0.25 10.00   0.66   0.40) =  70.086%  kept
          HB    VAL  108 - QG1   VAL  107   5.74 +/- 0.52  20.732% * 49.2195% (0.45  1.00   4.32  18.93) =  29.330%  kept
          HG2   PRO   58 - QG1   VAL  107   9.20 +/- 1.23   1.769% *  6.9466% (0.65  1.00   0.42   0.02) =   0.353%
          HB2   PRO   93 - QG1   VAL  107   7.92 +/- 2.30  17.938% *  0.4250% (0.84  1.00   0.02   0.02) =   0.219%
          HG3   PRO   52 - QG1   VAL  107  11.29 +/- 2.28   1.017% *  0.3292% (0.65  1.00   0.02   0.02) =   0.010%
          HB2   ARG+  54 - QG1   VAL  107  13.11 +/- 1.19   0.171% *  0.2677% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - QG1   VAL  107  20.26 +/- 1.96   0.012% *  0.3695% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  107  16.26 +/- 0.98   0.034% *  0.1269% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  107  17.02 +/- 1.09   0.028% *  0.1007% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  107  27.30 +/- 1.67   0.002% *  0.3888% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 16 structures by 1.26 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 1.2, residual support = 7.96:
          HA    LEU  115 - QG1   VAL  107   2.46 +/- 1.16  93.882% * 47.7745% (0.90   1.20   8.11) =  93.910%  kept
          HA    GLU- 114 - QG1   VAL  107   4.87 +/- 1.03   5.978% * 48.6424% (0.92   1.19   5.53) =   6.089%  kept
          HA    ARG+  54 - QG1   VAL  107  11.87 +/- 1.22   0.090% *  0.3028% (0.34   0.02   0.02) =   0.001%
          HA    ALA   34 - QG1   VAL  107  17.06 +/- 0.91   0.013% *  0.8703% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.45 +/- 1.51   0.013% *  0.7701% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.27 +/- 1.39   0.009% *  0.8800% (0.99   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  19.88 +/- 1.24   0.007% *  0.5385% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.67 +/- 1.92   0.009% *  0.2214% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.57, residual support = 60.0:
      O T HA    VAL  107 - QG1   VAL  107   2.53 +/- 0.43  99.562% * 99.4123% (0.45  10.0 10.00   4.57  60.04) = 100.000%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.03 +/- 0.72   0.326% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.05 +/- 1.89   0.096% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  13.09 +/- 1.55   0.013% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.03 +/- 1.22   0.003% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 0.522, residual support = 2.17:
          QD    PHE   59 - QG1   VAL  107   4.07 +/- 1.00  99.364% * 84.7529% (0.49   0.52   2.18) =  99.957%  kept
          HH2   TRP   49 - QG1   VAL  107  14.68 +/- 2.26   0.333% *  6.4337% (0.97   0.02   0.02) =   0.025%
          HE21  GLN   30 - QG1   VAL  107  15.30 +/- 1.43   0.200% *  5.5684% (0.84   0.02   0.02) =   0.013%
          HD1   TRP   27 - QG1   VAL  107  16.05 +/- 1.61   0.104% *  3.2450% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.11 A violated in 11 structures by 1.01 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.85, residual support = 45.5:
          QD    PHE   95 - QG2   VAL  107   2.61 +/- 0.69  99.444% * 99.4862% (0.95   3.85  45.49) =  99.999%  kept
          QE    PHE   72 - QG2   VAL  107   8.27 +/- 1.10   0.487% *  0.0958% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL  107  10.53 +/- 1.11   0.070% *  0.4180% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 1.84, residual support = 8.04:
          HN    LEU  115 - QG2   VAL  107   3.31 +/- 0.73  95.690% * 79.6935% (0.90   1.84   8.11) =  99.119%  kept
          HN    ASP- 113 - QG2   VAL  107   6.25 +/- 0.50   3.450% * 19.4417% (0.28   1.45   0.02) =   0.872%  kept
          HN    PHE   97 - QG2   VAL  107   8.00 +/- 0.61   0.861% *  0.8648% (0.90   0.02   2.45) =   0.010%
    Distance limit 3.79 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 18.9:
          HN    VAL  108 - QG2   VAL  107   3.36 +/- 0.23  99.669% * 99.3373% (0.57   3.64  18.93) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  107   9.13 +/- 0.53   0.331% *  0.6627% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 60.0:
          HN    VAL  107 - QG1   VAL  107   2.83 +/- 0.56  99.971% * 99.5108% (0.99   4.10  60.04) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  13.72 +/- 2.00   0.029% *  0.4892% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.38 +/- 0.95 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 20 structures by 4.96 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 = 6.41:
      O   HN    ALA  110 - HA2   GLY  109   2.88 +/- 0.36  99.906% * 99.9027% (0.99  10.0   2.20   6.41) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.02 +/- 1.95   0.094% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.33:
      O   HN    GLY  109 - HA2   GLY  109   2.58 +/- 0.26  99.993% * 99.5895% (0.53  10.0   2.20   9.33) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  14.01 +/- 2.13   0.005% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.32 +/- 1.33   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  22.30 +/- 2.42   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.6, residual support = 64.7:
      O   HN    VAL  108 - HB    VAL  108   2.92 +/- 0.43  99.744% * 99.8788% (0.57  10.0   4.60  64.74) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  10.58 +/- 1.81   0.256% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.48:
          HN    GLY  109 - QG1   VAL  108   2.51 +/- 0.31  99.944% * 89.7983% (0.14   3.09   7.48) =  99.998%  kept
          HN    GLN   90 - QG1   VAL  108  10.73 +/- 2.13   0.040% *  3.7235% (0.87   0.02   0.02) =   0.002%
          HN    ILE  103 - QG1   VAL  108  13.38 +/- 1.23   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  16.95 +/- 2.28   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  19.82 +/- 2.89   0.008% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 64.7:
          HN    VAL  108 - QG1   VAL  108   3.67 +/- 0.10  99.050% * 99.4664% (0.57   4.52  64.74) =  99.995%  kept
          HN    VAL   43 - QG1   VAL  108  10.26 +/- 1.53   0.950% *  0.5336% (0.69   0.02   0.02) =   0.005%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 64.7:
          HN    VAL  108 - QG2   VAL  108   2.66 +/- 0.57  99.504% * 99.4087% (0.57   4.08  64.74) =  99.997%  kept
          HN    VAL   43 - QG2   VAL  108   8.61 +/- 1.20   0.496% *  0.5913% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.805, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.84 +/- 1.16  89.500% * 32.6470% (0.80   0.02   0.02) =  89.332%  kept
          HN    GLY   16 - QG2   VAL  108  18.42 +/- 2.43   4.839% * 39.3470% (0.97   0.02   0.02) =   5.821%  kept
          HN    SER   82 - QG2   VAL  108  17.14 +/- 2.21   5.661% * 28.0060% (0.69   0.02   0.02) =   4.847%  kept
    Distance limit 4.23 A violated in 20 structures by 5.41 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  14.59 +/- 2.64 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.80 A violated in 20 structures by 10.79 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 = 6.01:
          HA    LYS+ 106 - QG2   VAL  108   4.67 +/- 0.21 100.000% *100.0000% (0.28   1.42   6.01) = 100.000%  kept
    Distance limit 3.95 A violated in 1 structures by 0.71 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.53, residual support = 315.2:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.36 +/- 0.13  99.257% * 98.2964% (0.69  10.0  1.00   6.53 315.22) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 111  10.02 +/- 2.61   0.130% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.16 +/- 0.79   0.592% *  0.0251% (0.18   1.0  1.00   0.02  27.53) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.87 +/- 2.89   0.007% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.84 +/- 2.35   0.006% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.72 +/- 2.28   0.006% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.53 +/- 2.23   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.41 +/- 1.11   0.000% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  19.03 +/- 3.05   0.000% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.65 +/- 3.72   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.18 +/- 2.69   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.48 +/- 2.79   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.53 +/- 2.48   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  30.11 +/- 2.99   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.422, support = 2.6, residual support = 20.7:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.18 +/- 1.60  30.216% * 78.5365% (0.31  1.00   3.40  27.53) =  75.025%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.63 +/- 1.91  69.344% * 11.3868% (0.76  1.00   0.20   0.02) =  24.964%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.47 +/- 1.67   0.405% *  0.4160% (0.28  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 121 - HB3   LYS+ 111  15.01 +/- 1.94   0.021% *  7.8718% (0.53 10.00   0.02   0.02) =   0.005%
          HG13  ILE  103 - HB3   LYS+ 111  17.43 +/- 2.61   0.010% *  1.4929% (1.00  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 111  20.23 +/- 2.04   0.003% *  0.2961% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.45 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.93, residual support = 315.2:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.91 +/- 0.16  98.465% * 99.9336% (0.97  10.0   6.93 315.22) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.30 +/- 2.07   1.444% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  10.23 +/- 1.88   0.091% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 315.2:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.67 +/- 0.52  99.915% * 99.6823% (0.73  10.0   5.47 315.22) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.99 +/- 1.32   0.078% *  0.0468% (0.34   1.0   0.02   2.14) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.28 +/- 1.95   0.007% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  22.41 +/- 2.68   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.56 +/- 2.74   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.2:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.27 +/- 0.50  99.226% * 99.5678% (1.00  10.0   7.06 315.22) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.45 +/- 1.62   0.216% *  0.0834% (0.84   1.0   0.02   2.14) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.30 +/- 0.88   0.158% *  0.0146% (0.15   1.0   0.02   1.65) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.83 +/- 1.92   0.026% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.88 +/- 0.77   0.357% *  0.0031% (0.03   1.0   0.02   8.76) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  23.16 +/- 2.99   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  17.36 +/- 2.83   0.008% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.00 +/- 0.95   0.005% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.46 +/- 1.36   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.86 +/- 2.56   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.26 +/- 2.58   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.34 +/- 2.30   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.2:
          HN    LYS+ 111 - HG2   LYS+ 111   3.68 +/- 0.61  99.369% * 94.2708% (0.18   6.51 315.22) =  99.995%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.23 +/- 1.78   0.246% *  0.8048% (0.49   0.02   2.14) =   0.002%
          QE    PHE   60 - HG2   LYS+ 111  15.14 +/- 2.97   0.332% *  0.5103% (0.31   0.02   0.02) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  16.27 +/- 1.98   0.033% *  1.0029% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.84 +/- 3.88   0.013% *  1.4828% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.23 +/- 2.66   0.001% *  1.6388% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  22.68 +/- 2.92   0.006% *  0.2896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.2:
          HN    LYS+ 111 - HG3   LYS+ 111   3.29 +/- 0.54  99.283% * 98.0211% (0.65   6.55 315.22) =  99.998%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.33 +/- 2.02   0.287% *  0.4466% (0.97   0.02   2.14) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  15.95 +/- 2.13   0.020% *  0.4618% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.05 +/- 1.61   0.172% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.31 +/- 1.73   0.093% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.81 +/- 3.83   0.010% *  0.1737% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  13.29 +/- 1.55   0.035% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.06 +/- 1.04   0.036% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.77 +/- 3.19   0.025% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  22.38 +/- 2.86   0.002% *  0.2994% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  14.18 +/- 3.34   0.033% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.21 +/- 2.29   0.001% *  0.2620% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.22 +/- 1.01   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.72 +/- 2.21   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.69, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.18 +/- 0.63  99.763% * 92.7635% (0.09   5.69  31.88) =  99.998%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.00 +/- 1.43   0.217% *  0.4039% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.47 +/- 2.44   0.014% *  3.0533% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.50 +/- 3.13   0.006% *  3.7793% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.758, support = 0.829, residual support = 2.45:
        T HB2   LEU  115 - HA    LYS+ 112   2.92 +/- 0.63  88.568% * 68.4693% (0.76 10.00   0.75   2.23) =  97.568%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.43 +/- 0.59   5.921% * 15.2009% (0.73  1.00   1.75   0.02) =   1.448%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.28 +/- 0.32   3.947% * 15.4125% (0.18  1.00   7.37  27.53) =   0.979%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.92 +/- 2.54   1.553% *  0.1913% (0.80  1.00   0.02   0.02) =   0.005%
          HB2   LEU   67 - HA    LYS+ 112  16.24 +/- 1.79   0.005% *  0.0897% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.90 +/- 1.87   0.001% *  0.2072% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.25 +/- 1.43   0.001% *  0.1913% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.55 +/- 1.83   0.003% *  0.0418% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  21.19 +/- 1.89   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.44 +/- 1.59   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  29.88 +/- 2.67   0.000% *  0.0897% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.55:
        T QD1   ILE   56 - HA    LYS+ 112   4.26 +/- 1.73  98.590% * 99.7135% (0.84 10.00   1.82   8.55) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.93 +/- 0.93   0.490% *  0.1214% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  16.58 +/- 1.63   0.311% *  0.0745% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  12.46 +/- 1.37   0.590% *  0.0366% (0.28  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.79 +/- 1.93   0.019% *  0.0541% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 6 structures by 1.22 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.943, support = 1.7, residual support = 3.15:
          QD    PHE   55 - HA    LYS+ 112   5.38 +/- 1.55  68.382% * 96.9358% (0.95   1.70   3.16) =  99.677%  kept
          QE    PHE   95 - HA    LYS+ 112   7.23 +/- 2.03  31.411% *  0.6808% (0.57   0.02   0.02) =   0.322%
          HN    LEU   67 - HA    LYS+ 112  16.00 +/- 1.47   0.161% *  0.2380% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+ 112  22.03 +/- 1.88   0.022% *  1.1786% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  24.34 +/- 2.38   0.012% *  0.6326% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.11 +/- 2.95   0.012% *  0.3343% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 15 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.73, residual support = 230.9:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.79 +/- 0.06  99.981% * 99.7200% (0.92  10.0   5.73 230.85) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  14.33 +/- 2.55   0.012% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.27 +/- 2.02   0.005% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.24 +/- 1.87   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  36.78 +/- 2.01   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 230.9:
          HN    LYS+ 112 - HG2   LYS+ 112   3.52 +/- 0.60  99.981% * 98.9781% (0.41   6.23 230.85) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  20.47 +/- 3.57   0.007% *  0.5907% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  17.70 +/- 2.67   0.012% *  0.2385% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  37.48 +/- 2.29   0.000% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.734, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.15 +/- 1.28  42.588% * 30.2011% (0.90   0.02   0.02) =  56.108%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.96 +/- 2.10  49.575% * 17.7173% (0.53   0.02   0.02) =  38.316%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.95 +/- 1.79   7.128% * 15.0977% (0.45   0.02   0.02) =   4.695%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.73 +/- 1.89   0.636% * 31.0863% (0.92   0.02   0.02) =   0.863%  kept
          HN    LYS+  81 - HG2   LYS+ 112  25.45 +/- 3.85   0.073% *  5.8976% (0.18   0.02   0.02) =   0.019%
    Distance limit 4.02 A violated in 20 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.57, residual support = 230.8:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.46 +/- 0.41  99.926% * 93.9398% (0.20  10.0 10.00   4.57 230.85) =  99.997%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.24 +/- 2.19   0.065% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HG2   LYS+ 112  16.08 +/- 2.74   0.007% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  18.24 +/- 1.31   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  26.19 +/- 3.37   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.07 +/- 2.62   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  34.49 +/- 2.66   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 230.8:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.89 +/- 0.43  99.953% * 93.9398% (0.20  10.0 10.00   4.65 230.85) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.82 +/- 2.36   0.038% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG3   LYS+ 112  16.34 +/- 3.19   0.008% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  18.51 +/- 1.53   0.002% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.50 +/- 3.58   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.53 +/- 3.12   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  34.97 +/- 2.69   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.432, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   8.85 +/- 2.71  89.975% *  6.9459% (0.28   0.02   0.02) =  74.162%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.43 +/- 3.43   6.695% * 24.1093% (0.97   0.02   0.02) =  19.154%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.56 +/- 1.98   2.934% * 17.1603% (0.69   0.02   0.02) =   5.974%  kept
          HD2   HIS   22 - HG3   LYS+ 112  28.17 +/- 3.29   0.122% * 24.9820% (1.00   0.02   0.02) =   0.363%
          HN    THR   23 - HG3   LYS+ 112  25.36 +/- 3.58   0.203% *  7.7106% (0.31   0.02   0.02) =   0.186%
          HD21  ASN   35 - HG3   LYS+ 112  32.11 +/- 2.41   0.071% * 19.0919% (0.76   0.02   0.02) =   0.161%
    Distance limit 4.16 A violated in 18 structures by 4.41 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 = 230.9:
          HN    LYS+ 112 - HG3   LYS+ 112   3.39 +/- 0.33  99.981% * 98.9289% (0.41   5.94 230.85) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.77 +/- 3.82   0.008% *  0.6191% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  18.10 +/- 3.17   0.012% *  0.2500% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  38.06 +/- 2.46   0.000% *  0.2020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.65, residual support = 230.9:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.34 +/- 0.14  99.974% * 95.1769% (0.20  10.0  1.00   3.65 230.85) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.19 +/- 2.53   0.024% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.47 +/- 1.63   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.02 +/- 3.14   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  27.34 +/- 3.64   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  32.74 +/- 3.08   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  35.16 +/- 2.82   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 = 230.9:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.67 +/- 0.21  99.973% * 99.7845% (0.85  10.0   5.53 230.85) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.72 +/- 2.79   0.021% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.59 +/- 1.94   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 230.9:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.41 +/- 0.14  99.973% * 98.0934% (0.19  10.0   2.96 230.85) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.03 +/- 2.42   0.025% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.51 +/- 2.74   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.50 +/- 1.60   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.73 +/- 3.43   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.06 +/- 2.64   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  35.19 +/- 2.87   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.57, residual support = 230.9:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.46 +/- 0.41  99.799% * 99.5374% (0.75  10.0 10.00   4.57 230.85) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.24 +/- 2.19   0.065% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.18 +/- 1.99   0.047% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.03 +/- 1.76   0.016% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   9.38 +/- 1.19   0.070% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.87 +/- 1.04   0.003% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.54:
          QD1   ILE   56 - QE    LYS+ 112   3.92 +/- 1.26  85.757% * 88.7603% (0.44   1.45   8.55) =  99.946%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.00 +/- 0.82   9.205% *  0.2501% (0.09   0.02   0.02) =   0.030%
          QG2   THR   46 - QE    LYS+ 112  10.34 +/- 2.06   1.083% *  0.7173% (0.26   0.02   0.02) =   0.010%
          QG2   VAL   18 - HB3   ASP-  62   7.36 +/- 0.90   2.946% *  0.1955% (0.07   0.02   0.02) =   0.008%
          QG2   VAL   18 - QE    LYS+ 112  11.73 +/- 2.09   0.152% *  0.9554% (0.34   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   ASP-  62  11.16 +/- 1.62   0.536% *  0.1467% (0.05   0.02   0.02) =   0.001%
          QD2   LEU   73 - QE    LYS+ 112  15.10 +/- 1.90   0.038% *  1.8608% (0.67   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB3   ASP-  62  12.35 +/- 0.65   0.142% *  0.3807% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   43 - QE    LYS+ 112  14.83 +/- 1.61   0.036% *  1.5033% (0.54   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.94 +/- 0.81   0.066% *  0.3076% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   41 - QE    LYS+ 112  18.27 +/- 1.56   0.009% *  1.9410% (0.70   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  16.27 +/- 1.00   0.024% *  0.3971% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  23.06 +/- 2.32   0.002% *  2.1452% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.58 +/- 1.24   0.004% *  0.4389% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 3 structures by 0.55 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 230.8:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.89 +/- 0.43  90.420% * 99.5398% (0.81  10.0 10.00   4.65 230.85) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.86 +/- 1.08   9.267% *  0.0189% (0.15   1.0  1.00   0.02  42.50) =   0.002%
          HG    LEU   63 - QE    LYS+ 112   9.42 +/- 2.17   0.167% *  0.0925% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.82 +/- 2.36   0.033% *  0.2037% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.23 +/- 0.98   0.087% *  0.0257% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  20.11 +/- 2.56   0.001% *  0.0788% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.13 +/- 1.75   0.015% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.25 +/- 1.22   0.003% *  0.0159% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.42 +/- 2.27   0.006% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.51 +/- 1.55   0.001% *  0.0161% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 0.106, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.59 +/- 0.90  22.119% * 87.8148% (0.51 10.00   0.11   0.02) =  94.020%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.43 +/- 1.79  61.814% *  1.6179% (0.11  1.00   0.09   0.02) =   4.841%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.18 +/- 1.66  12.418% *  1.7315% (0.54  1.00   0.02   0.02) =   1.041%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.20 +/- 1.49   2.498% *  0.3321% (0.10  1.00   0.02   0.02) =   0.040%
          QB    ALA   20 - QE    LYS+ 112  16.23 +/- 2.26   0.147% *  2.6706% (0.83  1.00   0.02   0.02) =   0.019%
          HG2   LYS+ 121 - QE    LYS+ 112  14.80 +/- 0.96   0.170% *  2.2356% (0.70  1.00   0.02   0.02) =   0.018%
          QB    ALA   20 - HB3   ASP-  62  13.78 +/- 1.07   0.380% *  0.5464% (0.17  1.00   0.02   0.02) =   0.010%
          HG2   LYS+ 121 - HB3   ASP-  62  13.96 +/- 2.47   0.368% *  0.4574% (0.14  1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - QE    LYS+ 112  18.92 +/- 1.58   0.039% *  0.5297% (0.17  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QE    LYS+ 112  24.26 +/- 1.99   0.010% *  1.6234% (0.51  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   ASP-  62  22.75 +/- 1.42   0.012% *  0.3321% (0.10  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB3   ASP-  62  19.48 +/- 1.81   0.025% *  0.1084% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 14 structures by 1.64 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 0.871, residual support = 3.15:
          QD    PHE   55 - QE    LYS+ 112   4.06 +/- 0.84  87.032% * 88.5884% (0.72   0.87   3.16) =  99.795%  kept
          QE    PHE   95 - QE    LYS+ 112   7.50 +/- 2.62   5.529% *  2.2946% (0.82   0.02   0.02) =   0.164%
          QE    PHE   95 - HB3   ASP-  62   8.21 +/- 2.44   2.793% *  0.4695% (0.17   0.02   0.02) =   0.017%
          HN    LEU   67 - HB3   ASP-  62   7.24 +/- 0.89   3.595% *  0.3098% (0.11   0.02   0.02) =   0.014%
          HD1   TRP   49 - QE    LYS+ 112  15.28 +/- 2.79   0.347% *  0.7225% (0.26   0.02   0.02) =   0.003%
          QD    PHE   55 - HB3   ASP-  62  10.67 +/- 1.04   0.521% *  0.4155% (0.15   0.02   0.02) =   0.003%
          HN    LEU   67 - QE    LYS+ 112  14.14 +/- 2.09   0.119% *  1.5144% (0.54   0.02   0.02) =   0.002%
          HE3   TRP   27 - QE    LYS+ 112  20.22 +/- 2.30   0.011% *  1.8745% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  21.62 +/- 2.60   0.007% *  2.2592% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.59 +/- 1.29   0.016% *  0.3835% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.63 +/- 1.11   0.009% *  0.4622% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  23.85 +/- 2.64   0.004% *  0.4633% (0.17   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  20.41 +/- 1.70   0.010% *  0.1478% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  21.46 +/- 1.09   0.008% *  0.0948% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 5 structures by 0.53 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.29, residual support = 21.5:
          HN    GLU- 114 - QB    ASP- 113   2.61 +/- 0.19  97.739% * 78.1296% (0.84   3.30  21.62) =  99.478%  kept
          HN    GLN  116 - QB    ASP- 113   5.15 +/- 0.20   1.914% * 20.8412% (0.98   0.75   1.50) =   0.520%  kept
          HN    THR  118 - QB    ASP- 113   6.97 +/- 0.72   0.338% *  0.4540% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.47 +/- 0.78   0.009% *  0.3210% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  20.67 +/- 1.15   0.000% *  0.2542% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.33, residual support = 14.0:
      O   HN    ASP- 113 - QB    ASP- 113   2.12 +/- 0.08  99.999% * 99.9821% (0.98  10.0   3.33  13.98) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.13 +/- 2.38   0.001% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.99 +/- 1.10  97.755% * 39.4133% (0.41 10.00   0.02   0.02) =  98.988%  kept
        T HB3   LYS+  99 - HA    ASP- 113  22.17 +/- 1.71   0.660% * 50.4393% (0.53 10.00   0.02   0.02) =   0.855%  kept
          HB    ILE   89 - HA    ASP- 113  23.10 +/- 2.88   0.537% *  8.8499% (0.92  1.00   0.02   0.02) =   0.122%
          HB    VAL   43 - HA    ASP- 113  19.79 +/- 0.97   1.048% *  1.2975% (0.14  1.00   0.02   0.02) =   0.035%
    Distance limit 3.61 A violated in 20 structures by 5.37 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 4.02, residual support = 49.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  56.693% * 54.6839% (0.84  10.0   3.62  44.33) =  88.197%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  12.495% * 29.5328% (0.45  10.0   7.55 100.55) =  10.498%  kept
          HN    GLN  116 - HA    GLU- 114   4.53 +/- 0.34   3.619% *  9.8820% (0.98   1.0   3.08   0.31) =   1.017%  kept
          HN    GLU- 114 - HA    LEU  115   5.11 +/- 0.13   1.606% *  5.7277% (0.38   1.0   4.55  15.62) =   0.262%
          HN    THR  118 - HA    GLU- 114   4.11 +/- 0.81  10.425% *  0.0524% (0.80   1.0   0.02   0.02) =   0.016%
          HN    THR  118 - HA    LEU  115   3.61 +/- 0.36  15.036% *  0.0241% (0.37   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   8.09 +/- 0.75   0.115% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.51 +/- 0.73   0.008% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.15 +/- 1.12   0.002% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.53 +/- 1.32   0.001% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.567, support = 6.8, residual support = 160.5:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  80.272% * 31.4756% (0.41  10.0   7.68 227.96) =  68.222%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  17.207% * 68.3936% (0.90  10.0   4.92  15.62) =  31.777%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.12   2.076% *  0.0212% (0.28   1.0   0.02  21.62) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.74 +/- 0.30   0.407% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  11.02 +/- 1.89   0.029% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.05 +/- 1.23   0.009% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.88, residual support = 44.3:
      O   HN    GLU- 114 - QB    GLU- 114   2.20 +/- 0.12  97.859% * 99.6664% (0.81  10.0   3.88  44.33) =  99.998%  kept
          HN    THR  118 - QB    GLU- 114   4.85 +/- 0.73   1.425% *  0.0955% (0.77   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    GLU- 114   5.09 +/- 0.26   0.704% *  0.1170% (0.95   1.0   0.02   0.31) =   0.001%
          HN    PHE   60 - QB    GLU- 114  10.85 +/- 1.16   0.011% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.34 +/- 1.07   0.000% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 4.8, residual support = 15.8:
          HN    LEU  115 - QB    GLU- 114   3.12 +/- 0.40  87.509% * 82.6539% (0.87   4.85  15.62) =  97.161%  kept
          HN    ASP- 113 - QB    GLU- 114   4.44 +/- 0.23  12.428% * 17.0053% (0.27   3.22  21.62) =   2.839%  kept
          HN    PHE   97 - QB    GLU- 114  10.95 +/- 0.97   0.063% *  0.3409% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.839, support = 4.36, residual support = 42.4:
          HN    GLU- 114 - QG    GLU- 114   2.82 +/- 0.46  87.469% * 51.8661% (0.83   4.41  44.33) =  95.545%  kept
          HN    GLN  116 - QG    GLU- 114   5.03 +/- 0.87   4.403% * 47.6225% (0.98   3.45   0.31) =   4.416%  kept
          HN    THR  118 - QG    GLU- 114   4.78 +/- 0.69   8.065% *  0.2256% (0.80   0.02   0.02) =   0.038%
          HN    PHE   60 - QG    GLU- 114  10.17 +/- 1.40   0.059% *  0.1595% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  16.60 +/- 1.33   0.003% *  0.1263% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.37, residual support = 15.6:
          HN    LEU  115 - QG    GLU- 114   2.91 +/- 1.04  99.773% * 98.4290% (0.45   5.37  15.62) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.26 +/- 1.20   0.226% *  0.3668% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.43 +/- 1.37   0.001% *  0.4304% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  30.78 +/- 1.40   0.000% *  0.7739% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 0.644, residual support = 5.52:
          QG1   VAL  107 - QG    GLU- 114   3.23 +/- 0.61  98.501% * 92.9163% (0.98   0.64   5.53) =  99.968%  kept
          HD3   LYS+ 112 - QG    GLU- 114   8.01 +/- 1.31   1.070% *  2.4597% (0.83   0.02   0.02) =   0.029%
          HG13  ILE  119 - QG    GLU- 114   8.79 +/- 1.35   0.417% *  0.6556% (0.22   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG    GLU- 114  18.10 +/- 2.45   0.005% *  2.7184% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.29 +/- 2.28   0.005% *  0.5157% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.77 +/- 1.47   0.002% *  0.7343% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.53:
        T QG2   VAL  107 - QB    GLU- 114   3.20 +/- 0.33  99.559% * 99.3804% (0.59 10.00   1.74   5.53) =  99.999%  kept
          HG13  ILE  119 - QB    GLU- 114   9.21 +/- 0.87   0.274% *  0.1220% (0.62  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QB    GLU- 114  10.46 +/- 1.31   0.140% *  0.1576% (0.81  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QB    GLU- 114  13.59 +/- 1.20   0.023% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.14 +/- 1.13   0.004% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.58 +/- 1.01   0.001% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 228.0:
      O T HA    LEU  115 - HB3   LEU  115   2.37 +/- 0.27  99.488% * 97.8960% (0.92  10.0 10.00   6.29 227.96) =  99.998%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.43 +/- 0.16   0.353% *  0.4755% (0.45   1.0 10.00   0.02  15.62) =   0.002%
        T HA    ARG+  54 - HB3   LEU  115  11.25 +/- 1.18   0.011% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.80 +/- 0.40   0.095% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.11 +/- 1.49   0.025% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  16.56 +/- 1.56   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  15.33 +/- 5.81   0.017% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  16.68 +/- 0.85   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  19.24 +/- 1.72   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.77 +/- 0.98   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.68 +/- 0.76   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.33 +/- 2.14   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.12 +/- 2.27   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.98 +/- 1.57   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  24.22 +/- 1.56   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.18 +/- 0.19   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  22.61 +/- 2.09   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.34 +/- 1.71   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.31 +/- 1.58   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  25.57 +/- 1.75   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.11, residual support = 228.0:
      O T QD1   LEU  115 - HB3   LEU  115   2.49 +/- 0.28  99.990% * 99.7570% (0.87  10.0 10.00   6.11 227.96) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.88 +/- 1.50   0.005% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  16.01 +/- 1.56   0.003% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.84 +/- 0.70   0.003% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.29, residual support = 227.9:
      O T QD2   LEU  115 - HB3   LEU  115   2.45 +/- 0.34  94.005% * 98.9032% (0.45  10.0 10.00   7.29 227.96) =  99.994%  kept
          QD1   LEU   63 - HB3   LEU  115   5.23 +/- 1.01   2.416% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB3   LEU  115   6.42 +/- 0.90   0.631% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.85 +/- 1.33   1.234% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.40 +/- 0.57   0.607% *  0.0097% (0.04   1.0  1.00   0.02  18.91) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.26 +/- 1.07   0.897% *  0.0058% (0.03   1.0  1.00   0.02   9.97) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   9.16 +/- 1.73   0.089% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.88 +/- 0.67   0.059% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40  10.15 +/- 1.38   0.040% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.25 +/- 1.10   0.002% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  14.89 +/- 1.97   0.003% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.39 +/- 1.76   0.006% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.28 +/- 1.36   0.002% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.38 +/- 1.93   0.004% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.64 +/- 1.49   0.001% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  18.16 +/- 1.67   0.001% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.57 +/- 2.41   0.002% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  18.13 +/- 2.47   0.001% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.961, support = 7.92, residual support = 96.3:
          HN    GLN  116 - HB3   LEU  115   3.76 +/- 0.64  45.806% * 69.3860% (0.98   8.17 100.55) =  95.417%  kept
          HN    GLU- 114 - HB3   LEU  115   5.78 +/- 0.34   3.155% * 25.3049% (0.84   3.50  15.62) =   2.397%  kept
          HN    LEU   71 - HB3   LEU   40   3.88 +/- 0.97  43.300% *  1.1818% (0.05   2.59   1.94) =   1.536%  kept
          HN    THR  118 - HB3   LEU  115   5.54 +/- 0.42   5.511% *  3.8867% (0.80   0.56   0.02) =   0.643%  kept
          HN    PHE   60 - HB3   LEU  115   6.53 +/- 1.00   2.204% *  0.0981% (0.57   0.02   0.02) =   0.006%
          HN    LEU   71 - HB3   LEU  115  16.50 +/- 1.27   0.007% *  0.0777% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  16.15 +/- 1.75   0.007% *  0.0163% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  16.44 +/- 1.59   0.006% *  0.0115% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  19.07 +/- 2.01   0.003% *  0.0199% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.77 +/- 1.47   0.002% *  0.0170% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.44, residual support = 228.0:
      O   HN    LEU  115 - HB3   LEU  115   3.30 +/- 0.20  98.039% * 99.8421% (0.90  10.0   7.44 227.96) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.62 +/- 0.71   1.701% *  0.0310% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  12.23 +/- 2.03   0.062% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.55 +/- 0.72   0.193% *  0.0117% (0.11   1.0   0.02   1.79) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.99 +/- 1.40   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.69 +/- 1.65   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.16 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 +/- 0.63  99.928% * 99.6055% (0.69 10.00   0.75   2.23) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.76 +/- 0.83   0.028% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  12.47 +/- 1.85   0.043% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  26.04 +/- 1.95   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.937, support = 1.74, residual support = 4.6:
          QE    PHE   95 - HB2   LEU  115   5.22 +/- 2.11  69.336% * 40.9406% (0.98   1.42   3.98) =  61.942%  kept
          QD    PHE   55 - HB2   LEU  115   6.30 +/- 1.51  30.413% * 57.3439% (0.87   2.25   5.62) =  38.056%  kept
          HN    LEU   67 - HB2   LEU  115  14.16 +/- 0.93   0.130% *  0.3801% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU  115  17.49 +/- 2.42   0.089% *  0.1814% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.94 +/- 1.65   0.019% *  0.4705% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  22.75 +/- 1.73   0.009% *  0.5671% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  25.45 +/- 1.49   0.005% *  0.1163% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 5 structures by 0.64 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.78, support = 7.35, residual support = 96.6:
          HN    GLN  116 - HB2   LEU  115   3.35 +/- 0.35  79.481% * 80.6357% (0.80   7.51 100.55) =  95.400%  kept
          HN    GLU- 114 - HB2   LEU  115   4.42 +/- 0.20  16.437% * 18.7376% (0.34   4.09  15.62) =   4.584%  kept
          HN    THR  118 - HB2   LEU  115   5.79 +/- 0.23   3.309% *  0.2630% (0.98   0.02   0.02) =   0.013%
          HN    PHE   60 - HB2   LEU  115   7.65 +/- 0.91   0.772% *  0.2630% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  23.68 +/- 1.11   0.001% *  0.1007% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.37, residual support = 228.0:
      O   HN    LEU  115 - HB2   LEU  115   2.09 +/- 0.10  99.468% * 99.8692% (0.90  10.0   7.37 227.96) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.15 +/- 0.54   0.530% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.97 +/- 1.74   0.002% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.497, support = 5.5, residual support = 70.5:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  56.637% * 15.8212% (0.19  10.0   3.62  44.33) =  50.466%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  12.483% * 67.8581% (0.82  10.0   7.55 100.55) =  47.707%  kept
          HN    GLU- 114 - HA    LEU  115   5.11 +/- 0.13   1.604% * 13.1606% (0.70   1.0   4.55  15.62) =   1.189%  kept
          HN    GLN  116 - HA    GLU- 114   4.53 +/- 0.34   3.615% *  2.8591% (0.22   1.0   3.08   0.31) =   0.582%  kept
          HN    THR  118 - HA    LEU  115   3.61 +/- 0.36  15.021% *  0.0554% (0.67   1.0   0.02   0.02) =   0.047%
          HN    THR  118 - HA    GLU- 114   4.11 +/- 0.81  10.417% *  0.0152% (0.18   1.0   0.02   0.02) =   0.009%
          HN    PHE   60 - HA    LEU  115   8.09 +/- 0.75   0.115% *  0.0392% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.75 +/- 1.13   0.086% *  0.0220% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.60 +/- 1.06   0.005% *  0.0380% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.23 +/- 1.15   0.004% *  0.0324% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.51 +/- 0.73   0.008% *  0.0107% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.15 +/- 1.12   0.002% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.36 +/- 1.13   0.002% *  0.0311% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.53 +/- 1.32   0.001% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.96 +/- 1.59   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.719, support = 7.52, residual support = 216.2:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  80.258% * 78.3350% (0.75  10.0   7.68 227.96) =  94.459%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  17.204% * 21.4329% (0.20  10.0   4.92  15.62) =   5.540%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.12   2.075% *  0.0066% (0.06   1.0   0.02  21.62) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.74 +/- 0.30   0.407% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  11.02 +/- 1.89   0.029% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  12.86 +/- 1.01   0.009% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.05 +/- 1.23   0.009% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.46 +/- 1.34   0.008% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.64 +/- 1.88   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 = 7.51, residual support = 227.9:
          HN    LEU  115 - HG    LEU  115   3.45 +/- 0.57  94.611% * 99.4455% (0.78   7.51 227.96) =  99.995%  kept
          HN    ASP- 113 - HG    LEU  115   5.88 +/- 0.94   4.079% *  0.0821% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   7.69 +/- 0.74   1.242% *  0.0899% (0.26   0.02   1.79) =   0.001%
          HN    PHE   97 - HG    LEU  115  13.80 +/- 2.18   0.056% *  0.2647% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.54 +/- 1.46   0.010% *  0.0899% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  21.27 +/- 1.54   0.003% *  0.0279% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 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  10.45 +/- 1.40 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.77 A violated in 20 structures by 6.68 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.787, support = 1.77, residual support = 4.93:
          QD    PHE   55 - QD1   LEU  115   4.37 +/- 1.51  36.775% * 69.3845% (0.95   2.02   5.62) =  58.068%  kept
          QE    PHE   95 - QD1   LEU  115   4.24 +/- 2.08  63.146% * 29.1787% (0.57   1.42   3.98) =  41.931%  kept
          HN    LEU   67 - QD1   LEU  115  11.52 +/- 1.39   0.065% *  0.1434% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.63 +/- 1.77   0.007% *  0.7105% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  18.48 +/- 1.65   0.004% *  0.3814% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.67 +/- 1.86   0.003% *  0.2015% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.99, residual support = 27.4:
          QD    PHE   59 - QD1   LEU  115   3.24 +/- 0.87  99.901% * 98.5667% (0.95   3.99  27.41) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  13.78 +/- 1.74   0.080% *  0.4359% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.54 +/- 1.41   0.011% *  0.5037% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  18.53 +/- 1.97   0.008% *  0.4937% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 3 structures by 0.26 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.833, support = 0.02, residual support = 3.95:
          QD    PHE   95 - QD2   LEU  115   5.38 +/- 1.80  97.717% * 75.7271% (0.84   0.02   3.98) =  99.257%  kept
          HN    ALA   47 - QD2   LEU  115  11.82 +/- 1.37   2.283% * 24.2729% (0.27   0.02   0.02) =   0.743%  kept
    Distance limit 3.38 A violated in 16 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.894, support = 2.71, residual support = 27.4:
          QE    PHE   59 - QD2   LEU  115   3.22 +/- 0.94  72.065% * 83.1414% (0.89   2.87  27.41) =  93.200%  kept
          HN    PHE   59 - QD2   LEU  115   4.40 +/- 0.87  27.209% * 16.0599% (0.93   0.53  27.41) =   6.797%  kept
          HN    HIS  122 - QD2   LEU  115   7.79 +/- 0.89   0.542% *  0.2815% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QD2   LEU  115   9.47 +/- 1.34   0.182% *  0.2815% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  19.44 +/- 3.79   0.003% *  0.2356% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 4 structures by 0.32 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.97, residual support = 14.6:
        T QD1   ILE  119 - HA    GLN  116   2.89 +/- 0.75  98.577% * 99.5742% (0.61 10.00   3.97  14.61) =  99.999%  kept
          QD1   LEU   67 - HA    GLN  116   9.75 +/- 2.85   1.225% *  0.0560% (0.34  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  10.96 +/- 0.73   0.111% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.58 +/- 2.28   0.040% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.77 +/- 2.36   0.019% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  14.24 +/- 1.61   0.018% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.75 +/- 1.72   0.003% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  17.99 +/- 2.04   0.006% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.17 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 100.5:
          QD2   LEU  115 - HA    GLN  116   2.72 +/- 1.09  84.706% * 98.5614% (0.92   6.30 100.55) =  99.942%  kept
          QD1   LEU   63 - HA    GLN  116   6.63 +/- 2.11  14.085% *  0.3324% (0.98   0.02   0.02) =   0.056%
          QD2   LEU   63 - HA    GLN  116   6.73 +/- 1.78   1.197% *  0.1520% (0.45   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    GLN  116  13.70 +/- 2.23   0.010% *  0.2330% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.51 +/- 1.47   0.001% *  0.3324% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.83 +/- 1.45   0.000% *  0.3042% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  22.39 +/- 2.04   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 3 structures by 0.22 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.41, residual support = 14.6:
          HN    ILE  119 - HA    GLN  116   3.35 +/- 0.25  99.997% * 97.0604% (0.57   2.41  14.61) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.03 +/- 1.78   0.001% *  1.3703% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  24.22 +/- 2.00   0.001% *  0.4843% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.36 +/- 2.37   0.000% *  0.8039% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.34 +/- 2.68   0.000% *  0.2810% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.98, residual support = 122.3:
      O   HN    GLN  116 - HA    GLN  116   2.76 +/- 0.05  94.467% * 89.8156% (0.98  10.0   7.00 123.06) =  99.409%  kept
          HN    THR  118 - HA    GLN  116   4.58 +/- 0.32   5.033% * 10.0149% (0.80   1.0   2.73   0.02) =   0.591%  kept
          HN    GLU- 114 - HA    GLN  116   6.88 +/- 0.23   0.398% *  0.0765% (0.84   1.0   0.02   0.31) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.03 +/- 0.98   0.099% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.52 +/- 2.45   0.002% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.33 +/- 0.56  99.427% * 66.5564% (0.49  1.00   0.75   1.50) =  99.950%  kept
        T HA    PRO   58 - HB2   GLN  116  11.78 +/- 1.44   0.113% * 14.9903% (0.41 10.00   0.02   0.02) =   0.025%
          HA    ILE   56 - HB2   GLN  116   9.10 +/- 1.04   0.371% *  3.5189% (0.97  1.00   0.02   0.02) =   0.020%
          HA    LEU  123 - HB2   GLN  116  12.13 +/- 0.80   0.083% *  3.6382% (1.00  1.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HB2   GLN  116  21.97 +/- 2.27   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.93 +/- 2.20   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.85 +/- 2.09   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  29.33 +/- 2.17   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.25 +/- 2.44   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.01, residual support = 100.5:
          QD2   LEU  115 - HB2   GLN  116   3.86 +/- 1.13  85.276% * 97.5324% (0.45   7.02 100.55) =  99.910%  kept
          QD1   LEU   63 - HB2   GLN  116   8.32 +/- 2.01  11.649% *  0.4966% (0.80   0.02   0.02) =   0.069%
          QD2   LEU   63 - HB2   GLN  116   8.59 +/- 1.75   3.006% *  0.5725% (0.92   0.02   0.02) =   0.021%
          QD1   LEU  104 - HB2   GLN  116  15.25 +/- 1.68   0.032% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.13 +/- 1.12   0.007% *  0.4966% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.73 +/- 1.91   0.014% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.81 +/- 1.38   0.008% *  0.2328% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.86 +/- 1.29   0.003% *  0.2550% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.35 +/- 1.60   0.003% *  0.1381% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 3 structures by 0.43 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.99, residual support = 100.5:
          QD2   LEU  115 - HG2   GLN  116   3.54 +/- 1.29  83.959% * 98.7950% (1.00   6.99 100.55) =  99.957%  kept
          QD1   LEU   63 - HG2   GLN  116   7.67 +/- 2.71  14.838% *  0.2361% (0.84   0.02   0.02) =   0.042%
          QD2   LEU   63 - HG2   GLN  116   7.85 +/- 2.35   1.182% *  0.0705% (0.25   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG2   GLN  116  15.15 +/- 2.25   0.016% *  0.2535% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.68 +/- 1.62   0.003% *  0.2361% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.75 +/- 1.46   0.001% *  0.2820% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  23.40 +/- 1.95   0.001% *  0.1267% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 3 structures by 0.45 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.36, residual support = 123.1:
      O   HE21  GLN  116 - HG2   GLN  116   2.62 +/- 0.50  95.734% * 99.6673% (0.65  10.0   4.36 123.06) =  99.998%  kept
          HN    ALA  120 - HG2   GLN  116   5.55 +/- 0.86   4.203% *  0.0428% (0.28   1.0   0.02   0.43) =   0.002%
          HN    ALA   57 - HG2   GLN  116  10.49 +/- 1.44   0.063% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  27.25 +/- 2.32   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.43 +/- 2.80   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 7.31, residual support = 122.1:
          HN    GLN  116 - HG2   GLN  116   3.58 +/- 0.36  93.592% * 86.2808% (0.80   7.36 123.06) =  99.256%  kept
          HN    THR  118 - HG2   GLN  116   6.31 +/- 0.59   4.558% * 13.2227% (0.98   0.92   0.02) =   0.741%  kept
          HN    GLU- 114 - HG2   GLN  116   7.42 +/- 0.86   1.385% *  0.0998% (0.34   0.02   0.31) =   0.002%
          HN    PHE   60 - HG2   GLN  116   9.70 +/- 1.35   0.464% *  0.2869% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG2   GLN  116  23.90 +/- 2.52   0.002% *  0.1098% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.625, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.25 +/- 1.44  41.237% * 15.3326% (0.76   0.02   0.02) =  58.580%  kept
          QD    PHE   55 - HB2   GLN  116   8.55 +/- 1.68  55.067% *  6.8436% (0.34   0.02   0.02) =  34.916%  kept
          HN    LEU   67 - HB2   GLN  116  14.86 +/- 1.99   3.155% * 20.0629% (1.00   0.02   0.02) =   5.865%  kept
          HD1   TRP   49 - HB2   GLN  116  21.73 +/- 2.56   0.257% * 16.7579% (0.84   0.02   0.02) =   0.398%
          HN    THR   23 - HB2   GLN  116  26.88 +/- 1.71   0.065% * 16.0651% (0.80   0.02   0.02) =   0.096%
          HE3   TRP   27 - HB2   GLN  116  23.82 +/- 1.78   0.148% *  5.5782% (0.28   0.02   0.02) =   0.076%
          HD2   HIS   22 - HB2   GLN  116  29.05 +/- 1.69   0.041% * 13.7814% (0.69   0.02   0.02) =   0.052%
          HD21  ASN   35 - HB2   GLN  116  30.72 +/- 2.23   0.032% *  5.5782% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.72 A violated in 19 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.61, residual support = 123.1:
      O   HN    GLN  116 - HB2   GLN  116   2.09 +/- 0.06  99.263% * 99.7303% (0.98  10.0   7.61 123.06) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.32 +/- 0.45   0.451% *  0.0850% (0.84   1.0   0.02   0.31) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.59 +/- 0.24   0.279% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.58 +/- 1.13   0.007% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  19.93 +/- 2.05   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 28.5:
          HN    SER  117 - HB2   GLN  116   3.26 +/- 0.26  99.998% * 99.5615% (0.98   4.90  28.50) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.85 +/- 2.21   0.002% *  0.3462% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.79 +/- 2.04   0.000% *  0.0923% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.9, residual support = 28.5:
      O   HN    SER  117 - HA    GLN  116   3.59 +/- 0.04  99.994% * 99.8922% (0.98  10.0   4.90  28.50) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.37 +/- 2.27   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  28.99 +/- 1.84   0.000% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 2.22, residual support = 5.76:
        T QB    ALA  120 - HA    SER  117   3.21 +/- 0.34  91.397% * 98.3909% (0.92 10.00   2.22   5.76) =  99.925%  kept
          HD2   LYS+ 121 - HA    SER  117   6.31 +/- 1.85   7.431% *  0.8961% (0.18  1.00   0.96   0.02) =   0.074%
          HG    LEU  115 - HA    SER  117   7.65 +/- 0.86   0.685% *  0.0984% (0.92  1.00   0.02   2.05) =   0.001%
          HB3   LEU  115 - HA    SER  117   7.98 +/- 0.37   0.447% *  0.0400% (0.38  1.00   0.02   2.05) =   0.000%
          HG    LEU   67 - HA    SER  117  14.14 +/- 3.05   0.024% *  0.0519% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  18.20 +/- 2.32   0.004% *  0.1066% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  17.15 +/- 2.43   0.006% *  0.0400% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  24.07 +/- 1.20   0.001% *  0.2963% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.66 +/- 1.24   0.004% *  0.0237% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.59 +/- 1.12   0.001% *  0.0561% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.506, support = 1.58, residual support = 19.8:
          HE21  GLN  116 - HA    SER  117   5.17 +/- 0.95  19.868% * 84.6540% (0.65   2.10  28.50) =  61.760%  kept
          HN    ALA  120 - HA    SER  117   3.77 +/- 0.22  80.104% * 13.0001% (0.28   0.75   5.76) =  38.239%  kept
          HN    ALA   57 - HA    SER  117  14.53 +/- 0.91   0.027% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  28.37 +/- 2.44   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.98 +/- 2.40   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.61, residual support = 16.3:
      O   HN    SER  117 - HA    SER  117   2.75 +/- 0.05  99.999% * 99.9049% (0.57  10.0   3.61  16.28) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.71 +/- 1.83   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.37 +/- 1.12   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.214, support = 0.0196, residual support = 0.0196:
          HN    LYS+  81 - QB    SER   85   6.97 +/- 0.53  50.816% *  3.4992% (0.12   0.02   0.02) =  37.129%  kept
          HN    LYS+  81 - QB    SER   48   9.76 +/- 2.67  16.874% *  5.8981% (0.20   0.02   0.02) =  20.781%  kept
          QD    PHE   55 - QB    SER  117  10.52 +/- 1.29   5.595% * 14.4446% (0.49   0.02   0.02) =  16.874%  kept
          QE    PHE   95 - QB    SER  117   8.61 +/- 1.14  15.587% *  4.5788% (0.15   0.02   0.02) =  14.902%  kept
          QD    PHE   60 - QB    SER  117  12.22 +/- 0.93   1.819% * 12.2000% (0.41   0.02   0.02) =   4.634%  kept
          QD    PHE   60 - QB    SER   48  11.02 +/- 1.43   3.938% *  3.1728% (0.11   0.02   0.02) =   2.609%  kept
          QD    PHE   55 - QB    SER   48  12.49 +/- 1.23   1.664% *  3.7566% (0.13   0.02   0.02) =   1.305%  kept
          HE3   TRP   27 - QB    SER   85  15.06 +/- 3.42   0.857% *  2.5923% (0.09   0.02   0.02) =   0.464%
          QE    PHE   95 - QB    SER   48  12.53 +/- 1.76   1.844% *  1.1908% (0.04   0.02   0.02) =   0.458%
          HE3   TRP   27 - QB    SER   48  15.97 +/- 1.37   0.392% *  4.3694% (0.15   0.02   0.02) =   0.358%
          HE3   TRP   27 - QB    SER  117  20.72 +/- 1.27   0.073% * 16.8009% (0.57   0.02   0.02) =   0.255%
          HN    LYS+  81 - QB    SER  117  26.06 +/- 1.90   0.017% * 22.6789% (0.76   0.02   0.02) =   0.081%
          QD    PHE   60 - QB    SER   85  17.64 +/- 1.05   0.194% *  1.8824% (0.06   0.02   0.02) =   0.076%
          QE    PHE   95 - QB    SER   85  17.08 +/- 1.54   0.252% *  0.7065% (0.02   0.02   0.02) =   0.037%
          QD    PHE   55 - QB    SER   85  20.61 +/- 1.75   0.078% *  2.2287% (0.08   0.02   0.02) =   0.037%
    Distance limit 3.78 A violated in 19 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 37.3:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.73  37.31) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.907, support = 1.92, residual support = 8.42:
          QG1   VAL  107 - HB    THR  118   2.44 +/- 1.62  85.869% * 59.5212% (0.98   1.63   5.45) =  90.318%  kept
          HG13  ILE  119 - HB    THR  118   5.87 +/- 1.03  14.103% * 38.8496% (0.22   4.68  36.05) =   9.682%  kept
          HD3   LYS+ 112 - HB    THR  118  10.70 +/- 1.26   0.027% *  0.6234% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  19.87 +/- 2.33   0.001% *  0.6890% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  21.08 +/- 1.78   0.000% *  0.1861% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.94 +/- 2.28   0.000% *  0.1307% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.474, support = 1.79, residual support = 10.4:
          QE    PHE   59 - HB    THR  118   3.20 +/- 1.05  95.783% * 41.4184% (0.45   1.82  10.81) =  94.586%  kept
          HN    HIS  122 - HB    THR  118   6.74 +/- 0.27   3.990% * 56.8565% (0.92   1.22   4.11) =   5.409%  kept
          HN    PHE   59 - HB    THR  118   9.43 +/- 0.97   0.216% *  0.8462% (0.84   0.02  10.81) =   0.004%
          HH2   TRP   87 - HB    THR  118  21.34 +/- 4.52   0.011% *  0.8788% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.61, residual support = 37.3:
      O   HN    THR  118 - HB    THR  118   2.23 +/- 0.16  99.310% * 99.7459% (0.98  10.0   3.61  37.31) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.48 +/- 0.38   0.525% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB    THR  118   6.91 +/- 0.71   0.145% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.56 +/- 0.81   0.020% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.16 +/- 1.59   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.75, residual support = 37.3:
      O T QG2   THR  118 - HA    THR  118   2.56 +/- 0.18 100.000% *100.0000% (0.14  10.0 10.00   3.75  37.31) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.863, support = 0.0199, residual support = 36.0:
        T QG2   ILE  119 - HA    THR  118   5.70 +/- 0.22  92.912% * 82.9340% (0.87 10.00   0.02  36.05) =  99.738%  kept
          QD1   ILE  103 - HA    THR  118  12.13 +/- 2.29   1.476% *  7.1780% (0.75  1.00   0.02   0.02) =   0.137%
          QG2   ILE  103 - HA    THR  118   9.89 +/- 2.25   5.290% *  1.5050% (0.16  1.00   0.02   0.02) =   0.103%
          QD2   LEU   71 - HA    THR  118  15.74 +/- 1.21   0.244% *  6.2402% (0.65  1.00   0.02   0.02) =   0.020%
          HG3   LYS+  74 - HA    THR  118  19.07 +/- 1.31   0.078% *  2.1428% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 20 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.633, support = 2.75, residual support = 16.5:
          QG1   VAL  107 - HA    THR  118   4.67 +/- 1.53  82.970% * 26.1844% (0.88  1.00   1.63   5.45) =  63.822%  kept
        T HG13  ILE  119 - HA    THR  118   6.84 +/- 0.75  16.846% * 73.0989% (0.20 10.00   4.73  36.05) =  36.176%  kept
          HD3   LYS+ 112 - HA    THR  118  12.64 +/- 1.20   0.163% *  0.2742% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  21.49 +/- 2.34   0.007% *  0.3031% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  21.79 +/- 1.97   0.006% *  0.0819% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  21.42 +/- 2.26   0.008% *  0.0575% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 3 structures by 0.76 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.479, support = 2.36, residual support = 8.47:
        T HB3   LYS+ 121 - HA    THR  118   3.22 +/- 0.46  46.118% * 63.1148% (0.22 10.00   2.05   8.47) =  61.642%  kept
          HD2   LYS+ 121 - HA    THR  118   3.29 +/- 1.20  50.601% * 35.7831% (0.89  1.00   2.85   8.47) =  38.345%  kept
          QD    LYS+  66 - HA    THR  118  10.87 +/- 2.49   3.192% *  0.1838% (0.65  1.00   0.02   0.02) =   0.012%
          HB3   LYS+ 111 - HA    THR  118  10.72 +/- 1.80   0.049% *  0.0443% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  11.51 +/- 2.48   0.030% *  0.0631% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.06 +/- 1.45   0.004% *  0.2531% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  14.27 +/- 1.92   0.005% *  0.0564% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.95 +/- 1.16   0.001% *  0.2114% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  21.18 +/- 1.20   0.000% *  0.2509% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.86 +/- 1.18   0.001% *  0.0391% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 35.8:
        T HB    ILE  119 - HA    THR  118   5.54 +/- 0.14  93.060% * 57.0728% (0.69 10.00   0.02  36.05) =  99.190%  kept
          HB    VAL  108 - HA    THR  118  11.11 +/- 2.11   5.308% *  7.0645% (0.85  1.00   0.02   0.02) =   0.700%  kept
          HB2   PRO   93 - HA    THR  118  14.57 +/- 2.45   0.543% *  7.0645% (0.85  1.00   0.02   0.02) =   0.072%
          HG2   PRO   58 - HA    THR  118  13.19 +/- 1.51   0.614% *  1.3079% (0.16  1.00   0.02   0.02) =   0.015%
          HB2   ARG+  54 - HA    THR  118  19.82 +/- 1.08   0.047% *  7.3202% (0.88  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HA    THR  118  19.78 +/- 2.48   0.057% *  5.1298% (0.62  1.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - HA    THR  118  16.81 +/- 2.11   0.203% *  1.1523% (0.14  1.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    THR  118  21.88 +/- 1.63   0.027% *  5.7073% (0.69  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - HA    THR  118  18.51 +/- 2.19   0.107% *  1.3079% (0.16  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    THR  118  23.53 +/- 1.22   0.017% *  3.3482% (0.40  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    THR  118  25.26 +/- 2.57   0.014% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.08 +/- 2.45   0.002% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 19 structures by 1.69 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.4, support = 0.0199, residual support = 35.9:
        T HG12  ILE  119 - HA    THR  118   6.30 +/- 0.24  98.090% * 44.9828% (0.40 10.00   0.02  36.05) =  99.606%  kept
          HB2   ASP-  44 - HA    THR  118  14.03 +/- 1.15   0.934% *  9.4912% (0.85  1.00   0.02   0.02) =   0.200%
          HB3   PHE   72 - HA    THR  118  14.72 +/- 1.08   0.668% *  8.7032% (0.78  1.00   0.02   0.02) =   0.131%
          QG    GLU-  15 - HA    THR  118  18.78 +/- 1.70   0.172% *  9.9446% (0.89  1.00   0.02   0.02) =   0.039%
          QG    GLU-  14 - HA    THR  118  22.37 +/- 1.85   0.059% *  9.2620% (0.83  1.00   0.02   0.02) =   0.012%
          QG    GLN   90 - HA    THR  118  22.59 +/- 1.36   0.050% *  8.0341% (0.72  1.00   0.02   0.02) =   0.009%
          QB    MET   11 - HA    THR  118  29.57 +/- 1.99   0.010% *  8.0341% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    THR  118  27.23 +/- 1.46   0.016% *  1.5481% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.1, residual support = 37.3:
      O T HB    THR  118 - HA    THR  118   3.03 +/- 0.05  99.950% * 99.8099% (0.72  10.0 10.00   3.10  37.31) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  11.14 +/- 0.94   0.047% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  19.33 +/- 1.84   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  21.91 +/- 1.82   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  23.24 +/- 2.04   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.74 +/- 1.84   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0198, residual support = 10.7:
          QD    PHE   59 - HA    THR  118   7.06 +/- 0.91  99.161% * 25.6201% (0.85   0.02  10.81) =  99.206%  kept
          HH2   TRP   49 - HA    THR  118  22.81 +/- 3.06   0.429% * 22.6222% (0.75   0.02   0.02) =   0.379%
          HE21  GLN   30 - HA    THR  118  20.32 +/- 1.49   0.270% * 26.1376% (0.87   0.02   0.02) =   0.276%
          HD1   TRP   27 - HA    THR  118  22.85 +/- 2.09   0.139% * 25.6201% (0.85   0.02   0.02) =   0.139%
    Distance limit 3.43 A violated in 20 structures by 3.63 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.0199, residual support = 0.0199:
          HN    LEU  123 - HA    THR  118   6.70 +/- 0.25  99.651% * 43.4534% (0.47   0.02   0.02) =  99.735%  kept
          HZ2   TRP   49 - HA    THR  118  22.46 +/- 3.21   0.242% * 40.2018% (0.44   0.02   0.02) =   0.224%
          HE21  GLN   17 - HA    THR  118  22.45 +/- 1.90   0.107% * 16.3448% (0.18   0.02   0.02) =   0.040%
    Distance limit 3.81 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.34, residual support = 36.0:
      O   HN    ILE  119 - HA    THR  118   3.55 +/- 0.04  99.994% * 99.6357% (0.51  10.0   5.34  36.05) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.71 +/- 1.13   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  24.51 +/- 1.70   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  23.36 +/- 2.14   0.001% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.82 +/- 1.95   0.001% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.74, residual support = 37.3:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.03  99.559% * 99.6520% (0.51  10.0   3.74  37.31) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   7.07 +/- 0.18   0.421% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.89 +/- 0.76   0.020% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.74 +/- 1.69   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.38, support = 3.16, residual support = 37.3:
      O T HA    THR  118 - HB    THR  118   3.03 +/- 0.05  87.623% * 73.7102% (0.38  10.0 10.00   3.10  37.31) =  96.972%  kept
          HA    ILE  119 - HB    THR  118   4.60 +/- 0.27   7.790% * 25.8711% (0.53   1.0  1.00   5.01  36.05) =   3.026%  kept
          HA2   GLY  109 - HB    THR  118  10.43 +/- 2.10   4.541% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    THR  118  11.00 +/- 1.01   0.042% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.57 +/- 1.23   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  22.00 +/- 2.35   0.001% *  0.0881% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  21.42 +/- 2.03   0.001% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.537, support = 3.88, residual support = 13.6:
          QG1   VAL  107 - QG2   THR  118   2.58 +/- 1.38  84.913% * 32.4959% (0.51   3.28   5.45) =  73.365%  kept
          HG13  ILE  119 - QG2   THR  118   5.16 +/- 0.97  15.060% * 66.5199% (0.62   5.53  36.05) =  26.635%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.65 +/- 1.09   0.022% *  0.3379% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.91 +/- 1.99   0.001% *  0.3140% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  16.17 +/- 1.74   0.001% *  0.2543% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.36 +/- 0.85   0.003% *  0.0780% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.256, support = 1.61, residual support = 4.99:
        T HB3   ASP- 105 - QG2   THR  118   4.29 +/- 2.49  76.311% * 77.2609% (0.25 10.00   1.61   5.05) =  97.008%  kept
          QB    LYS+ 106 - QG2   THR  118   5.57 +/- 1.69  11.167% * 15.1235% (0.51  1.00   1.55   2.99) =   2.779%  kept
          HB3   PRO   58 - QG2   THR  118  11.36 +/- 1.38   1.761% *  5.6172% (0.62  1.00   0.47   0.02) =   0.163%
          HB    ILE   56 - QG2   THR  118   9.05 +/- 1.49   8.784% *  0.3262% (0.85  1.00   0.02   0.02) =   0.047%
          HG3   PRO   68 - QG2   THR  118  12.80 +/- 1.99   1.270% *  0.0682% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG2   THR  118  12.86 +/- 1.21   0.187% *  0.2991% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QG2   THR  118  16.01 +/- 1.22   0.053% *  0.3328% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118  10.56 +/- 2.58   0.219% *  0.0768% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.42 +/- 1.44   0.134% *  0.0860% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.86 +/- 1.71   0.032% *  0.3440% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.68 +/- 1.24   0.043% *  0.1294% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  18.49 +/- 1.28   0.024% *  0.1546% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  19.78 +/- 1.44   0.016% *  0.1814% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.551, support = 2.14, residual support = 9.55:
        T HB2   ASP- 105 - QG2   THR  118   3.71 +/- 2.90  74.992% * 65.5307% (0.51 10.00   1.61   5.05) =  85.479%  kept
          HG12  ILE  119 - QG2   THR  118   4.42 +/- 0.59  24.696% * 33.8030% (0.80  1.00   5.25  36.05) =  14.521%  kept
          HB2   ASP-  44 - QG2   THR  118   9.34 +/- 1.06   0.197% *  0.0539% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.26 +/- 0.98   0.077% *  0.0699% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.65 +/- 1.30   0.012% *  0.1326% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.39 +/- 1.44   0.011% *  0.0399% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.14 +/- 1.72   0.004% *  0.0590% (0.37  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  17.12 +/- 1.11   0.003% *  0.0813% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  15.34 +/- 2.04   0.004% *  0.0399% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.84 +/- 1.40   0.003% *  0.0490% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  20.46 +/- 1.22   0.001% *  0.1408% (0.88  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.366, support = 4.07, residual support = 37.0:
      O T HA    THR  118 - QG2   THR  118   2.56 +/- 0.18  80.804% * 41.5367% (0.34  10.0 10.00   3.75  37.31) =  78.259%  kept
        T HA    ILE  119 - QG2   THR  118   3.56 +/- 0.36  16.012% * 58.2274% (0.47   1.0 10.00   5.21  36.05) =  21.739%  kept
          HA2   GLY  109 - QG2   THR  118   9.68 +/- 1.86   3.147% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   THR  118   9.98 +/- 1.29   0.032% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.93 +/- 1.01   0.002% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  19.06 +/- 1.99   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  17.61 +/- 1.87   0.001% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.73, residual support = 37.3:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.885% * 99.8099% (0.72  10.0 10.00   3.73  37.31) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   7.38 +/- 1.13   0.113% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.58 +/- 1.29   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  16.30 +/- 1.70   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.85 +/- 1.45   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.33 +/- 1.67   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 1.34, residual support = 4.11:
          HD2   HIS  122 - QG2   THR  118   3.21 +/- 0.11  99.595% * 97.4133% (0.90   1.34   4.11) =  99.996%  kept
          HE22  GLN  116 - QG2   THR  118   9.09 +/- 0.78   0.234% *  1.4465% (0.89   0.02   0.02) =   0.003%
          QD    PHE   45 - QG2   THR  118   9.88 +/- 1.18   0.165% *  0.5441% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  17.76 +/- 1.80   0.005% *  0.5960% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.37, residual support = 10.8:
          QD    PHE   59 - QG2   THR  118   4.73 +/- 1.31  99.092% * 98.3078% (0.85   3.37  10.81) =  99.995%  kept
          HE21  GLN   30 - QG2   THR  118  14.90 +/- 1.23   0.349% *  0.5947% (0.87   0.02   0.02) =   0.002%
          HH2   TRP   49 - QG2   THR  118  17.44 +/- 2.50   0.382% *  0.5147% (0.75   0.02   0.02) =   0.002%
          HD1   TRP   27 - QG2   THR  118  16.70 +/- 1.84   0.177% *  0.5829% (0.85   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 11 structures by 1.39 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.21, residual support = 36.0:
        T QG2   THR  118 - HA    ILE  119   3.56 +/- 0.36 100.000% *100.0000% (0.57 10.00   5.21  36.05) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 4.0, residual support = 38.9:
          QB    ALA  120 - HA    ILE  119   5.00 +/- 0.01  45.816% * 62.1839% (0.45   4.81  54.08) =  70.939%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.63 +/- 1.06  32.631% * 35.6241% (0.61   2.04   1.84) =  28.944%  kept
          HG    LEU  115 - HA    ILE  119   7.01 +/- 1.30  12.433% *  0.2586% (0.45   0.02   9.23) =   0.080%
          QD    LYS+  66 - HA    ILE  119   7.84 +/- 1.99   8.444% *  0.1438% (0.25   0.02   0.02) =   0.030%
          HB3   LEU   40 - HA    ILE  119  13.71 +/- 3.21   0.355% *  0.3961% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HA    ILE  119  12.04 +/- 1.40   0.257% *  0.3961% (0.69   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    ILE  119  16.40 +/- 1.74   0.049% *  0.5566% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  19.53 +/- 1.95   0.017% *  0.4407% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 11 structures by 0.77 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 22.1:
          QD    PHE   59 - HA    ILE  119   4.39 +/- 1.10  99.881% * 97.4843% (0.95   2.25  22.10) =  99.999%  kept
          HE21  GLN   30 - HA    ILE  119  18.48 +/- 2.46   0.085% *  0.8840% (0.97   0.02   0.02) =   0.001%
          HD1   TRP   27 - HA    ILE  119  22.14 +/- 2.86   0.022% *  0.8665% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HA    ILE  119  22.63 +/- 2.51   0.012% *  0.7651% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 7 structures by 1.17 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.7, residual support = 255.5:
      O   HN    ILE  119 - HA    ILE  119   2.77 +/- 0.04  99.998% * 99.7485% (0.98  10.0   8.70 255.48) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.49 +/- 1.94   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.13 +/- 3.13   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  23.71 +/- 2.44   0.000% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.54 +/- 2.97   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.201, support = 5.68, residual support = 51.8:
      O   HN    ALA  120 - HA    ILE  119   3.61 +/- 0.02  89.035% * 72.5570% (0.18  10.0   5.86  54.08) =  95.820%  kept
          HN    LEU  123 - HA    ILE  119   5.20 +/- 0.28  10.579% * 26.6226% (0.80   1.0   1.60   0.02) =   4.177%  kept
          HN    ALA  124 - HA    ILE  119   9.05 +/- 0.44   0.380% *  0.4061% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  18.88 +/- 1.95   0.006% *  0.4143% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.79, residual support = 14.6:
          HA    GLN  116 - HB    ILE  119   2.40 +/- 0.55  99.987% * 96.8789% (0.84   2.79  14.61) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.14 +/- 2.71   0.006% *  0.6938% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  15.66 +/- 1.80   0.003% *  0.3782% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.62 +/- 2.36   0.002% *  0.2219% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.77 +/- 2.90   0.000% *  0.4650% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  27.09 +/- 2.81   0.000% *  0.5220% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  20.93 +/- 1.73   0.000% *  0.1109% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.15 +/- 2.51   0.000% *  0.4070% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.87 +/- 2.01   0.000% *  0.3223% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 4.96, residual support = 53.4:
          HN    ALA  120 - HB    ILE  119   3.08 +/- 0.29  77.753% * 92.8092% (0.53   5.03  54.08) =  98.260%  kept
          HE21  GLN  116 - HB    ILE  119   4.47 +/- 1.22  21.347% *  5.9780% (0.22   0.79  14.61) =   1.738%  kept
          HN    LEU  123 - HB    ILE  119   6.66 +/- 0.42   0.773% *  0.1877% (0.27   0.02   0.02) =   0.002%
          HN    ALA  124 - HB    ILE  119  10.19 +/- 0.66   0.063% *  0.4870% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.53 +/- 1.05   0.063% *  0.1204% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.31 +/- 2.20   0.001% *  0.4178% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.53, residual support = 255.5:
      O   HN    ILE  119 - HB    ILE  119   2.08 +/- 0.18 100.000% * 99.7485% (0.85  10.0   7.53 255.48) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.92 +/- 1.90   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  24.06 +/- 2.12   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.62 +/- 2.94   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.80 +/- 2.69   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 54.1:
          HA    ALA  120 - QG2   ILE  119   3.08 +/- 0.31  98.414% * 94.9045% (0.57   3.85  54.08) =  99.996%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.33 +/- 0.15   1.422% *  0.1725% (0.20   0.02   1.84) =   0.003%
          HA    LYS+  65 - QG2   ILE  119  10.18 +/- 1.49   0.109% *  0.8243% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   ILE  119  13.84 +/- 2.04   0.021% *  0.7815% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.82 +/- 1.42   0.008% *  0.6660% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  14.18 +/- 1.21   0.012% *  0.2173% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.92 +/- 1.12   0.003% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.73 +/- 1.51   0.006% *  0.1345% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.46 +/- 1.38   0.003% *  0.2690% (0.31   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  23.21 +/- 1.45   0.001% *  0.7815% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  23.26 +/- 2.72   0.001% *  0.4934% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  23.83 +/- 1.51   0.001% *  0.4585% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 5.57, residual support = 53.2:
          HN    ALA  120 - QG2   ILE  119   2.49 +/- 0.50  70.896% * 81.3762% (0.61   5.63  54.08) =  98.311%  kept
          HN    LEU  123 - QG2   ILE  119   4.53 +/- 0.28   4.451% * 16.8244% (0.31   2.29   0.02) =   1.276%  kept
          HE21  GLN  116 - QG2   ILE  119   3.49 +/- 1.40  24.162% *  0.9967% (0.25   0.17  14.61) =   0.410%
          HN    ALA  124 - QG2   ILE  119   6.91 +/- 0.55   0.371% *  0.3813% (0.80   0.02   0.02) =   0.002%
          HN    ALA   57 - QG2   ILE  119   9.52 +/- 1.05   0.118% *  0.0942% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  16.39 +/- 2.30   0.003% *  0.3271% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 255.5:
          HN    ILE  119 - QG2   ILE  119   3.32 +/- 0.22  99.991% * 99.2736% (0.80   7.87 255.48) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  21.36 +/- 3.02   0.002% *  0.3146% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  17.90 +/- 1.85   0.005% *  0.1075% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  21.58 +/- 1.75   0.002% *  0.3043% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.878, support = 1.98, residual support = 8.7:
          QD2   LEU  115 - HG12  ILE  119   3.27 +/- 1.10  66.878% * 86.1622% (0.90   2.07   9.23) =  94.212%  kept
          QD1   LEU   63 - HG12  ILE  119   4.25 +/- 1.55  33.032% * 10.7153% (0.57   0.41   0.02) =   5.787%  kept
          QD1   LEU  104 - HG12  ILE  119  11.96 +/- 2.73   0.069% *  0.9267% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG12  ILE  119  14.65 +/- 1.74   0.011% *  0.5246% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  18.44 +/- 1.88   0.002% *  0.8554% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  20.19 +/- 2.19   0.002% *  0.6729% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  16.28 +/- 1.97   0.006% *  0.1430% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.889, support = 2.05, residual support = 9.02:
          QD2   LEU  115 - HG13  ILE  119   3.89 +/- 1.18  60.233% * 93.2991% (0.90   2.09   9.23) =  97.691%  kept
          QD1   LEU   63 - HG13  ILE  119   4.51 +/- 1.69  39.569% *  3.3523% (0.57   0.12   0.02) =   2.306%  kept
          QD1   LEU  104 - HG13  ILE  119  12.08 +/- 2.54   0.162% *  0.9937% (1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HG13  ILE  119  14.87 +/- 1.93   0.021% *  0.5626% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.93 +/- 1.97   0.004% *  0.9173% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  20.77 +/- 2.23   0.002% *  0.7216% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  17.05 +/- 1.96   0.008% *  0.1533% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   9.03 +/- 2.49 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.56 A violated in 20 structures by 5.46 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.07, residual support = 22.1:
          QD    PHE   59 - HG13  ILE  119   3.29 +/- 0.66  99.979% * 98.1462% (0.95   3.07  22.10) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  18.46 +/- 2.62   0.016% *  0.6515% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  22.22 +/- 2.61   0.003% *  0.6386% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  21.82 +/- 1.86   0.002% *  0.5638% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.17, residual support = 255.5:
          HN    ILE  119 - HG13  ILE  119   3.87 +/- 0.81  99.978% * 99.2040% (0.80   7.17 255.48) = 100.000%  kept
          HN    CYS   21 - HG13  ILE  119  18.88 +/- 2.08   0.015% *  0.1178% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  23.92 +/- 3.05   0.004% *  0.3447% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG13  ILE  119  23.60 +/- 2.27   0.003% *  0.3334% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.68, residual support = 22.1:
          QD    PHE   59 - HG12  ILE  119   2.69 +/- 0.89  99.989% * 98.9494% (0.84   3.68  22.10) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  18.46 +/- 2.30   0.007% *  0.3136% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  21.70 +/- 2.64   0.002% *  0.5382% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  20.87 +/- 2.23   0.001% *  0.1989% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.5, residual support = 255.5:
          HN    ILE  119 - HG12  ILE  119   3.32 +/- 0.28  99.993% * 99.2381% (0.80   7.50 255.48) = 100.000%  kept
          HN    CYS   21 - HG12  ILE  119  18.64 +/- 1.84   0.004% *  0.1128% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG12  ILE  119  22.65 +/- 2.35   0.001% *  0.3191% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  24.02 +/- 2.76   0.001% *  0.3299% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 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   8.53 +/- 2.43 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 19 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.381, support = 4.25, residual support = 8.64:
          QD2   LEU  115 - QD1   ILE  119   2.34 +/- 0.98  83.129% * 68.8761% (0.40  1.00   4.51   9.23) =  93.560%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.35 +/- 1.50  16.847% * 23.3876% (0.15 10.00   0.41   0.02) =   6.438%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.12 +/- 2.35   0.016% *  5.0978% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  13.01 +/- 1.82   0.004% *  1.1451% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  14.08 +/- 1.54   0.002% *  0.4202% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  17.53 +/- 1.77   0.001% *  0.7405% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.96 +/- 1.60   0.001% *  0.3327% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.97, residual support = 14.6:
        T HA    GLN  116 - QD1   ILE  119   2.89 +/- 0.75  99.274% * 99.4587% (0.51 10.00   3.97  14.61) =  99.999%  kept
          HA    VAL   70 - QD1   ILE  119  12.33 +/- 2.71   0.472% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  12.61 +/- 2.31   0.113% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.61 +/- 1.90   0.126% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.51 +/- 2.86   0.009% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  22.08 +/- 2.83   0.003% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.75 +/- 2.50   0.002% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.86, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.65 +/- 2.58  60.103% * 81.6578% (0.96 10.00   0.02   0.02) =  87.024%  kept
        T QD    PHE   72 - QD1   ILE  119   8.14 +/- 2.07  39.897% * 18.3422% (0.21 10.00   0.02   0.02) =  12.976%  kept
    Distance limit 3.26 A violated in 17 structures by 3.70 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.538, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.61 +/- 1.54  56.598% * 23.3518% (0.47   0.02   0.02) =  50.552%  kept
          QE    PHE   72 - QD1   ILE  119   6.89 +/- 2.28  41.782% * 29.0981% (0.59   0.02   0.02) =  46.501%  kept
          HN    ALA   47 - QD1   ILE  119  13.27 +/- 0.98   1.620% * 47.5501% (0.96   0.02   0.02) =   2.946%  kept
    Distance limit 3.31 A violated in 17 structures by 2.41 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.853, support = 1.29, residual support = 10.5:
          HN    HIS  122 - QD1   ILE  119   6.12 +/- 0.89  19.228% * 97.8752% (0.87   1.32  10.21) =  97.640%  kept
          HN    PHE   59 - QD1   ILE  119   4.44 +/- 1.31  80.762% *  0.5631% (0.33   0.02  22.10) =   2.360%  kept
          HH2   TRP   87 - QD1   ILE  119  20.31 +/- 3.88   0.010% *  1.5616% (0.91   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 3 structures by 0.47 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 255.5:
          HN    ILE  119 - QD1   ILE  119   3.78 +/- 0.36  99.955% * 99.2791% (0.95   6.95 255.48) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  16.13 +/- 1.92   0.026% *  0.2436% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  19.60 +/- 1.77   0.006% *  0.2436% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  21.11 +/- 2.92   0.006% *  0.1887% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.95 +/- 2.72   0.006% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.24, residual support = 25.1:
        T QD1   LEU  123 - HA    ALA  120   2.48 +/- 0.59  99.129% * 99.1996% (0.45 10.00   5.24  25.05) =  99.999%  kept
          QG1   VAL   70 - HA    ALA  120   9.85 +/- 3.20   0.626% *  0.1520% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    ALA  120  10.08 +/- 1.96   0.185% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  14.92 +/- 1.84   0.012% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  13.27 +/- 3.99   0.033% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.38 +/- 2.82   0.009% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.78 +/- 1.81   0.005% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.506, support = 3.61, residual support = 19.9:
          HN    LEU  123 - HA    ALA  120   2.66 +/- 0.16  57.287% * 44.9182% (0.80   1.0   3.61  25.05) =  52.818%  kept
      O   HN    ALA  120 - HA    ALA  120   2.81 +/- 0.05  42.201% * 54.4660% (0.18  10.0   3.61  14.04) =  47.179%  kept
          HN    ALA  124 - HA    ALA  120   5.86 +/- 0.27   0.511% *  0.3048% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  21.48 +/- 2.62   0.000% *  0.3110% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.31, residual support = 316.4:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.31 316.35) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  26.75 +/- 3.23   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  14.91 +/- 1.44   0.005% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  25.64 +/- 1.74   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.874, support = 2.79, residual support = 8.0:
          HA    THR  118 - HB2   LYS+ 121   2.43 +/- 0.77  95.174% * 39.4192% (0.87   2.72   8.47) =  92.898%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.75 +/- 0.28   4.801% * 59.7342% (0.97   3.70   1.84) =   7.102%  kept
          HA2   GLY  109 - HB2   LYS+ 121  14.81 +/- 2.05   0.023% *  0.1893% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  24.85 +/- 2.34   0.000% *  0.2556% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.36 +/- 1.43   0.001% *  0.0930% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.47 +/- 2.49   0.000% *  0.3087% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.725, support = 2.06, residual support = 8.43:
        T HA    THR  118 - HB3   LYS+ 121   3.22 +/- 0.46  96.508% * 83.3717% (0.72 10.00   2.05   8.47) =  99.305%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.82 +/- 0.48   3.439% * 16.3850% (0.81  1.00   3.53   1.84) =   0.695%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.51 +/- 2.05   0.051% *  0.0544% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  25.34 +/- 2.58   0.001% *  0.0735% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.30 +/- 2.46   0.000% *  0.0887% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.93 +/- 1.64   0.001% *  0.0267% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.3, residual support = 316.4:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.97 +/- 0.45  99.999% * 99.9582% (0.75  10.0   6.30 316.35) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  24.83 +/- 3.34   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.3, residual support = 50.8:
          HN    HIS  122 - HB3   LYS+ 121   3.94 +/- 0.36  99.926% * 99.5463% (0.75   6.30  50.75) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.72 +/- 0.92   0.070% *  0.1203% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  23.81 +/- 5.52   0.004% *  0.3335% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.47, residual support = 50.8:
          HN    HIS  122 - HB2   LYS+ 121   3.39 +/- 0.23  99.175% * 99.2444% (0.41   7.47  50.75) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.02 +/- 1.20   0.822% *  0.2205% (0.34   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   LYS+ 121  23.54 +/- 5.30   0.002% *  0.3146% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  23.08 +/- 2.61   0.001% *  0.2205% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 6.79, residual support = 316.4:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.25 +/- 0.37 100.000% * 99.9061% (0.92  10.0   6.79 316.35) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  24.14 +/- 3.26   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.366, support = 1.32, residual support = 3.67:
          QD2   LEU   67 - HB2   HIS  122   5.42 +/- 3.64  54.188% * 21.2488% (0.41   0.75   0.75) =  42.862%  kept
          QD1   LEU   40 - HB2   HIS  122   7.10 +/- 4.23  33.305% * 27.2312% (0.20   2.00   2.85) =  33.761%  kept
          QG2   ILE  119 - HB2   HIS  122   5.95 +/- 1.11  12.384% * 50.7061% (0.53   1.40  10.21) =  23.376%  kept
          QD2   LEU   71 - HB2   HIS  122  11.94 +/- 2.99   0.074% *  0.3437% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  13.69 +/- 4.07   0.048% *  0.4701% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.563, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   8.41 +/- 4.86  43.015% * 20.0916% (0.69   0.02   0.02) =  68.663%  kept
          QD2   LEU  115 - HB2   HIS  122   9.08 +/- 1.18  17.872% * 12.0248% (0.41   0.02   0.02) =  17.074%  kept
          QD1   LEU   63 - HB2   HIS  122   7.26 +/- 1.71  38.326% *  4.5130% (0.15   0.02   0.02) =  13.742%  kept
          QD1   LEU   73 - HB2   HIS  122  14.01 +/- 3.09   0.573% *  4.5130% (0.15   0.02   0.02) =   0.205%
          QG2   ILE   89 - HB2   HIS  122  19.46 +/- 2.31   0.094% * 16.5597% (0.57   0.02   0.02) =   0.124%
          QG1   VAL   83 - HB2   HIS  122  21.45 +/- 3.35   0.052% * 29.1845% (1.00   0.02   0.02) =   0.121%
          QD2   LEU   80 - HB2   HIS  122  19.88 +/- 3.09   0.068% * 13.1134% (0.45   0.02   0.02) =   0.071%
    Distance limit 4.02 A violated in 12 structures by 1.65 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.81, residual support = 71.8:
      O   HD2   HIS  122 - HB2   HIS  122   3.46 +/- 0.42  99.872% * 99.8219% (1.00  10.0   3.81  71.79) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.87 +/- 1.54   0.102% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.58 +/- 2.41   0.020% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.01 +/- 2.27   0.006% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.88, residual support = 71.8:
      O   HN    HIS  122 - HB2   HIS  122   3.44 +/- 0.44  99.213% * 99.7165% (0.41  10.0   5.88  71.79) =  99.999%  kept
          QD    PHE   59 - HB2   HIS  122   8.36 +/- 1.26   0.781% *  0.0827% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   HIS  122  24.13 +/- 6.67   0.003% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  21.89 +/- 4.11   0.003% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 71.8:
      O   HD2   HIS  122 - HB3   HIS  122   3.34 +/- 0.57  99.850% * 99.8219% (1.00  10.0   3.80  71.79) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  11.13 +/- 1.57   0.120% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.60 +/- 2.53   0.023% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.03 +/- 2.45   0.007% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 71.8:
      O   HN    HIS  122 - HB3   HIS  122   3.01 +/- 0.40  99.957% * 99.8567% (0.90  10.0   5.88  71.79) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.79 +/- 1.58   0.042% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  24.35 +/- 6.56   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.333, support = 0.794, residual support = 4.18:
        T QD1   LEU   40 - HB3   HIS  122   7.60 +/- 4.23  24.968% * 56.6270% (0.20 10.00   0.62   2.85) =  50.211%  kept
          QG2   ILE  119 - HB3   HIS  122   5.26 +/- 0.83  24.308% * 29.0831% (0.53  1.00   1.20  10.21) =  25.106%  kept
          QD2   LEU   67 - HB3   HIS  122   5.40 +/- 3.68  50.556% * 13.7472% (0.41  1.00   0.73   0.75) =  24.682%  kept
          QD2   LEU   71 - HB3   HIS  122  12.32 +/- 3.07   0.104% *  0.2292% (0.25  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   HIS  122  14.05 +/- 4.00   0.065% *  0.3135% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.14, residual support = 25.1:
          HA    ALA  120 - HG    LEU  123   2.50 +/- 0.83  97.812% * 94.8788% (0.68  1.00   3.14  25.05) =  99.990%  kept
          HA    LYS+ 121 - HG    LEU  123   6.56 +/- 0.56   2.056% *  0.4194% (0.47  1.00   0.02   2.28) =   0.009%
          QB    SER  117 - HG    LEU  123   9.10 +/- 0.72   0.096% *  0.2082% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.65 +/- 2.43   0.025% *  0.5099% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.34 +/- 2.95   0.007% *  0.5475% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.38 +/- 2.09   0.000% *  1.5223% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.56 +/- 1.54   0.001% *  0.4666% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.21 +/- 1.43   0.000% *  0.5296% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.47 +/- 2.20   0.000% *  0.3703% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  30.98 +/- 1.93   0.000% *  0.5475% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 201.3:
          HN    LEU  123 - HG    LEU  123   3.62 +/- 0.29  99.995% * 99.5548% (0.36   5.82 201.29) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  21.37 +/- 2.84   0.004% *  0.1287% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  27.47 +/- 2.74   0.001% *  0.3165% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 25.1:
          HA    ALA  120 - HB3   LEU  123   2.99 +/- 0.80  98.168% * 96.1967% (0.99   3.14  25.05) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.17 +/- 0.72   1.684% *  0.4252% (0.69   0.02   2.28) =   0.008%
          QB    SER  117 - HB3   LEU  123   9.80 +/- 0.84   0.112% *  0.2111% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.07 +/- 2.80   0.026% *  0.5170% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.47 +/- 3.58   0.007% *  0.5551% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.32 +/- 1.69   0.001% *  0.4730% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.17 +/- 1.47   0.000% *  0.5369% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.75 +/- 1.97   0.000% *  0.3754% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.58 +/- 1.84   0.001% *  0.1543% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  31.67 +/- 2.35   0.000% *  0.5551% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.935, support = 5.68, residual support = 180.6:
      O   HN    LEU  123 - HB3   LEU  123   3.06 +/- 0.64  51.586% * 88.3639% (0.98  10.0   5.82 201.29) =  89.053%  kept
          HN    ALA  124 - HB3   LEU  123   3.43 +/- 0.59  48.414% * 11.5742% (0.57   1.0   4.54  12.03) =  10.947%  kept
          HE21  GLN   17 - HB3   LEU  123  21.71 +/- 3.31   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HB2   LEU  123   2.39 +/- 0.62  99.133% * 88.6772% (0.99  1.00   3.14  25.05) =  99.964%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.54 +/- 0.82   0.798% *  3.9194% (0.69 10.00   0.02   2.28) =   0.036%
        T HA    LYS+  65 - HB2   LEU  123  13.91 +/- 2.59   0.013% *  4.7659% (0.84 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   LEU  123   9.23 +/- 0.59   0.051% *  0.1946% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.34 +/- 3.37   0.005% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.73 +/- 1.44   0.001% *  0.4361% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  25.84 +/- 1.25   0.000% *  0.4949% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.37 +/- 1.72   0.000% *  0.3461% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.15 +/- 1.67   0.000% *  0.1423% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  31.18 +/- 2.20   0.000% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 6.1, residual support = 196.6:
      O   HN    LEU  123 - HB2   LEU  123   2.55 +/- 0.54  82.469% * 89.3042% (0.98  10.0   6.15 201.29) =  97.532%  kept
          HN    ALA  124 - HB2   LEU  123   3.93 +/- 0.43  17.530% * 10.6332% (0.57   1.0   4.12  12.03) =   2.468%  kept
          HE21  GLN   17 - HB2   LEU  123  21.54 +/- 3.20   0.001% *  0.0626% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.564, support = 5.22, residual support = 25.0:
        T HA    ALA  120 - QD1   LEU  123   2.48 +/- 0.59  92.755% * 94.3334% (0.57 10.00   5.24  25.05) =  99.655%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.21 +/- 0.82   7.105% *  4.2625% (0.20  1.00   2.59   2.28) =   0.345%
          HA    LYS+  65 - QD1   LEU  123  10.42 +/- 2.33   0.119% *  0.1576% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.39 +/- 2.29   0.017% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.38 +/- 1.69   0.000% *  0.5143% (0.31 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.14 +/- 1.69   0.001% *  0.1273% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.58 +/- 1.53   0.002% *  0.0415% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  23.20 +/- 3.53   0.000% *  0.0943% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.48 +/- 1.43   0.000% *  0.0568% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  25.27 +/- 1.73   0.000% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.12 +/- 1.86   0.001% *  0.0257% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  26.33 +/- 1.84   0.000% *  0.0877% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.8, residual support = 9.19:
      O   HN    ALA  124 - QB    ALA  124   2.32 +/- 0.33  98.794% * 99.6737% (0.57  10.0   1.80   9.19) =  99.998%  kept
          HN    LEU  123 - QB    ALA  124   5.49 +/- 0.40   1.205% *  0.1918% (0.98   1.0   0.02  12.03) =   0.002%
          HE21  GLN   17 - QB    ALA  124  18.62 +/- 2.97   0.001% *  0.1344% (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 = 1.8, residual support = 9.19:
      O   HN    ALA  124 - HA    ALA  124   2.67 +/- 0.28  98.384% * 99.7378% (0.98  10.0   1.80   9.19) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.68 +/- 0.41   1.554% *  0.0906% (0.80   1.0   0.02  12.03) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.88 +/- 0.63   0.056% *  0.0198% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  22.14 +/- 3.50   0.000% *  0.1131% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.46 +/- 2.19   0.004% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  22.36 +/- 6.09   0.001% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  21.09 +/- 4.50   0.001% *  0.0105% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.96 +/- 3.01   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.44, residual support = 46.8:
      O   HN    ALA  124 - HA    LEU  123   2.28 +/- 0.02  78.297% * 55.0021% (0.98  10.0   4.03  12.03) =  81.628%  kept
      O   HN    LEU  123 - HA    LEU  123   2.83 +/- 0.05  21.572% * 44.9320% (0.80  10.0   6.26 201.29) =  18.372%  kept
          HN    ALA  120 - HA    LEU  123   6.69 +/- 0.34   0.131% *  0.0098% (0.18   1.0   0.02  25.05) =   0.000%
          HE21  GLN   17 - HA    LEU  123  19.85 +/- 3.09   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  17.27 +/- 5.33 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.24 A violated in 20 structures by 14.03 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 = 22.5:
      O   HN    ILE  103 - HA    LYS+ 102   2.29 +/- 0.13  99.999% * 99.7350% (0.69  10.0   5.97  22.47) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  23.88 +/- 2.69   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  25.47 +/- 3.75   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.87 +/- 1.08   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.17 +/- 2.10   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.9:
      O   HN    PHE   95 - HA    THR   94   2.30 +/- 0.14 100.000% *100.0000% (0.73  10.0   3.16  14.87) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.04, residual support = 77.5:
      O   HN    LEU   80 - HB2   LEU   80   2.58 +/- 0.44  99.991% * 99.7811% (1.00  10.0   6.04  77.48) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  16.31 +/- 1.18   0.002% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  17.93 +/- 2.61   0.002% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  15.73 +/- 2.41   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.28, residual support = 77.5:
      O   HN    LEU   80 - HB3   LEU   80   3.43 +/- 0.22  99.965% * 99.7811% (1.00  10.0   6.28  77.48) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  17.83 +/- 3.18   0.008% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  17.08 +/- 1.35   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  15.44 +/- 3.06   0.020% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.71, residual support = 77.5:
      O   HA    LEU   80 - HB3   LEU   80   2.59 +/- 0.17  97.148% * 99.6901% (0.98  10.0   4.71  77.48) =  99.997%  kept
          HA    THR   23 - HB3   LEU   80   5.74 +/- 2.10   2.153% *  0.0912% (0.90   1.0   0.02   7.37) =   0.002%
          HB    THR   23 - HB3   LEU   80   7.09 +/- 2.08   0.477% *  0.0912% (0.90   1.0   0.02   7.37) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   7.71 +/- 0.65   0.222% *  0.0617% (0.61   1.0   0.02   3.66) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  22.35 +/- 2.83   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.53, support = 3.8, residual support = 77.5:
      O   QD2   LEU   80 - HB3   LEU   80   2.45 +/- 0.39  71.993% * 77.3053% (0.57  10.0  1.00   3.68  77.48) =  91.500%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.99 +/- 0.31  27.976% * 18.4793% (0.14  10.0  1.00   5.10  77.48) =   8.499%  kept
        T QD1   LEU   73 - HB3   LEU   80   9.97 +/- 2.21   0.020% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  16.33 +/- 2.02   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  18.07 +/- 2.01   0.000% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  19.51 +/- 3.15   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  12.71 +/- 2.60   0.005% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.43 +/- 2.61   0.004% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  19.26 +/- 2.23   0.000% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.632, support = 4.28, residual support = 74.5:
      O   HA    LEU   80 - HG    LEU   80   3.22 +/- 0.57  52.303% * 93.9548% (0.63  10.0   4.41  77.48) =  95.762%  kept
          HA    THR   23 - HG    LEU   80   4.06 +/- 2.54  41.216% *  5.2640% (0.58   1.0   1.22   7.37) =   4.228%  kept
          HB    THR   23 - HG    LEU   80   5.63 +/- 2.57   5.001% *  0.0860% (0.58   1.0   0.02   7.37) =   0.008%
          HA    ASP-  78 - HG    LEU   80   8.16 +/- 1.01   1.194% *  0.0581% (0.39   1.0   0.02   3.66) =   0.001%
          HA    ASP- 105 - HG    LEU   40  10.56 +/- 0.89   0.114% *  0.0467% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  10.77 +/- 1.44   0.069% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.44 +/- 1.38   0.027% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.92 +/- 0.52   0.023% *  0.0293% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  14.05 +/- 0.66   0.015% *  0.0293% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  14.44 +/- 2.18   0.011% *  0.0373% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.82 +/- 1.61   0.010% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  19.52 +/- 1.39   0.002% *  0.0647% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.52 +/- 1.99   0.003% *  0.0320% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.26 +/- 0.67   0.004% *  0.0231% (0.16   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.21 +/- 1.35   0.001% *  0.0647% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  22.69 +/- 3.04   0.001% *  0.0620% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  22.42 +/- 2.32   0.001% *  0.0707% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.01 +/- 1.94   0.002% *  0.0211% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.05 +/- 0.67   0.001% *  0.0198% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.66 +/- 1.28   0.000% *  0.0437% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.194, support = 5.31, residual support = 151.5:
          HN    LEU   73 - HG    LEU   73   3.27 +/- 0.73  48.742% * 44.4802% (0.20   5.69 170.23) =  79.359%  kept
          HN    ILE   19 - HG12  ILE   19   3.55 +/- 0.73  30.871% *  8.3624% (0.03   6.17 172.08) =   9.449%  kept
          HN    VAL   42 - HG    LEU   40   4.94 +/- 1.20   5.685% * 34.5606% (0.37   2.33   1.42) =   7.191%  kept
          HN    VAL   42 - HG    LEU   73   4.55 +/- 1.17  10.904% *  9.9993% (0.20   1.28   1.46) =   3.991%  kept
          HN    LEU   73 - HG12  ILE   19   6.79 +/- 1.30   0.745% *  0.1342% (0.17   0.02   4.00) =   0.004%
          HN    ILE   19 - HG    LEU   73   5.56 +/- 0.89   2.604% *  0.0316% (0.04   0.02   4.00) =   0.003%
          HN    VAL   42 - HG12  ILE   19   8.62 +/- 1.95   0.308% *  0.1342% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - HG    LEU   40   8.90 +/- 1.24   0.085% *  0.2967% (0.37   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  11.43 +/- 0.90   0.017% *  0.3242% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.76 +/- 2.78   0.013% *  0.3943% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.38 +/- 2.96   0.004% *  0.3943% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.68 +/- 0.95   0.014% *  0.0599% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  14.02 +/- 2.83   0.007% *  0.0796% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.47 +/- 1.65   0.003% *  0.1710% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.54 +/- 2.91   0.000% *  0.4309% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.72 +/- 1.93   0.001% *  0.1467% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 173.1:
      O T HA    LYS+  99 - HB3   LYS+  99   2.64 +/- 0.30  94.073% * 97.7927% (0.76  10.0 10.00   5.90 173.09) =  99.995%  kept
          HA    LEU   40 - HB3   LYS+  99   4.44 +/- 0.90   5.883% *  0.0828% (0.65   1.0  1.00   0.02  11.90) =   0.005%
          HA    ASN   35 - HB3   LYS+  99  10.66 +/- 1.03   0.032% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  15.97 +/- 5.75   0.009% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.39 +/- 1.93   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  22.17 +/- 1.71   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.82 +/- 1.74   0.002% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.13 +/- 1.56   0.000% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.76 +/- 1.88   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.85, residual support = 173.1:
      O   HN    LYS+  99 - HB3   LYS+  99   3.13 +/- 0.26  98.976% * 99.4797% (0.31  10.0   3.85 173.09) =  99.999%  kept
          HE1   HIS  122 - HB3   LYS+  99  12.57 +/- 4.46   0.981% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   LYS+  99  12.02 +/- 0.89   0.041% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.46 +/- 1.66   0.002% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.29 +/- 2.14   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.57, residual support = 16.9:
        T QD1   LEU  104 - HB3   LYS+  99   3.11 +/- 1.88  99.624% * 97.0920% (0.41 10.00   1.57  16.88) =  99.997%  kept
        T QG2   ILE   89 - HB3   LYS+  99  18.80 +/- 2.05   0.082% *  2.5195% (0.84 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   LYS+  99  18.26 +/- 3.51   0.095% *  0.2616% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  15.64 +/- 2.29   0.132% *  0.0597% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  17.88 +/- 2.39   0.067% *  0.0672% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 3 structures by 0.57 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.96, residual support = 11.9:
        T QD2   LEU   40 - HB3   LYS+  99   3.21 +/- 0.69  97.641% * 99.5983% (0.76 10.00   1.96  11.90) =  99.998%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.14 +/- 0.66   1.788% *  0.0808% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99   8.81 +/- 1.97   0.545% *  0.0968% (0.73  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   LYS+  99  17.83 +/- 0.97   0.005% *  0.1260% (0.95  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.92 +/- 3.09   0.018% *  0.0332% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.04 +/- 1.35   0.003% *  0.0649% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.56, residual support = 173.1:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.63 +/- 0.17  99.930% * 99.4593% (0.97  10.0   5.56 173.09) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.17 +/- 0.88   0.038% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.67 +/- 1.08   0.006% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  14.79 +/- 5.10   0.017% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.89 +/- 1.56   0.004% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.47 +/- 1.09   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.15 +/- 1.11   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  21.93 +/- 2.67   0.000% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.31 +/- 2.92   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  23.00 +/- 2.82   0.000% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.1:
      O T HB2   LYS+  99 - HA    LYS+  99   2.82 +/- 0.28  99.965% * 99.7492% (0.99  10.0 10.00   7.00 173.09) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.23 +/- 0.95   0.033% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  19.15 +/- 1.60   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  25.33 +/- 1.53   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 = 0.54, support = 5.2, residual support = 182.8:
      O T QD    LYS+  99 - HG3   LYS+  99   2.30 +/- 0.16  59.119% * 20.0954% (0.34  10.0 10.00   5.27 173.09) =  47.360%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.98 +/- 0.16  13.169% * 58.3907% (0.99  10.0  1.00   5.08 173.09) =  30.653%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.22  27.638% * 19.9563% (0.34  10.0 10.00   5.20 217.21) =  21.987%  kept
        T QD    LYS+  99 - HG3   LYS+  38   8.78 +/- 1.67   0.052% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.95 +/- 1.26   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  14.59 +/- 3.20   0.004% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.70 +/- 1.51   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.28 +/- 1.30   0.011% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.49 +/- 2.00   0.001% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  25.56 +/- 3.15   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.79 +/- 1.54   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  22.71 +/- 2.94   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  15.49 +/- 2.64   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.26 +/- 1.50   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.86 +/- 1.26   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.09 +/- 3.19   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.39 +/- 1.08   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  29.10 +/- 3.26   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 173.1:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.47 +/- 0.16  99.885% * 97.9462% (0.99  10.0 10.00   6.44 173.09) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89  12.34 +/- 2.87   0.014% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.86 +/- 0.86   0.004% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.32 +/- 1.56   0.032% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.57 +/- 1.85   0.064% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  23.28 +/- 3.26   0.000% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.66 +/- 1.72   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.76 +/- 1.17   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.82 +/- 1.49   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.58 +/- 2.70   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.51 +/- 2.10   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  29.53 +/- 1.59   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 123.1:
    * O   HA    GLN  116 - HG3   GLN  116   3.32 +/- 0.38  99.986% * 99.5202% (1.00  10.0   5.52 123.06) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  19.73 +/- 2.68   0.004% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.06 +/- 2.19   0.004% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.26 +/- 2.84   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  21.32 +/- 2.24   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.32 +/- 2.82   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.46 +/- 2.49   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.10 +/- 2.06   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  32.04 +/- 2.21   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.05, residual support = 123.1:
      O   HB2   GLN  116 - HG3   GLN  116   2.34 +/- 0.16  99.938% * 99.6757% (0.98  10.0   6.05 123.06) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.20 +/- 1.74   0.061% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.48 +/- 2.21   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.80 +/- 2.48   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.86 +/- 1.88   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.98 +/- 1.85   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.08, residual support = 100.5:
          QD2   LEU  115 - HG3   GLN  116   4.26 +/- 1.14  84.001% * 98.8153% (0.97   7.08 100.55) =  99.968%  kept
          QD1   LEU   63 - HG3   GLN  116   8.57 +/- 2.59  12.302% *  0.1987% (0.69   0.02   0.02) =   0.029%
          QD2   LEU   63 - HG3   GLN  116   8.79 +/- 2.38   3.669% *  0.0446% (0.15   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG3   GLN  116  16.15 +/- 1.97   0.019% *  0.2836% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.59 +/- 1.46   0.005% *  0.1987% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.38 +/- 1.45   0.002% *  0.2836% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.98 +/- 2.01   0.002% *  0.1755% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 3 structures by 0.58 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.46, residual support = 123.1:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.46 123.06) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.21 +/- 1.53   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  33.82 +/- 2.30   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.04, residual support = 123.1:
      O   HE21  GLN  116 - HG3   GLN  116   3.44 +/- 0.23  97.392% * 99.6819% (0.69  10.0   4.04 123.06) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.69 +/- 0.71   2.446% *  0.0448% (0.31   1.0   0.02   0.43) =   0.001%
          HN    ALA   57 - HG3   GLN  116  10.78 +/- 1.25   0.161% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  27.35 +/- 2.67   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.61 +/- 2.57   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.688, support = 7.67, residual support = 122.4:
          HN    GLN  116 - HG3   GLN  116   3.71 +/- 0.37  94.470% * 83.3098% (0.69   7.71 123.06) =  99.452%  kept
          HN    THR  118 - HG3   GLN  116   7.05 +/- 0.64   2.668% * 16.1439% (0.92   1.11   0.02) =   0.544%  kept
          HN    GLU- 114 - HG3   GLN  116   7.05 +/- 0.97   2.481% *  0.0785% (0.25   0.02   0.31) =   0.002%
          HN    PHE   60 - HG3   GLN  116  10.46 +/- 1.36   0.380% *  0.3147% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  25.08 +/- 2.48   0.002% *  0.1532% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.59, residual support = 177.3:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.970% * 88.2996% (1.00  10.0 10.00   6.61 173.09) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.970% *  8.9120% (0.10  10.0 10.00   6.43 219.04) =   9.168%  kept
          QB    ALA   84 - HG12  ILE   89   4.19 +/- 1.35   1.690% *  0.0063% (0.07   1.0  1.00   0.02  13.39) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.74 +/- 1.48   0.005% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.74 +/- 0.49   0.145% *  0.0247% (0.28   1.0  1.00   0.02   8.07) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.66 +/- 1.86   0.186% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   8.11 +/- 1.67   0.012% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.76 +/- 2.13   0.010% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.54 +/- 1.08   0.007% *  0.0221% (0.25   1.0  1.00   0.02  18.51) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  18.31 +/- 3.31   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.10 +/- 5.44   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.23 +/- 1.48   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.67 +/- 2.21   0.002% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.55 +/- 3.16   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.67 +/- 2.47   0.000% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.69 +/- 1.34   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.66 +/- 1.03   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.55 +/- 0.98   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  18.41 +/- 3.03   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.15 +/- 1.78   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  17.41 +/- 3.49   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.84 +/- 0.95   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.58 +/- 2.81   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  20.15 +/- 2.24   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.68 +/- 3.06   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.72 +/- 5.75   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  24.88 +/- 3.23   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  22.65 +/- 2.07   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.91 +/- 0.93   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  27.96 +/- 3.34   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.73 +/- 1.45   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.77 +/- 1.05   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  27.37 +/- 2.73   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.98 +/- 3.48   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.59 +/- 3.46   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.61 +/- 1.23   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.75 +/- 3.41   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.81 +/- 2.53   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.11 +/- 1.84   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1733
      with multiple volume contributions     :    498
      eliminated by violation filter         :    106
 
    Peaks:
      selected                               :   2700
      without assignment                     :    130
      with assignment                        :   2570
      with unique assignment                 :   2015
      with multiple assignment               :    555
      with reference assignment              :   1605
      with identical reference assignment    :   1268
      with compatible reference assignment   :    329
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    965
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.9
    QD2   LEU   40       3.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   60       4.1
    HN    LYS+  65       6.0
    HZ    PHE   72       3.0
    HA    LEU   73       3.0
    QD1   ILE   89       3.1
    HB3   MET   96       3.0
    HA    THR  118       5.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 72.0:
        T HA    PHE   60 - QD    PHE   60   2.68 +/- 0.49  99.808% * 98.3426% (0.87 10.00   3.94  72.02) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.22 +/- 0.93   0.022% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  11.02 +/- 1.43   0.031% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.63 +/- 1.23   0.090% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.91 +/- 1.00   0.019% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.62 +/- 0.89   0.009% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.21 +/- 1.13   0.022% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 1.04, residual support = 74.3:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.674% * 99.2742% (0.69  10.0   1.04  74.34) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.55 +/- 0.35   0.319% *  0.1680% (0.61   1.0   0.02  74.34) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.31 +/- 1.36   0.006% *  0.0855% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  25.53 +/- 5.18   0.000% *  0.2116% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  23.11 +/- 3.78   0.000% *  0.1039% (0.38   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  26.08 +/- 6.47   0.000% *  0.1568% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  19.39 +/- 1.61 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.01 A violated in 20 structures by 14.37 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.16, residual support = 4.91:
          QB    ALA   20 - HE1   HIS   22   4.04 +/- 0.18  99.977% * 93.6434% (0.76   1.16   4.91) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  20.94 +/- 1.11   0.005% *  2.0062% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.24 +/- 0.84   0.013% *  0.5288% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  25.20 +/- 1.27   0.002% *  1.1158% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.96 +/- 1.68   0.001% *  2.1161% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  24.35 +/- 1.94   0.002% *  0.5897% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.334, support = 5.02, residual support = 46.0:
          HN    ASN   28 - HD1   TRP   27   3.56 +/- 0.44  92.564% * 36.2923% (0.25   5.37  51.90) =  88.513%  kept
          HN    GLU-  25 - HD1   TRP   27   5.84 +/- 0.85   6.905% * 63.0923% (0.99   2.35   0.27) =  11.479%  kept
          HN    ASP-  44 - HD1   TRP   27   9.10 +/- 1.12   0.528% *  0.5318% (0.98   0.02   0.02) =   0.007%
          HN    ALA  110 - HD1   TRP   27  20.90 +/- 2.16   0.003% *  0.0837% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 101.9:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.00 101.93) = 100.000%  kept
    Distance limit 3.82 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 = 1.56, residual support = 101.9:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9801% (0.89  10.0   1.56 101.93) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.38 +/- 1.30   0.002% *  0.0199% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 3.91, residual support = 101.9:
          HA    TRP   27 - HE3   TRP   27   2.78 +/- 0.84  99.937% * 98.4486% (0.96   3.91 101.93) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  17.26 +/- 2.16   0.026% *  0.5170% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.41 +/- 1.29   0.006% *  0.4815% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.24 +/- 1.69   0.012% *  0.0749% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.58 +/- 0.81   0.006% *  0.0783% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.90 +/- 1.21   0.002% *  0.1958% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  20.61 +/- 2.78   0.003% *  0.0805% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.07 +/- 2.02   0.001% *  0.0804% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.77 +/- 1.33   0.002% *  0.0305% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.33 +/- 3.49   0.005% *  0.0125% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 101.9:
      O   HB3   TRP   27 - HE3   TRP   27   2.86 +/- 0.25  99.913% * 98.0783% (0.17  10.0   4.50 101.93) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  14.02 +/- 1.43   0.010% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.42 +/- 1.28   0.033% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  16.42 +/- 1.48   0.004% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.70 +/- 1.76   0.003% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.82 +/- 1.41   0.010% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.49 +/- 2.35   0.004% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.58 +/- 1.31   0.020% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.14 +/- 2.23   0.002% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.02 +/- 1.23   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.802, support = 1.43, residual support = 10.2:
          QG1   VAL   43 - HE3   TRP   27   4.60 +/- 0.87  32.834% * 67.8079% (0.99   1.50   6.83) =  72.381%  kept
          QD2   LEU   73 - HE3   TRP   27   4.52 +/- 0.96  33.239% * 18.8531% (0.28   1.50  20.11) =  20.373%  kept
          HG    LEU   31 - HE3   TRP   27   5.02 +/- 1.26  23.117% *  9.4109% (0.41   0.51  15.85) =   7.073%  kept
          QG1   VAL   41 - HE3   TRP   27   7.09 +/- 1.37   3.564% *  0.8552% (0.94   0.02   0.02) =   0.099%
          QD1   ILE   19 - HE3   TRP   27   7.03 +/- 1.18   3.178% *  0.4401% (0.48   0.02   0.02) =   0.045%
          QG2   VAL   18 - HN    LEU   67   6.95 +/- 0.78   2.504% *  0.1299% (0.14   0.02   0.02) =   0.011%
          QG2   VAL   18 - HE3   TRP   27   9.98 +/- 0.92   0.307% *  0.8346% (0.91   0.02   0.02) =   0.008%
          QG2   THR   46 - HE3   TRP   27  10.15 +/- 1.19   0.336% *  0.7552% (0.83   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    LEU   67  11.04 +/- 1.36   0.184% *  0.0685% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.44 +/- 2.31   0.248% *  0.0480% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67   9.85 +/- 0.60   0.277% *  0.0391% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  14.00 +/- 1.90   0.033% *  0.3084% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.34 +/- 0.67   0.066% *  0.1407% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  12.60 +/- 0.58   0.057% *  0.1331% (0.15   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.59 +/- 1.60   0.049% *  0.1175% (0.13   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.39 +/- 1.40   0.006% *  0.0578% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.409, support = 5.78, residual support = 18.9:
          QD1   LEU   73 - HE3   TRP   27   2.39 +/- 0.82  86.044% * 56.7670% (0.37   6.17  20.11) =  90.298%  kept
          QD2   LEU   80 - HE3   TRP   27   6.25 +/- 3.21  12.693% * 41.3192% (0.76   2.20   7.82) =   9.695%  kept
          QG1   VAL   83 - HE3   TRP   27   7.98 +/- 3.76   0.748% *  0.4400% (0.89   0.02   1.62) =   0.006%
          QD1   LEU  104 - HN    LEU   67  11.49 +/- 2.20   0.127% *  0.0722% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   67   6.56 +/- 0.35   0.320% *  0.0286% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27  11.65 +/- 1.99   0.016% *  0.1364% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.31 +/- 1.81   0.004% *  0.4641% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.33 +/- 1.42   0.029% *  0.0554% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.07 +/- 1.78   0.008% *  0.1841% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.65 +/- 2.28   0.001% *  0.3562% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.05 +/- 0.58   0.008% *  0.0286% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.04 +/- 1.81   0.001% *  0.0583% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  20.38 +/- 2.54   0.000% *  0.0685% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  19.18 +/- 1.84   0.001% *  0.0212% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.717, support = 0.518, residual support = 1.17:
          QG2   VAL   75 - HE3   TRP   27   4.42 +/- 1.10  88.324% * 77.2703% (0.72   0.52   1.18) =  98.630%  kept
          QG2   VAL   42 - HE3   TRP   27   8.71 +/- 1.05   4.203% * 21.9115% (0.56   0.19   0.02) =   1.331%  kept
          QG2   VAL   42 - HN    LEU   67   7.41 +/- 0.64   7.312% *  0.3584% (0.09   0.02   0.02) =   0.038%
          QG2   VAL   75 - HN    LEU   67  13.87 +/- 0.72   0.160% *  0.4597% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 2.4, residual support = 34.3:
      O T HB2   HIS   22 - HD2   HIS   22   3.56 +/- 0.53  99.995% * 99.9216% (0.92  10.0 10.00   2.40  34.25) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  20.44 +/- 0.66   0.004% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  27.12 +/- 2.09   0.001% *  0.0214% (0.20   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 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.01, residual support = 34.3:
      O T HB3   HIS   22 - HD2   HIS   22   3.25 +/- 0.49  99.998% * 99.8217% (0.45  10.0 10.00   3.01  34.25) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  23.88 +/- 3.94   0.002% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.04 +/- 0.68  60.525% * 29.7119% (0.92   0.02   0.02) =  80.720%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.53 +/- 1.68   9.450% * 19.5221% (0.61   0.02   0.02) =   8.280%  kept
          HB2   PHE   72 - HD2   HIS   22  12.94 +/- 0.73  25.339% *  4.9662% (0.15   0.02   0.02) =   5.648%  kept
          QB    CYS   50 - HD2   HIS   22  18.51 +/- 1.83   3.340% * 28.8658% (0.90   0.02   0.02) =   4.328%  kept
          HB3   ASN   69 - HD2   HIS   22  21.20 +/- 1.30   1.347% * 16.9340% (0.53   0.02   0.02) =   1.024%  kept
    Distance limit 5.05 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.02, residual support = 4.91:
        T QB    ALA   20 - HD2   HIS   22   4.45 +/- 0.15  99.948% * 98.9678% (0.28 10.00   2.02   4.91) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  20.16 +/- 0.77   0.012% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  22.39 +/- 1.56   0.007% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  17.33 +/- 0.79   0.030% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.47 +/- 1.76   0.002% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  28.86 +/- 2.61   0.002% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.40 +/- 1.63 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.00 A violated in 20 structures by 13.41 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.68, residual support = 4.67:
          HA    CYS   21 - HD2   HIS   22   3.77 +/- 0.22  99.977% * 96.9135% (0.95   2.68   4.67) = 100.000%  kept
          HA    TRP   49 - HD2   HIS   22  22.10 +/- 2.68   0.003% *  0.7651% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  17.72 +/- 2.01   0.011% *  0.2127% (0.28   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  22.02 +/- 2.33   0.003% *  0.7238% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  26.71 +/- 2.87   0.002% *  0.7384% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  24.68 +/- 1.81   0.002% *  0.4950% (0.65   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  23.64 +/- 1.74   0.002% *  0.1514% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 3.22, residual support = 51.6:
          HA    ASN   28 - HD1   TRP   27   4.15 +/- 0.86  94.925% * 79.3912% (1.00   3.23  51.90) =  98.989%  kept
          HA    THR   26 - HD1   TRP   27   7.33 +/- 0.57   4.220% * 18.2073% (0.28   2.66  22.36) =   1.009%  kept
          HA    LYS+  81 - HD1   TRP   27  11.76 +/- 2.51   0.579% *  0.0976% (0.20   0.02   0.02) =   0.001%
          HA    ALA   34 - HD1   TRP   27  13.06 +/- 1.08   0.115% *  0.4551% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.25 +/- 4.26   0.113% *  0.3768% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  21.41 +/- 1.83   0.009% *  0.4886% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  21.69 +/- 2.52   0.011% *  0.3386% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.11 +/- 1.25   0.023% *  0.0667% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.64 +/- 1.50   0.004% *  0.2990% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  28.80 +/- 4.34   0.001% *  0.2791% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.25, residual support = 23.2:
          HA    VAL   24 - HD1   TRP   27   3.01 +/- 0.80  99.969% * 99.5343% (1.00   5.25  23.20) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  16.27 +/- 1.18   0.024% *  0.2609% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  17.85 +/- 1.22   0.005% *  0.0752% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.28 +/- 1.14   0.002% *  0.1296% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 101.9:
      O T HB2   TRP   27 - HD1   TRP   27   2.72 +/- 0.24  99.946% * 99.7544% (0.65  10.0 10.00   3.66 101.93) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27   9.88 +/- 1.61   0.052% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  17.65 +/- 1.71   0.002% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 101.9:
      O T HB3   TRP   27 - HD1   TRP   27   3.66 +/- 0.13  99.946% * 99.6316% (0.73  10.0 10.00   4.09 101.93) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  16.34 +/- 2.28   0.021% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  16.44 +/- 1.82   0.017% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.20 +/- 1.46   0.016% *  0.1049% (0.76   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 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 2.92, residual support = 23.2:
          QG2   VAL   24 - HD1   TRP   27   2.65 +/- 1.12  75.012% * 71.2513% (0.76  1.00   2.97  23.20) =  89.906%  kept
          QG1   VAL   24 - HD1   TRP   27   3.86 +/- 1.02  24.979% * 24.0228% (0.31  1.00   2.48  23.20) =  10.094%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.05 +/- 1.61   0.005% *  4.0650% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  19.42 +/- 2.22   0.004% *  0.3811% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  25.55 +/- 3.44   0.000% *  0.1399% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  26.38 +/- 2.98   0.000% *  0.1399% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.752, support = 2.88, residual support = 8.2:
          QG1   VAL   83 - HD1   TRP   27   5.09 +/- 3.55  44.131% * 29.3799% (0.80   2.31   1.62) =  39.961%  kept
          QD2   LEU   80 - HD1   TRP   27   4.85 +/- 2.50  28.180% * 42.2977% (0.87   3.07   7.82) =  36.737%  kept
          QD1   LEU   73 - HD1   TRP   27   5.48 +/- 1.25  27.468% * 27.5239% (0.49   3.56  20.11) =  23.301%  kept
          QD1   LEU  104 - HD1   TRP   27  15.32 +/- 2.07   0.040% *  0.3152% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  10.67 +/- 1.67   0.134% *  0.0629% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.66 +/- 2.02   0.034% *  0.1548% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  18.76 +/- 2.40   0.013% *  0.2656% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.821, support = 1.25, residual support = 10.9:
          QD2   LEU   31 - HD1   TRP   27   4.71 +/- 0.95  53.674% * 60.4037% (0.73   1.54  15.85) =  65.175%  kept
          QG2   VAL   83 - HD1   TRP   27   5.82 +/- 3.02  44.809% * 38.6281% (1.00   0.72   1.62) =  34.795%  kept
          QD1   ILE   89 - HD1   TRP   27  10.16 +/- 2.77   1.517% *  0.9682% (0.90   0.02   0.02) =   0.030%
    Distance limit 4.54 A violated in 1 structures by 0.17 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.32, residual support = 101.9:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.993% * 99.7536% (0.28  10.0 10.00   1.32 101.93) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  12.90 +/- 1.22   0.007% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.1, residual support = 101.9:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 101.93) = 100.000%  kept
    Distance limit 5.05 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 = 1.56, residual support = 101.9:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.943% * 99.6546% (1.00  10.0   1.56 101.93) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.83 +/- 0.99   0.035% *  0.0774% (0.61   1.0   0.02   1.06) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.51 +/- 1.29   0.013% *  0.0826% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  14.91 +/- 3.09   0.007% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.38 +/- 1.30   0.002% *  0.0318% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  20.18 +/- 1.40   0.000% *  0.1251% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 1.28, residual support = 6.91:
        T QG1   VAL   43 - HH2   TRP   27   2.28 +/- 0.57  86.652% * 92.9666% (0.92 10.00   1.28   6.83) =  99.127%  kept
          HG    LEU   31 - HH2   TRP   27   4.75 +/- 1.71  10.898% *  6.4775% (0.65  1.00   1.27  15.85) =   0.869%  kept
          QG1   VAL   41 - HH2   TRP   27   5.54 +/- 1.52   1.855% *  0.1576% (1.00  1.00   0.02   0.02) =   0.004%
          QD2   LEU   73 - HH2   TRP   27   5.74 +/- 1.15   0.522% *  0.0769% (0.49  1.00   0.02  20.11) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.94 +/- 1.30   0.020% *  0.0958% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.58 +/- 1.13   0.026% *  0.0439% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.42 +/- 1.25   0.007% *  0.1147% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.03 +/- 2.11   0.019% *  0.0277% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.97 +/- 1.21   0.002% *  0.0394% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.914, support = 2.39, residual support = 7.12:
        T QG1   VAL   43 - HZ3   TRP   27   3.14 +/- 0.84  61.467% * 90.2697% (0.92 10.00   2.40   6.83) =  97.412%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.39 +/- 1.29  18.746% *  4.1603% (0.49  1.00   1.75  20.11) =   1.369%  kept
          HG    LEU   31 - HZ3   TRP   27   4.86 +/- 1.84  13.046% *  5.2734% (0.65  1.00   1.67  15.85) =   1.208%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.79 +/- 1.86   5.972% *  0.0976% (1.00  1.00   0.02   0.02) =   0.010%
          QD1   ILE   19 - HZ3   TRP   27   7.78 +/- 1.46   0.482% *  0.0272% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HZ3   TRP   27  10.38 +/- 1.54   0.162% *  0.0593% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.04 +/- 1.14   0.100% *  0.0710% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.21 +/- 2.11   0.018% *  0.0171% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.83 +/- 1.27   0.007% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.894, support = 2.32, residual support = 20.0:
        T QD1   LEU   73 - HZ3   TRP   27   2.68 +/- 1.12  59.910% * 93.9386% (0.90 10.00   2.32  20.11) =  99.176%  kept
          QD2   LEU   80 - HZ3   TRP   27   7.74 +/- 3.35   9.991% *  4.5905% (0.53  1.00   1.67   7.82) =   0.808%  kept
          QG2   VAL   41 - HZ3   TRP   27   3.95 +/- 2.18  27.259% *  0.0291% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU   98 - HZ3   TRP   27   6.00 +/- 1.91   2.125% *  0.0162% (0.15  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HZ3   TRP   27  11.06 +/- 1.74   0.029% *  0.9394% (0.90 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  11.53 +/- 1.92   0.034% *  0.3233% (0.31 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HZ3   TRP   27   9.46 +/- 3.34   0.640% *  0.0162% (0.15  1.00   0.02   7.82) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.94 +/- 1.67   0.011% *  0.0875% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  15.66 +/- 2.16   0.002% *  0.0593% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 1.8, residual support = 15.8:
        T QD2   LEU   31 - HZ3   TRP   27   3.19 +/- 1.64  85.207% * 98.6641% (0.76 10.00   1.80  15.85) =  99.795%  kept
          QG2   VAL   83 - HZ3   TRP   27   8.60 +/- 3.94  14.173% *  1.2117% (1.00  1.00   0.17   1.62) =   0.204%
          QD1   ILE   89 - HZ3   TRP   27  11.30 +/- 3.36   0.620% *  0.1242% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 3 structures by 0.37 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 2.75, residual support = 15.7:
          QD2   LEU   31 - HH2   TRP   27   3.50 +/- 1.32  85.512% * 91.9358% (0.76   2.78  15.85) =  98.723%  kept
          QG2   VAL   83 - HH2   TRP   27   8.21 +/- 3.91  13.831% *  7.3143% (1.00   0.17   1.62) =   1.270%  kept
          QD1   ILE   89 - HH2   TRP   27  10.51 +/- 3.31   0.656% *  0.7499% (0.87   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.976, support = 2.25, residual support = 19.3:
          QD1   LEU   73 - HH2   TRP   27   4.15 +/- 0.86  21.896% * 65.1658% (1.00   2.31  20.11) =  94.328%  kept
          QD2   LEU   80 - HH2   TRP   27   8.40 +/- 3.06   2.134% * 31.4341% (0.76   1.46   7.82) =   4.435%  kept
          QG1   VAL   83 - HH2   TRP   27   8.74 +/- 4.13   7.944% *  1.6698% (0.15   0.38   1.62) =   0.877%  kept
          QG2   VAL   41 - HH2   TRP   27   3.51 +/- 1.85  66.950% *  0.0764% (0.14   0.02   0.02) =   0.338%
          QD1   LEU  104 - HH2   TRP   27  10.65 +/- 1.91   0.978% *  0.2969% (0.53   0.02   0.02) =   0.019%
          QD1   LEU   63 - HH2   TRP   27  11.29 +/- 1.81   0.063% *  0.5630% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HH2   TRP   27  12.18 +/- 1.73   0.030% *  0.3422% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  15.65 +/- 2.08   0.005% *  0.4518% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.32, residual support = 101.9:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 101.93) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 2.52, residual support = 51.3:
          HD21  ASN   28 - HZ2   TRP   27   5.75 +/- 1.04  42.818% * 98.1449% (0.87   2.55  51.90) =  98.834%  kept
          HZ2   TRP   87 - HZ2   TRP   27   7.56 +/- 6.33  56.811% *  0.8694% (0.98   0.02   0.02) =   1.162%  kept
          QE    PHE   60 - HZ2   TRP   27  11.91 +/- 1.42   0.330% *  0.6092% (0.69   0.02   0.02) =   0.005%
          HN    LEU   63 - HZ2   TRP   27  17.61 +/- 1.17   0.029% *  0.2212% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.31 +/- 1.20   0.012% *  0.1553% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.49, residual support = 101.9:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.49 101.93) = 100.000%  kept
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27   8.73 +/- 5.06 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 4.72 A violated in 15 structures by 4.01 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.756, support = 2.06, residual support = 9.93:
        T QG2   VAL   43 - HZ2   TRP   27   3.21 +/- 1.07  66.635% * 48.8848% (0.90 10.00   1.04   6.83) =  65.636%  kept
        T QD2   LEU   31 - HZ2   TRP   27   3.75 +/- 0.70  33.365% * 51.1152% (0.49 10.00   4.01  15.85) =  34.364%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.905, support = 0.932, residual support = 6.09:
        T QD1   ILE   89 - QD    PHE   45   4.41 +/- 2.51  58.623% * 87.2519% (0.90 10.00   0.91   6.43) =  92.251%  kept
          QG2   VAL   83 - QD    PHE   45   5.10 +/- 2.28  34.029% * 12.5930% (1.00  1.00   1.18   2.11) =   7.729%  kept
          QD2   LEU   31 - QD    PHE   45   8.37 +/- 0.69   7.348% *  0.1550% (0.73  1.00   0.02   0.02) =   0.021%
    Distance limit 4.10 A violated in 2 structures by 0.57 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 2.17, residual support = 4.69:
          QD1   ILE   89 - QE    PHE   45   4.79 +/- 2.59  36.721% * 68.2850% (0.97   2.78   6.43) =  59.712%  kept
          QG2   VAL   83 - QE    PHE   45   4.17 +/- 2.71  53.776% * 31.4064% (0.98   1.26   2.11) =  40.218%  kept
          QD2   LEU   31 - QE    PHE   45   7.00 +/- 0.80   9.503% *  0.3086% (0.61   0.02   0.02) =   0.070%
    Distance limit 4.01 A violated in 2 structures by 0.61 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   2.61 +/- 0.54  99.946% * 99.9034% (1.00 10.00   2.96  17.85) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.36 +/- 1.49   0.054% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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   4.00 +/- 0.82  95.807% * 99.7392% (0.99 10.00   2.00  17.85) =  99.998%  kept
          HG3   LYS+  74 - QD    PHE   45   8.51 +/- 0.59   1.671% *  0.0378% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   9.74 +/- 1.15   0.985% *  0.0490% (0.49  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    PHE   45  10.07 +/- 0.60   0.634% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.56 +/- 0.94   0.269% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  11.79 +/- 1.55   0.473% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.96 +/- 1.02   0.161% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 2 structures by 0.16 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.627, support = 2.34, residual support = 9.01:
        T QG2   THR   77 - QD    PHE   45   3.15 +/- 0.49  85.591% * 76.1631% (0.65 10.00   2.25   8.54) =  95.664%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.49 +/- 0.09  12.676% * 23.2995% (0.20 10.00   4.41  19.26) =   4.334%  kept
          HB3   LEU   80 - QD    PHE   45   7.53 +/- 1.92   1.236% *  0.0442% (0.38  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    PHE   45   8.87 +/- 1.78   0.353% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD    PHE   45  14.16 +/- 1.91   0.035% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  10.91 +/- 1.09   0.072% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.45 +/- 0.85   0.030% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.44 +/- 0.71   0.005% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.64 +/- 0.64   0.002% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.766, support = 0.75, residual support = 26.2:
          QG2   THR   94 - QD    PHE   45   3.91 +/- 0.88  83.223% * 67.1270% (0.80   0.75  27.71) =  92.869%  kept
          HG12  ILE   89 - QD    PHE   45   6.49 +/- 2.51  16.563% * 25.8744% (0.31   0.75   6.43) =   7.124%  kept
          HB3   LEU   71 - QD    PHE   45  12.85 +/- 0.63   0.084% *  2.2157% (0.99   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - QD    PHE   45  15.80 +/- 2.64   0.044% *  2.2355% (1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - QD    PHE   45  15.86 +/- 1.87   0.029% *  1.7084% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  14.06 +/- 1.61   0.058% *  0.8390% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.62 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   3.03 +/- 0.35  99.946% * 99.9191% (0.90 10.00   2.31  17.85) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.74 +/- 1.64   0.054% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.547, support = 0.512, residual support = 4.79:
          HB    ILE   89 - QE    PHE   45   6.80 +/- 2.49   5.031% * 93.9050% (0.61   0.68   6.43) =  74.469%  kept
          HB    VAL   43 - QE    PHE   45   3.02 +/- 1.00  94.487% *  1.7085% (0.38   0.02   0.02) =  25.446%  kept
          QD    LYS+  81 - QE    PHE   45  10.85 +/- 1.30   0.246% *  1.4050% (0.31   0.02   0.02) =   0.054%
          QG1   ILE   56 - QE    PHE   45  10.91 +/- 1.82   0.179% *  0.7024% (0.15   0.02   0.02) =   0.020%
          HB3   LYS+  99 - QE    PHE   45  13.62 +/- 0.60   0.033% *  1.0135% (0.22   0.02   0.02) =   0.005%
          HB2   LYS+  99 - QE    PHE   45  13.86 +/- 0.77   0.025% *  1.2657% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.75 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 = 9.54:
          HB3   MET   96 - QE    PHE   45   4.40 +/- 1.62  97.124% * 93.6215% (0.45   2.00   9.54) =  99.956%  kept
          HB    VAL   18 - QE    PHE   45  12.45 +/- 1.16   1.551% *  1.4345% (0.69   0.02   0.02) =   0.024%
          HB2   LEU   40 - QE    PHE   45  13.21 +/- 0.65   0.543% *  1.7443% (0.84   0.02   0.02) =   0.010%
          HB3   ARG+  54 - QE    PHE   45  15.94 +/- 1.27   0.205% *  1.9278% (0.92   0.02   0.02) =   0.004%
          HB2   LEU   67 - QE    PHE   45  14.47 +/- 0.84   0.367% *  0.8586% (0.41   0.02   0.02) =   0.003%
          HB3   GLU-  14 - QE    PHE   45  18.68 +/- 2.11   0.210% *  0.4133% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 4 structures by 0.52 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.94, residual support = 9.5:
        T HB2   MET   96 - QE    PHE   45   4.54 +/- 1.56  88.074% * 88.9858% (0.22 10.00   1.95   9.54) =  99.544%  kept
          HB3   ASP-  76 - QE    PHE   45   9.32 +/- 0.55   3.897% *  8.5259% (0.73  1.00   0.57   0.02) =   0.422%
        T HB3   PHE   72 - QE    PHE   45  10.31 +/- 0.70   2.047% *  0.7183% (0.18 10.00   0.02   0.02) =   0.019%
          HG3   MET   92 - QE    PHE   45  10.76 +/- 0.89   1.075% *  0.3958% (0.97  1.00   0.02   0.02) =   0.005%
          QG    GLN   90 - QE    PHE   45   9.49 +/- 1.46   3.197% *  0.0913% (0.22  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QE    PHE   45  13.11 +/- 1.11   0.647% *  0.3678% (0.90  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QE    PHE   45  11.91 +/- 1.63   0.583% *  0.3786% (0.92  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - QE    PHE   45  14.22 +/- 2.21   0.156% *  0.2158% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.99 +/- 0.99   0.064% *  0.2653% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  16.68 +/- 1.69   0.260% *  0.0555% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 4 structures by 0.44 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.1:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.256% * 99.8696% (0.53  10.0 10.00   1.00  80.10) =  99.999%  kept
          HZ3   TRP   27 - QE    PHE   45   6.13 +/- 1.33   0.744% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 80.1:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.51  80.10) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  14.28 +/- 2.35   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  20.25 +/- 1.74   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.09 +/- 1.39   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.54:
          HB3   MET   96 - QD    PHE   45   5.49 +/- 1.10  95.363% * 96.5076% (0.80   2.00   9.54) =  99.974%  kept
          HB    VAL   18 - QD    PHE   45  11.64 +/- 1.06   2.553% *  0.4112% (0.34   0.02   0.02) =   0.011%
          HB2   LEU   40 - QD    PHE   45  14.23 +/- 0.54   0.499% *  1.2054% (1.00   0.02   0.02) =   0.007%
          HB3   ARG+  54 - QD    PHE   45  13.81 +/- 1.25   0.771% *  0.7311% (0.61   0.02   0.02) =   0.006%
          HB2   LEU   67 - QD    PHE   45  14.23 +/- 0.91   0.638% *  0.1860% (0.15   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD    PHE   45  18.89 +/- 2.10   0.162% *  0.5867% (0.49   0.02   0.02) =   0.001%
          HG3   MET   11 - QD    PHE   45  26.76 +/- 2.64   0.014% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 7 structures by 0.73 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.871, support = 1.93, residual support = 8.92:
          HB2   MET   96 - QD    PHE   45   5.82 +/- 1.03  78.851% * 63.6502% (0.87   2.00   9.54) =  93.491%  kept
          HB3   ASP-  76 - QD    PHE   45   8.33 +/- 0.45  10.224% * 33.8672% (0.92   1.00   0.02) =   6.450%  kept
          HG3   MET   92 - QD    PHE   45   9.06 +/- 0.79   7.092% *  0.2503% (0.34   0.02   0.02) =   0.033%
          HB2   ASP- 105 - QD    PHE   45  12.04 +/- 1.16   1.469% *  0.5328% (0.73   0.02   0.02) =   0.015%
          HB    VAL   70 - QD    PHE   45  13.64 +/- 0.70   0.714% *  0.3290% (0.45   0.02   0.02) =   0.004%
          HB2   GLU-  25 - QD    PHE   45  13.65 +/- 0.92   0.626% *  0.2040% (0.28   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.61 +/- 0.95   0.441% *  0.2754% (0.38   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QD    PHE   45  14.37 +/- 0.85   0.495% *  0.1830% (0.25   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QD    PHE   45  18.46 +/- 1.00   0.088% *  0.7081% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.26 A violated in 6 structures by 0.57 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 80.1:
      O T HB3   PHE   45 - QD    PHE   45   2.34 +/- 0.13  99.894% * 99.5701% (0.80  10.0 10.00   4.94  80.10) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   9.26 +/- 2.38   0.058% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   9.10 +/- 1.21   0.041% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.29 +/- 1.90   0.005% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.76 +/- 0.73   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.20 +/- 1.02   0.002% *  0.0557% (0.45   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.23, residual support = 80.1:
      O T HB2   PHE   45 - QD    PHE   45   2.64 +/- 0.08  99.907% * 99.8423% (0.97  10.0 10.00   4.23  80.10) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.11 +/- 1.06   0.085% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.75 +/- 1.62   0.008% *  0.1032% (1.00   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 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.7:
          HB    THR   94 - QD    PHE   45   3.68 +/- 0.92  97.117% * 93.8952% (0.69   2.96  27.71) =  99.985%  kept
          QB    SER   85 - QD    PHE   45  10.04 +/- 2.07   0.680% *  0.8745% (0.95   0.02   0.02) =   0.007%
          QB    SER   48 - QD    PHE   45   9.97 +/- 0.78   0.473% *  0.7403% (0.80   0.02   0.02) =   0.004%
          HA    ALA   88 - QD    PHE   45   9.68 +/- 2.23   1.090% *  0.1426% (0.15   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD    PHE   45  11.40 +/- 1.08   0.400% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    PHE   45  14.00 +/- 0.62   0.088% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.25 +/- 0.64   0.028% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.95 +/- 1.00   0.015% *  0.8745% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.23 +/- 1.15   0.048% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.05 +/- 1.68   0.012% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.74 +/- 1.61   0.013% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.01 +/- 0.87   0.038% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 1 structures by 0.08 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.33, residual support = 19.2:
          HA    ASP-  44 - QD    PHE   45   2.85 +/- 0.49  95.857% * 82.9879% (0.34   4.35  19.26) =  99.475%  kept
          HB    THR   77 - QD    PHE   45   5.57 +/- 0.62   3.578% * 11.6615% (0.28   0.75   8.54) =   0.522%  kept
          HA    ASP-  86 - QD    PHE   45  10.65 +/- 2.65   0.106% *  1.0963% (0.98   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   9.14 +/- 3.06   0.312% *  0.1726% (0.15   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45  10.08 +/- 2.24   0.104% *  0.3110% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  14.23 +/- 1.09   0.009% *  0.9342% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  12.01 +/- 1.21   0.030% *  0.2213% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.63 +/- 1.36   0.002% *  1.1160% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.12 +/- 2.32   0.000% *  1.0794% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  26.64 +/- 2.74   0.000% *  0.4198% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.13 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 = 4.94, residual support = 80.1:
          HA    PHE   45 - QD    PHE   45   3.01 +/- 0.40  99.407% * 96.7757% (0.25   4.94  80.10) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   7.72 +/- 0.74   0.532% *  0.3922% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  10.76 +/- 0.48   0.055% *  1.2594% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.99 +/- 2.19   0.005% *  1.5728% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 5.51, residual support = 74.6:
          HN    PHE   45 - QD    PHE   45   2.12 +/- 0.42  88.608% * 56.1254% (0.45   5.62  80.10) =  90.983%  kept
          HN    ASP-  44 - QD    PHE   45   3.89 +/- 0.65  11.369% * 43.3521% (0.45   4.34  19.26) =   9.017%  kept
          HN    ALA  110 - QD    PHE   45  10.72 +/- 2.02   0.014% *  0.3058% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.50 +/- 1.13   0.009% *  0.2167% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 80.1:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.994% * 99.7606% (0.98  10.0   1.00  80.10) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.16 +/- 0.66   0.006% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.16 +/- 1.28   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.606, support = 4.47, residual support = 54.7:
          HN    TRP   49 - HD1   TRP   49   2.64 +/- 0.68  76.183% * 33.6211% (0.38   4.93  86.17) =  61.934%  kept
          HN    CYS   50 - HD1   TRP   49   4.01 +/- 1.48  23.795% * 66.1586% (0.98   3.72   3.58) =  38.066%  kept
          HN    VAL   83 - HD1   TRP   49  14.38 +/- 2.48   0.021% *  0.2203% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 2.32, residual support = 86.2:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.32  86.17) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 86.2:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.995% * 99.8040% (0.41  10.0   1.00  86.17) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  19.28 +/- 2.84   0.005% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.90 +/- 1.87   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 86.2:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  86.17) = 100.000%  kept
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 86.2:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  86.17) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  24.94 +/- 2.90   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.939, support = 1.31, residual support = 3.5:
          QG2   VAL   83 - HZ    PHE   45   5.43 +/- 3.02  57.976% * 50.7638% (0.99   1.26   2.11) =  67.394%  kept
          QD1   ILE   89 - HZ    PHE   45   6.41 +/- 2.77  29.135% * 48.5850% (0.84   1.43   6.43) =  32.414%  kept
          QD2   LEU   31 - HZ    PHE   45   7.30 +/- 0.92  12.889% *  0.6512% (0.80   0.02   0.02) =   0.192%
    Distance limit 4.87 A violated in 2 structures by 0.78 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.72, residual support = 86.2:
      O T HB2   TRP   49 - HD1   TRP   49   3.68 +/- 0.37  98.882% * 99.5547% (0.65  10.0 10.00   4.72  86.17) =  99.999%  kept
          HA    ALA   84 - HD1   TRP   49  11.57 +/- 2.30   0.938% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - HD1   TRP   49  13.23 +/- 1.50   0.071% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  14.94 +/- 3.04   0.080% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  15.44 +/- 1.89   0.024% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.66 +/- 2.19   0.003% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  23.83 +/- 2.88   0.003% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.72, residual support = 86.2:
      O T HB3   TRP   49 - HD1   TRP   49   3.04 +/- 0.42  99.992% * 99.9191% (0.90  10.0 10.00   4.72  86.17) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  17.12 +/- 1.84   0.008% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.7, residual support = 15.9:
          QB    ALA   47 - HD1   TRP   49   2.83 +/- 0.91  99.978% * 99.0079% (0.84   3.70  15.95) = 100.000%  kept
          HG2   LYS+ 112 - HD1   TRP   49  17.24 +/- 3.43   0.012% *  0.2403% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD1   TRP   49  16.25 +/- 1.71   0.006% *  0.4649% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.27 +/- 1.31   0.005% *  0.2870% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.665, support = 0.688, residual support = 1.48:
          HB3   PRO   52 - HZ2   TRP   49   8.58 +/- 3.37  29.903% * 53.7187% (0.87  1.00   0.75   2.31) =  51.882%  kept
          HB3   GLN   90 - HZ2   TRP   49   6.17 +/- 4.03  64.520% * 23.0391% (0.45  1.00   0.62   0.59) =  48.011%  kept
          QB    LYS+ 106 - HZ2   TRP   49  15.25 +/- 3.21   4.996% *  0.5633% (0.34  1.00   0.02   0.02) =   0.091%
          HG2   ARG+  54 - HZ2   TRP   49  11.95 +/- 1.71   0.240% *  1.1344% (0.69  1.00   0.02   0.02) =   0.009%
          QB    LYS+  81 - HZ2   TRP   49  11.57 +/- 2.99   0.284% *  0.6198% (0.38  1.00   0.02   0.02) =   0.006%
          HB    ILE  103 - HZ2   TRP   49  23.24 +/- 4.35   0.025% *  1.1992% (0.73  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HZ2   TRP   49  27.47 +/- 2.74   0.001% * 14.3250% (0.87 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HZ2   TRP   49  22.50 +/- 4.06   0.015% *  1.0016% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  22.18 +/- 3.54   0.006% *  1.0683% (0.65  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  22.93 +/- 2.64   0.003% *  0.7404% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  22.56 +/- 2.04   0.004% *  0.4592% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  25.82 +/- 2.08   0.002% *  0.8689% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  30.31 +/- 2.36   0.001% *  1.2621% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 1 structures by 0.21 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   4.11 +/- 0.32  99.746% * 98.0051% (0.69   2.03  15.95) =  99.999%  kept
          QG1   VAL   42 - HZ2   TRP   49  16.15 +/- 1.87   0.083% *  0.7942% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HZ2   TRP   49  16.53 +/- 3.33   0.152% *  0.3498% (0.25   0.02   0.02) =   0.001%
          QB    ALA   64 - HZ2   TRP   49  18.19 +/- 1.54   0.018% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.388, support = 0.684, residual support = 2.1:
          HG2   PRO   52 - HH2   TRP   49   6.42 +/- 2.41  40.541% * 73.0242% (0.34   0.75   2.31) =  91.012%  kept
          HG2   MET   92 - HH2   TRP   49   6.29 +/- 3.02  54.705% *  4.9520% (0.87   0.02   0.02) =   8.328%  kept
          QG    GLU- 114 - HH2   TRP   49  14.94 +/- 2.87   4.602% *  4.5712% (0.80   0.02   0.02) =   0.647%  kept
          HB2   GLU-  79 - HH2   TRP   49  16.09 +/- 2.61   0.084% *  4.1454% (0.73   0.02   0.02) =   0.011%
          HB2   ASP-  44 - HH2   TRP   49  16.46 +/- 1.21   0.057% *  0.9998% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HH2   TRP   49  25.81 +/- 2.46   0.004% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  27.66 +/- 1.84   0.003% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  35.61 +/- 2.57   0.001% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  35.60 +/- 3.11   0.001% *  3.9214% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  27.88 +/- 2.19   0.002% *  0.8808% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.741, support = 1.6, residual support = 1.79:
          HB3   PRO   52 - HH2   TRP   49   8.33 +/- 2.95  29.804% * 78.6440% (0.87   1.96   2.31) =  69.943%  kept
          HB3   GLN   90 - HH2   TRP   49   6.67 +/- 4.68  64.628% * 15.5570% (0.45   0.75   0.59) =  30.002%  kept
          QB    LYS+ 106 - HH2   TRP   49  15.82 +/- 3.43   5.007% *  0.3156% (0.34   0.02   0.02) =   0.047%
          HG2   ARG+  54 - HH2   TRP   49  12.23 +/- 1.68   0.277% *  0.6356% (0.69   0.02   0.02) =   0.005%
          QB    LYS+  81 - HH2   TRP   49  12.88 +/- 3.23   0.235% *  0.3473% (0.38   0.02   0.02) =   0.002%
          HB    ILE  103 - HH2   TRP   49  23.93 +/- 4.76   0.027% *  0.6719% (0.73   0.02   0.02) =   0.001%
          HG12  ILE  103 - HH2   TRP   49  23.37 +/- 4.32   0.008% *  0.5612% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.71 +/- 3.63   0.005% *  0.5986% (0.65   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  24.21 +/- 2.72   0.003% *  0.4149% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  27.84 +/- 2.72   0.001% *  0.8027% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  23.22 +/- 1.77   0.004% *  0.2573% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.22 +/- 2.19   0.001% *  0.4868% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  31.27 +/- 2.28   0.001% *  0.7072% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 1 structures by 0.26 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.25, residual support = 20.3:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  99.661% * 99.2903% (0.25  10.0   2.25  20.31) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.89 +/- 0.77   0.128% *  0.2415% (0.61   1.0   0.02   3.12) =   0.000%
          HD3   PRO   93 - QD    PHE   55   8.81 +/- 1.89   0.136% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.90 +/- 0.76   0.075% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.45 +/- 1.36   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.841, support = 2.0, residual support = 19.6:
          HA    PHE   55 - QD    PHE   55   2.94 +/- 0.34  94.939% * 57.8298% (0.84   2.03  20.31) =  96.523%  kept
          HA    ALA  110 - QD    PHE   55   7.25 +/- 3.19   4.827% * 40.9588% (1.00   1.21   0.13) =   3.476%  kept
          HA    VAL  107 - QD    PHE   55  11.26 +/- 1.97   0.201% *  0.2324% (0.34   0.02   0.02) =   0.001%
          HA    GLN   90 - QD    PHE   55  16.14 +/- 2.21   0.006% *  0.6575% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.55 +/- 2.03   0.023% *  0.1517% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.74 +/- 1.47   0.004% *  0.1699% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.505, support = 1.69, residual support = 3.38:
          HB3   LEU  115 - QD    PHE   55   6.94 +/- 1.72  32.856% * 55.2438% (0.31  1.00   2.61   5.62) =  59.256%  kept
          QB    ALA  110 - QD    PHE   55   5.97 +/- 2.81  60.180% * 20.4596% (0.80  1.00   0.37   0.13) =  40.195%  kept
        T QG    LYS+  66 - QD    PHE   55  13.29 +/- 1.49   0.687% * 12.9921% (0.95 10.00   0.02   0.02) =   0.292%
          QB    ALA   61 - QD    PHE   55   9.91 +/- 1.03   5.289% *  1.3255% (0.97  1.00   0.02   0.02) =   0.229%
        T HG    LEU   67 - QD    PHE   55  17.95 +/- 2.04   0.117% *  3.0577% (0.22 10.00   0.02   0.02) =   0.012%
          HB3   LEU   67 - QD    PHE   55  17.93 +/- 1.40   0.112% *  1.3734% (1.00  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD    PHE   55  16.07 +/- 1.56   0.262% *  0.2718% (0.20  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD    PHE   55  19.56 +/- 1.46   0.063% *  1.0998% (0.80  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD    PHE   55  20.74 +/- 1.97   0.052% *  1.1472% (0.84  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - QD    PHE   55  21.12 +/- 1.50   0.056% *  0.9973% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD    PHE   55  16.41 +/- 1.58   0.205% *  0.2405% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD    PHE   55  20.03 +/- 1.01   0.071% *  0.4239% (0.31  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  20.68 +/- 1.59   0.040% *  0.4239% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD    PHE   55  25.86 +/- 2.57   0.010% *  0.9434% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 8 structures by 0.96 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.02, residual support = 5.61:
          QD2   LEU  115 - QD    PHE   55   5.92 +/- 1.64  87.048% * 88.2730% (0.87  1.00   2.03   5.62) =  99.822%  kept
          QD1   LEU   63 - QD    PHE   55   9.32 +/- 1.51   7.970% *  1.0019% (1.00  1.00   0.02   0.02) =   0.104%
        T QD2   LEU   80 - QD    PHE   55  17.19 +/- 1.40   0.386% *  8.3871% (0.84 10.00   0.02   0.02) =   0.042%
          QD2   LEU   63 - QD    PHE   55  10.74 +/- 1.49   3.920% *  0.5283% (0.53  1.00   0.02   0.02) =   0.027%
          QD1   LEU   73 - QD    PHE   55  17.25 +/- 1.18   0.275% *  1.0019% (1.00  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - QD    PHE   55  17.67 +/- 1.61   0.209% *  0.6090% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   55  18.69 +/- 1.27   0.193% *  0.1987% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 11 structures by 1.53 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.988, support = 0.0199, residual support = 0.0199:
          HB3   PHE   59 - QE    PHE   95   5.01 +/- 2.44  99.122% * 72.5341% (0.99   0.02   0.02) =  99.666%  kept
          HB3   TRP   49 - QE    PHE   95  15.02 +/- 1.62   0.878% * 27.4659% (0.38   0.02   0.02) =   0.334%
    Distance limit 4.54 A violated in 7 structures by 1.14 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 = 0.311, support = 2.68, residual support = 40.6:
          HB    VAL  107 - QE    PHE   95   4.63 +/- 0.75  74.290% * 33.4841% (0.28  1.00   2.97  45.49) =  89.031%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.21 +/- 2.44   4.090% * 40.7825% (0.57 10.00   0.18   0.02) =   5.970%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.50 +/- 2.62  13.430% *  5.5649% (0.69 10.00   0.02   0.02) =   2.675%  kept
          HB3   PHE   45 - QE    PHE   95   7.93 +/- 1.60   6.017% *  6.5329% (0.69  1.00   0.23   1.89) =   1.407%  kept
          HG3   MET   96 - QE    PHE   95   9.40 +/- 1.07   2.122% * 12.0609% (0.20  1.00   1.50  11.99) =   0.916%  kept
          HB3   ASP-  86 - QE    PHE   95  17.22 +/- 1.91   0.041% *  0.7664% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.54 +/- 1.06   0.011% *  0.8083% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.597, support = 0.571, residual support = 0.637:
          QG1   ILE   56 - QE    PHE   95   3.88 +/- 2.62  76.654% * 35.8795% (0.53   0.59   0.76) =  83.924%  kept
          QD    LYS+ 106 - QE    PHE   95   8.68 +/- 1.61   9.617% * 53.0341% (1.00   0.46   0.02) =  15.563%  kept
          HG3   PRO   93 - QE    PHE   95   6.41 +/- 1.90   7.425% *  0.8613% (0.38   0.02   0.02) =   0.195%
          HB2   LEU   73 - QE    PHE   95  10.00 +/- 1.17   1.706% *  2.1185% (0.92   0.02   0.02) =   0.110%
          HD2   LYS+ 111 - QE    PHE   95  10.17 +/- 1.85   1.840% *  1.5764% (0.69   0.02   0.02) =   0.089%
          HB3   MET   92 - QE    PHE   95   8.37 +/- 1.40   0.795% *  1.8376% (0.80   0.02   0.02) =   0.045%
          QD    LYS+  99 - QE    PHE   95  14.02 +/- 1.42   0.506% *  2.2949% (1.00   0.02   0.02) =   0.035%
          HB2   LEU  123 - QE    PHE   95  13.41 +/- 1.98   0.680% *  0.9435% (0.41   0.02   0.02) =   0.020%
          HB3   LYS+  99 - QE    PHE   95  14.27 +/- 1.62   0.513% *  0.9435% (0.41   0.02   0.02) =   0.015%
          QD    LYS+ 102 - QE    PHE   95  15.87 +/- 2.00   0.264% *  0.5109% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.93 A violated in 4 structures by 0.36 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.672, support = 2.69, residual support = 44.1:
          QG2   VAL  107 - QE    PHE   95   3.53 +/- 0.93  86.160% * 73.2524% (0.69  1.00   2.73  45.49) =  95.628%  kept
          QG2   THR   94 - QE    PHE   95   5.79 +/- 0.88  11.927% * 24.1148% (0.34  1.00   1.81  14.87) =   4.358%  kept
          HG2   LYS+ 121 - QE    PHE   95  12.11 +/- 1.89   0.780% *  0.3508% (0.45  1.00   0.02   0.02) =   0.004%
        T QB    ALA   20 - QE    PHE   95  11.29 +/- 1.43   0.201% *  1.2074% (0.15 10.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - QE    PHE   95  11.96 +/- 1.41   0.267% *  0.7808% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - QE    PHE   95   9.40 +/- 1.95   0.665% *  0.2937% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.925, support = 1.65, residual support = 4.02:
          QD1   LEU   63 - QE    PHE   95   3.90 +/- 2.17  61.070% * 29.3665% (1.00  1.00   1.12   4.05) =  53.275%  kept
          QD2   LEU  115 - QE    PHE   95   4.92 +/- 1.84  26.926% * 54.2538% (0.87  1.00   2.38   3.98) =  43.396%  kept
          QD2   LEU   63 - QE    PHE   95   5.58 +/- 2.35  10.073% * 11.0340% (0.53  1.00   0.80   4.05) =   3.302%  kept
          QD1   LEU  104 - QE    PHE   95  10.92 +/- 2.15   1.671% *  0.3193% (0.61  1.00   0.02   0.02) =   0.016%
        T QD2   LEU   80 - QE    PHE   95  11.93 +/- 1.50   0.073% *  4.3970% (0.84 10.00   0.02   0.02) =   0.009%
          QD1   LEU   73 - QE    PHE   95   9.87 +/- 1.14   0.126% *  0.5252% (1.00  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QE    PHE   95  13.44 +/- 1.90   0.062% *  0.1042% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 1 structures by 0.06 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.34, support = 1.42, residual support = 3.97:
        T QD1   LEU  115 - QE    PHE   95   4.24 +/- 2.08  83.204% * 97.8884% (0.34 10.00   1.42   3.98) =  99.613%  kept
          QB    ALA   64 - QE    PHE   95   7.24 +/- 1.79  15.505% *  2.0318% (0.57  1.00   0.18   0.02) =   0.385%
          QG1   VAL   75 - QE    PHE   95   8.60 +/- 1.33   1.291% *  0.0799% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 3 structures by 0.66 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.153% * 99.6254% (0.84  10.0   1.13  72.02) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.15 +/- 0.57   0.845% *  0.0325% (0.15   1.0   0.02  11.84) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  15.68 +/- 3.41   0.001% *  0.1890% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.50 +/- 1.45   0.001% *  0.1531% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 72.0:
      O T HB3   PHE   60 - QD    PHE   60   2.58 +/- 0.19  99.739% * 99.7227% (0.73  10.0 10.00   3.84  72.02) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   7.64 +/- 0.75   0.213% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.63 +/- 1.32   0.012% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.37 +/- 1.28   0.017% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.76 +/- 1.52   0.017% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.24 +/- 2.11   0.001% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.97 +/- 1.79   0.001% *  0.0943% (0.69   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 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.941, support = 1.13, residual support = 3.3:
          QD1   ILE   56 - QD    PHE   60   5.44 +/- 1.70  70.450% * 43.7763% (0.99  1.00   0.99   3.89) =  68.137%  kept
          QD2   LEU   73 - QD    PHE   60   7.23 +/- 1.11  26.932% * 53.4272% (0.84  1.00   1.43   2.05) =  31.790%  kept
        T QG1   VAL   41 - QD    PHE   60  11.71 +/- 1.38   1.750% *  1.5671% (0.18 10.00   0.02   0.02) =   0.061%
          HG3   LYS+ 121 - QD    PHE   60  14.01 +/- 1.04   0.471% *  0.6147% (0.69  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   60  14.47 +/- 1.40   0.397% *  0.6147% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 4.14 A violated in 11 structures by 1.14 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.74, residual support = 2.93:
          QB    ALA   64 - QD    PHE   60   4.45 +/- 1.12 100.000% *100.0000% (0.95   1.74   2.93) = 100.000%  kept
    Distance limit 4.07 A violated in 6 structures by 0.62 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   3.42 +/- 0.74  99.817% * 99.3264% (0.97   4.09  62.58) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97  11.22 +/- 1.66   0.154% *  0.4858% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  14.53 +/- 1.43   0.028% *  0.0996% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.44 +/- 1.74   0.002% *  0.0882% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.683, support = 0.834, residual support = 1.06:
          HA    THR  118 - QD    PHE   97   7.17 +/- 2.45  56.270% * 37.6954% (0.61   0.75   1.67) =  50.969%  kept
          HA    ILE  119 - QD    PHE   97   8.22 +/- 3.40  34.772% * 58.5152% (0.76   0.92   0.43) =  48.892%  kept
          HA2   GLY  109 - QD    PHE   97  13.47 +/- 1.45   4.171% *  0.5115% (0.31   0.02   0.02) =   0.051%
          HA    VAL   75 - QD    PHE   97  13.98 +/- 1.41   2.317% *  0.8719% (0.53   0.02   0.02) =   0.049%
          HA    ALA   84 - QD    PHE   97  17.48 +/- 2.24   1.137% *  0.8067% (0.49   0.02   0.02) =   0.022%
          HD3   PRO   58 - QD    PHE   97  14.44 +/- 2.29   1.156% *  0.4608% (0.28   0.02   0.02) =   0.013%
          HB2   TRP   49 - QD    PHE   97  22.07 +/- 2.39   0.177% *  1.1384% (0.69   0.02   0.02) =   0.005%
    Distance limit 4.42 A violated in 14 structures by 2.29 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   2.51 +/- 0.16  96.465% * 99.6874% (0.90  10.0 10.00   2.44  62.58) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   5.88 +/- 1.29   2.485% *  0.1051% (0.95   1.0  1.00   0.02  10.82) =   0.003%
          QE    LYS+  99 - QD    PHE   97   6.15 +/- 1.25   0.967% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.92 +/- 2.87   0.076% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  13.53 +/- 1.87   0.007% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 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   2.56 +/- 0.17  99.949% * 99.7112% (1.00  10.0 10.00   2.74  62.58) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.18 +/- 1.40   0.036% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  13.11 +/- 2.11   0.010% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.89 +/- 2.19   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  18.40 +/- 1.39   0.001% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.814, support = 1.0, residual support = 2.34:
          QG1   VAL  107 - QD    PHE   97   5.85 +/- 1.46  88.020% * 59.2668% (0.84   0.99   2.45) =  95.045%  kept
          HG13  ILE  119 - QD    PHE   97   9.68 +/- 2.98   7.193% * 37.2421% (0.41   1.26   0.43) =   4.880%  kept
          HB3   LEU   31 - QD    PHE   97  11.96 +/- 1.25   3.504% *  0.6445% (0.45   0.02   0.02) =   0.041%
          QG1   VAL   24 - QD    PHE   97  14.48 +/- 2.14   0.991% *  1.4376% (1.00   0.02   0.02) =   0.026%
          HD3   LYS+ 112 - QD    PHE   97  15.81 +/- 2.37   0.292% *  1.4091% (0.98   0.02   0.02) =   0.007%
    Distance limit 4.16 A violated in 14 structures by 1.66 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 3.24, residual support = 16.8:
          HB2   LEU  104 - QD    PHE   97   3.55 +/- 0.84  92.118% * 67.5899% (0.69   3.30  17.28) =  97.309%  kept
          QD1   ILE  119 - QD    PHE   97   9.08 +/- 2.72   5.401% * 31.7344% (0.95   1.12   0.43) =   2.679%  kept
          QG2   VAL  108 - QD    PHE   97   7.79 +/- 0.99   2.333% *  0.3139% (0.53   0.02   0.02) =   0.011%
          HB    VAL   75 - QD    PHE   97  12.45 +/- 1.58   0.148% *  0.3619% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.27, residual support = 1.63:
          QG2   THR  118 - QD    PHE   97   4.67 +/- 2.31  54.062% * 97.4088% (0.20   1.30   1.67) =  97.790%  kept
          QG2   VAL   70 - QD    PHE   97   4.56 +/- 1.17  45.938% *  2.5912% (0.34   0.02   0.02) =   2.210%  kept
    Distance limit 4.47 A violated in 1 structures by 0.11 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.78 +/- 1.20  93.923% * 85.0969% (1.00   0.02   0.02) =  98.879%  kept
          QB    ALA   47 - QD    PHE   97  14.49 +/- 1.66   6.077% * 14.9031% (0.18   0.02   0.02) =   1.121%  kept
    Distance limit 4.82 A violated in 20 structures by 3.86 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.55, residual support = 27.4:
          HN    LEU  115 - QD    PHE   59   5.09 +/- 0.72  91.007% * 98.9255% (0.97   2.55  27.41) =  99.969%  kept
          HN    PHE   97 - QD    PHE   59  10.70 +/- 2.20   2.179% *  0.7749% (0.97   0.02   0.02) =   0.019%
          HN    ASP- 113 - QD    PHE   59   8.12 +/- 0.93   6.806% *  0.1589% (0.20   0.02   0.02) =   0.012%
          HN    ALA   12 - QD    PHE   59  24.86 +/- 1.54   0.008% *  0.1406% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 4 structures by 0.31 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 3.0, residual support = 58.4:
          HA    PHE   59 - QD    PHE   59   2.62 +/- 0.73  95.659% * 78.0297% (0.61   3.03  58.77) =  98.970%  kept
          HA    ILE   56 - QD    PHE   59   5.23 +/- 0.93   4.001% * 19.3452% (0.61   0.75  20.73) =   1.026%  kept
          HA    ASP- 113 - QD    PHE   59   8.07 +/- 0.78   0.272% *  0.8486% (1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QD    PHE   59   9.91 +/- 0.80   0.058% *  0.4140% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.94 +/- 2.20   0.006% *  0.6810% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  21.55 +/- 1.83   0.001% *  0.5502% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  19.68 +/- 2.57   0.002% *  0.1312% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.996, support = 2.22, residual support = 21.6:
        T HA    ILE  119 - QD    PHE   59   4.39 +/- 1.10  86.893% * 56.0339% (1.00 10.00   2.25  22.10) =  95.719%  kept
        T HA    THR  118 - QD    PHE   59   7.06 +/- 0.91   4.963% * 43.8127% (0.95 10.00   1.65  10.81) =   4.275%  kept
          HA2   GLY  109 - QD    PHE   59   9.49 +/- 2.10   7.797% *  0.0386% (0.69  1.00   0.02   0.02) =   0.006%
          HB2   TRP   49 - QD    PHE   59  16.55 +/- 1.14   0.062% *  0.0550% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.81 +/- 1.48   0.239% *  0.0111% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  17.69 +/- 1.59   0.046% *  0.0487% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 2 structures by 0.29 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 58.8:
      O   HB2   PHE   59 - QD    PHE   59   2.48 +/- 0.15  99.666% * 99.6982% (0.97  10.0   2.72  58.77) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.46 +/- 1.10   0.231% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.97 +/- 1.66   0.041% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.43 +/- 0.92   0.041% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.61 +/- 0.93   0.012% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.51 +/- 1.43   0.009% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 3.16, residual support = 58.8:
      O   HB3   PHE   59 - QD    PHE   59   2.52 +/- 0.16  99.999% * 99.9680% (0.97  10.0   3.16  58.77) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.93 +/- 1.01   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.903, support = 2.7, residual support = 30.2:
          HB2   PRO   58 - QD    PHE   59   5.82 +/- 0.75  54.177% * 68.9430% (0.99   2.95  40.41) =  74.323%  kept
          HB2   GLN  116 - QD    PHE   59   6.20 +/- 1.12  42.510% * 30.3265% (0.65   1.99   0.47) =  25.652%  kept
          HB3   PHE   97 - QD    PHE   59  10.36 +/- 2.23   3.270% *  0.3775% (0.80   0.02   0.02) =   0.025%
          HB2   GLU- 100 - QD    PHE   59  19.78 +/- 1.96   0.034% *  0.2480% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  24.42 +/- 1.97   0.010% *  0.1050% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.44 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   3.23 +/- 0.71  99.561% * 99.7160% (0.97 10.00   1.97  20.73) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.12 +/- 1.12   0.286% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.31 +/- 2.11   0.028% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.66 +/- 1.64   0.083% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.55 +/- 1.63   0.031% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  16.66 +/- 1.80   0.010% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.617, support = 2.4, residual support = 27.4:
          HB3   LEU  115 - QD    PHE   59   2.44 +/- 0.93  81.330% * 71.0950% (0.65   2.35  27.41) =  93.986%  kept
          HG    LEU  115 - QD    PHE   59   3.90 +/- 0.85  16.538% * 22.2824% (0.15   3.09  27.41) =   5.990%  kept
          QG    LYS+  66 - QD    PHE   59   6.75 +/- 1.53   0.990% *  0.9017% (0.97   0.02   0.02) =   0.015%
          QB    ALA   61 - QD    PHE   59   6.29 +/- 0.43   0.534% *  0.6418% (0.69   0.02   0.31) =   0.006%
          QB    ALA  110 - QD    PHE   59   7.33 +/- 1.45   0.240% *  0.4189% (0.45   0.02   0.02) =   0.002%
          HG    LEU   67 - QD    PHE   59   9.73 +/- 1.70   0.090% *  0.4916% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    PHE   59   9.74 +/- 1.26   0.050% *  0.7804% (0.84   0.02   0.02) =   0.001%
          QB    ALA  120 - QD    PHE   59   7.30 +/- 0.40   0.209% *  0.1442% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  13.17 +/- 1.63   0.006% *  0.9323% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  12.87 +/- 1.87   0.008% *  0.6044% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.09 +/- 2.12   0.001% *  0.9017% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.72 +/- 1.61   0.002% *  0.3507% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  18.18 +/- 1.58   0.001% *  0.4548% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 0.499, support = 2.54, residual support = 17.9:
        T HG13  ILE  119 - QD    PHE   59   3.29 +/- 0.66  64.980% * 65.0806% (0.41 10.00   3.07  22.10) =  79.158%  kept
        T QG1   VAL  107 - QD    PHE   59   4.07 +/- 1.00  32.229% * 34.5350% (0.84 10.00   0.52   2.18) =  20.834%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.37 +/- 1.81   2.780% *  0.1552% (0.98  1.00   0.02   0.02) =   0.008%
          QG1   VAL   24 - QD    PHE   59  16.36 +/- 2.17   0.008% *  0.1583% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.94 +/- 2.04   0.002% *  0.0710% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.58 +/- 1.01  61.605% * 60.0043% (0.98   0.02   0.02) =  81.518%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.84 +/- 1.19  31.002% * 22.9752% (0.38   0.02   0.02) =  15.707%  kept
          HB3   LEU  104 - QD    PHE   59  13.12 +/- 2.14   7.394% * 17.0205% (0.28   0.02   0.02) =   2.775%  kept
    Distance limit 4.83 A violated in 20 structures by 3.00 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 3.82, residual support = 23.4:
          QD2   LEU  115 - QD    PHE   59   2.60 +/- 0.68  55.806% * 79.0326% (0.98   4.29  27.41) =  85.086%  kept
          QD1   LEU   63 - QD    PHE   59   2.88 +/- 1.04  39.210% * 19.6996% (0.92   1.13   0.63) =  14.902%  kept
          QD2   LEU   63 - QD    PHE   59   4.13 +/- 0.97   4.968% *  0.1283% (0.34   0.02   0.63) =   0.012%
          QD1   LEU  104 - QD    PHE   59  11.54 +/- 2.00   0.009% *  0.3011% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.11 +/- 1.18   0.005% *  0.3472% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.65 +/- 1.46   0.002% *  0.3629% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  16.35 +/- 1.39   0.001% *  0.1283% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 3.99, residual support = 27.4:
        T QD1   LEU  115 - QD    PHE   59   3.24 +/- 0.87  97.252% * 99.9042% (0.84 10.00   3.99  27.41) =  99.999%  kept
          QB    ALA   64 - QD    PHE   59   7.14 +/- 0.51   2.628% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.42 +/- 1.22   0.119% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 1.5, residual support = 27.4:
        T HA    LEU  115 - QE    PHE   59   2.82 +/- 0.69  98.605% * 91.6732% (0.73 10.00   1.50  27.41) =  99.927%  kept
          HA    GLU- 114 - QE    PHE   59   6.79 +/- 0.79   0.885% *  7.4028% (1.00  1.00   0.88   0.02) =   0.072%
        T HA    ARG+  54 - QE    PHE   59  11.48 +/- 1.39   0.051% *  0.3331% (0.20 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QE    PHE   59   9.16 +/- 1.49   0.444% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.46 +/- 2.83   0.006% *  0.1650% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  17.90 +/- 2.29   0.004% *  0.1460% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.83 +/- 2.71   0.003% *  0.1156% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.66 +/- 2.22   0.002% *  0.1348% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.82, residual support = 10.8:
        T HB    THR  118 - QE    PHE   59   3.20 +/- 1.05  99.941% * 99.7401% (0.95 10.00   1.82  10.81) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  16.32 +/- 2.36   0.021% *  0.0701% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  16.37 +/- 2.16   0.019% *  0.0518% (0.45  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.75 +/- 1.03   0.009% *  0.0475% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.83 +/- 2.16   0.006% *  0.0701% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  22.44 +/- 2.07   0.004% *  0.0202% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 1 structures by 0.10 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 0.725, residual support = 2.25:
          HB    VAL  107 - QE    PHE   59   4.23 +/- 1.97  75.419% * 68.8501% (0.80   0.74   2.18) =  94.284%  kept
          HB3   ASP-  62 - QE    PHE   59   6.21 +/- 1.17  12.305% * 13.3168% (0.14   0.85   6.52) =   2.975%  kept
          QE    LYS+ 112 - QE    PHE   59   7.02 +/- 1.75  12.058% * 12.4744% (1.00   0.11   0.02) =   2.731%  kept
          HB3   PHE   45 - QE    PHE   59  11.37 +/- 1.84   0.206% *  2.3227% (1.00   0.02   0.02) =   0.009%
          HB3   ASP-  86 - QE    PHE   59  20.36 +/- 2.49   0.005% *  1.0437% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  22.87 +/- 2.54   0.003% *  1.4119% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.69 +/- 2.10   0.004% *  0.5805% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.07, residual support = 22.1:
          HG12  ILE  119 - QE    PHE   59   2.70 +/- 0.67  98.510% * 96.0823% (0.73   4.07  22.10) =  99.990%  kept
          HB2   ASP-  44 - QE    PHE   59   7.82 +/- 2.36   1.322% *  0.6440% (0.99   0.02   0.02) =   0.009%
          HB3   PHE   72 - QE    PHE   59   9.45 +/- 1.80   0.118% *  0.6483% (1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   59  12.85 +/- 2.04   0.034% *  0.1620% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  14.88 +/- 1.10   0.008% *  0.6146% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  17.08 +/- 1.77   0.004% *  0.6369% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  17.19 +/- 1.65   0.003% *  0.6483% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  21.39 +/- 2.19   0.001% *  0.2216% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  24.11 +/- 1.50   0.000% *  0.3419% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.63, support = 2.94, residual support = 12.5:
          HG13  ILE  119 - QE    PHE   59   3.27 +/- 0.91  29.113% * 71.3587% (0.73   3.80  22.10) =  51.913%  kept
          QG1   VAL  107 - QE    PHE   59   2.74 +/- 1.37  70.796% * 27.1808% (0.53   2.00   2.18) =  48.086%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.68 +/- 1.77   0.086% *  0.4887% (0.95   0.02   0.02) =   0.001%
          QG1   VAL   24 - QE    PHE   59  16.24 +/- 2.67   0.002% *  0.4481% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  13.54 +/- 1.47   0.003% *  0.1288% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  18.00 +/- 2.65   0.001% *  0.3948% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 2.37, residual support = 21.5:
        T QD2   LEU  115 - QE    PHE   59   3.22 +/- 0.94  40.017% * 82.7126% (0.87 10.00   2.87  27.41) =  77.909%  kept
        T QD1   LEU   63 - QE    PHE   59   2.90 +/- 1.37  59.931% * 15.6592% (0.53 10.00   0.62   0.63) =  22.090%  kept
        T QD1   LEU  104 - QE    PHE   59  10.12 +/- 2.29   0.037% *  0.9514% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  11.75 +/- 1.67   0.007% *  0.5017% (0.53 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.75 +/- 1.97   0.002% *  0.0855% (0.90  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  12.47 +/- 2.03   0.006% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  16.18 +/- 1.94   0.001% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 2.92, residual support = 27.0:
          QD1   LEU  115 - QE    PHE   59   4.36 +/- 0.64  94.378% * 76.9431% (0.45   2.96  27.41) =  98.443%  kept
          QB    ALA   64 - QE    PHE   59   7.64 +/- 0.71   5.044% * 22.7342% (0.45   0.87   0.02) =   1.555%  kept
          QG1   VAL   75 - QE    PHE   59  11.49 +/- 1.62   0.577% *  0.3227% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.89, residual support = 10.8:
          QG2   THR  118 - QE    PHE   59   3.02 +/- 1.34 100.000% *100.0000% (0.80   3.89  10.81) = 100.000%  kept
    Distance limit 4.66 A violated in 1 structures by 0.14 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 72.0:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.840% * 99.6790% (0.99  10.0   1.13  72.02) = 100.000%  kept
          QE    PHE   59 - QE    PHE   60   7.81 +/- 1.62   0.136% *  0.0494% (0.28   1.0   0.02  19.26) =   0.000%
          HN    LYS+  66 - QE    PHE   60   9.39 +/- 1.09   0.022% *  0.1358% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  14.82 +/- 1.02   0.001% *  0.1358% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.835, support = 2.29, residual support = 6.4:
          HB3   PHE   72 - QE    PHE   60   4.90 +/- 1.96  32.111% * 79.4425% (0.87   3.00   9.07) =  68.464%  kept
          HB2   ASP-  44 - QE    PHE   60   3.62 +/- 1.17  67.210% * 17.4781% (0.76   0.75   0.62) =  31.527%  kept
          HG12  ILE  119 - QE    PHE   60   9.87 +/- 1.11   0.208% *  0.5978% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  11.81 +/- 2.04   0.163% *  0.3945% (0.65   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   60  12.48 +/- 1.77   0.102% *  0.4883% (0.80   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   60  12.54 +/- 3.01   0.114% *  0.3453% (0.57   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  14.80 +/- 2.10   0.027% *  0.5630% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  15.71 +/- 1.62   0.014% *  0.4189% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   60  13.33 +/- 1.06   0.043% *  0.1358% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  19.87 +/- 2.23   0.007% *  0.1358% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 0.805, support = 0.814, residual support = 1.1:
          HB3   LEU   73 - QE    PHE   60   7.32 +/- 1.36   7.889% * 51.7719% (0.98  1.00   1.21   2.05) =  47.957%  kept
          HB3   LYS+  74 - QE    PHE   60   5.40 +/- 1.33  48.819% *  4.1151% (0.25  1.00   0.38   0.02) =  23.589%  kept
          HB    VAL   42 - QE    PHE   60   7.84 +/- 1.95   6.578% * 27.0306% (1.00  1.00   0.62   0.53) =  20.879%  kept
          HG3   LYS+  65 - QE    PHE   60   8.89 +/- 1.74   5.614% *  9.9760% (1.00  1.00   0.23   0.02) =   6.576%  kept
          HB3   PRO   93 - QE    PHE   60   7.33 +/- 2.80  29.696% *  0.2427% (0.28  1.00   0.02   0.02) =   0.846%  kept
        T QB    ALA   84 - QE    PHE   60  12.04 +/- 1.52   0.369% *  2.1765% (0.25 10.00   0.02   0.02) =   0.094%
          HB2   LYS+ 112 - QE    PHE   60  13.64 +/- 2.51   0.163% *  0.8057% (0.92  1.00   0.02   0.02) =   0.015%
          QB    LEU   98 - QE    PHE   60  12.36 +/- 1.46   0.258% *  0.4249% (0.49  1.00   0.02   0.02) =   0.013%
          HG3   LYS+ 106 - QE    PHE   60  13.63 +/- 1.48   0.127% *  0.7291% (0.84  1.00   0.02   0.02) =   0.011%
          HG3   LYS+  33 - QE    PHE   60  15.86 +/- 1.77   0.060% *  0.8709% (1.00  1.00   0.02   0.02) =   0.006%
          QB    ALA   12 - QE    PHE   60  16.13 +/- 1.74   0.072% *  0.6671% (0.76  1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QE    PHE   60  12.96 +/- 2.13   0.244% *  0.1529% (0.18  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QE    PHE   60  14.95 +/- 1.76   0.097% *  0.1943% (0.22  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QE    PHE   60  19.99 +/- 1.50   0.014% *  0.8424% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 5.04 A violated in 0 structures by 0.09 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.987, residual support = 3.89:
        T QD1   ILE   56 - QE    PHE   60   6.81 +/- 2.09  94.357% * 98.3396% (0.20 10.00   0.99   3.89) =  99.948%  kept
          QD2   LEU  123 - QE    PHE   60  13.53 +/- 1.34   3.766% *  0.9294% (0.92  1.00   0.02   0.02) =   0.038%
          HG3   LYS+ 121 - QE    PHE   60  15.23 +/- 1.24   1.877% *  0.7311% (0.73  1.00   0.02   0.02) =   0.015%
    Distance limit 5.27 A violated in 12 structures by 1.91 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.774, support = 1.21, residual support = 2.64:
          QB    ALA   64 - QE    PHE   60   4.78 +/- 1.66  57.044% * 80.1365% (0.84   1.28   2.93) =  87.702%  kept
          QG1   VAL   42 - QE    PHE   60   5.33 +/- 1.61  33.056% * 19.1909% (0.34   0.75   0.53) =  12.171%  kept
          QB    ALA   47 - QE    PHE   60   8.59 +/- 1.62   9.900% *  0.6726% (0.45   0.02   0.02) =   0.128%
    Distance limit 4.84 A violated in 4 structures by 0.28 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 1.75, residual support = 5.11:
          HB3   PHE   72 - QD    PHE   60   5.42 +/- 1.39  22.878% * 76.4511% (0.76   2.72   9.07) =  53.086%  kept
          HB2   ASP-  44 - QD    PHE   60   3.98 +/- 0.93  75.111% * 20.5702% (0.87   0.65   0.62) =  46.895%  kept
          HG12  ILE  119 - QD    PHE   60   8.07 +/- 0.96   1.491% *  0.2505% (0.34   0.02   0.02) =   0.011%
          QG    GLU-  15 - QD    PHE   60  12.27 +/- 1.18   0.161% *  0.6946% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - QD    PHE   60  13.24 +/- 1.41   0.106% *  0.6134% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - QD    PHE   60  12.49 +/- 2.11   0.197% *  0.1286% (0.18   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   60  15.23 +/- 1.49   0.046% *  0.5044% (0.69   0.02   0.02) =   0.001%
          QB    MET   11 - QD    PHE   60  20.65 +/- 1.61   0.007% *  0.6586% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.84 +/- 1.88   0.004% *  0.1286% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.9, residual support = 89.2:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.995% * 99.8968% (0.87  10.0   2.90  89.21) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.63 +/- 1.04   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.27 +/- 0.86   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.755, support = 3.33, residual support = 8.9:
          QD    PHE   60 - QD    PHE   72   4.20 +/- 1.69  81.303% * 90.8590% (0.76   3.38   9.07) =  98.101%  kept
          HN    LYS+  66 - QD    PHE   72   6.19 +/- 0.72  17.566% *  8.1289% (0.28   0.83   0.17) =   1.896%  kept
          HE3   TRP   27 - QD    PHE   72   9.47 +/- 0.95   1.040% *  0.1755% (0.25   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD    PHE   72  18.40 +/- 0.89   0.018% *  0.6974% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.05 +/- 1.29   0.074% *  0.1393% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 2 structures by 0.23 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.344, support = 1.97, residual support = 11.6:
          QE    PHE   60 - QD    PHE   72   4.56 +/- 1.95  73.393% * 45.9181% (0.18   2.49   9.07) =  72.999%  kept
          HN    LEU   63 - QD    PHE   72   5.71 +/- 0.49  25.996% * 47.9207% (0.80   0.57  18.64) =  26.985%  kept
          HD21  ASN   28 - QD    PHE   72  14.24 +/- 1.24   0.117% *  1.8877% (0.90   0.02   0.02) =   0.005%
          HN    ILE   56 - QD    PHE   72  12.94 +/- 1.07   0.135% *  1.4458% (0.69   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD    PHE   72  15.83 +/- 4.40   0.123% *  1.5284% (0.73   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  14.68 +/- 2.35   0.203% *  0.6496% (0.31   0.02   0.02) =   0.003%
          HN    ALA   84 - QD    PHE   72  17.73 +/- 1.89   0.034% *  0.6496% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 1 structures by 0.10 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.43, residual support = 89.2:
          HN    PHE   72 - QD    PHE   72   2.86 +/- 0.44  99.961% * 99.8174% (0.98   5.43  89.21) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.40 +/- 0.83   0.039% *  0.1826% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 1.84, residual support = 89.2:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.189% * 52.6465% (0.76  10.0 10.00   1.00  89.21) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.804% * 47.3200% (0.69  10.0 10.00   2.90  89.21) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.07 +/- 0.92   0.007% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.674, support = 1.01, residual support = 7.41:
          QD    PHE   60 - QE    PHE   72   5.19 +/- 1.71  58.013% * 73.7833% (0.76   1.03   9.07) =  81.419%  kept
          HN    LYS+  66 - QE    PHE   72   5.20 +/- 0.58  41.526% * 23.5195% (0.28   0.90   0.17) =  18.577%  kept
          HE3   TRP   27 - QE    PHE   72  11.28 +/- 1.04   0.346% *  0.4676% (0.25   0.02   0.02) =   0.003%
          QD    PHE   55 - QE    PHE   72  13.63 +/- 1.59   0.106% *  0.3711% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  20.14 +/- 1.00   0.010% *  1.8586% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 89.2:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  89.21) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.05 +/- 1.27   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.08 +/- 1.37   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.46, residual support = 89.2:
          HA    PHE   72 - QD    PHE   72   2.77 +/- 0.38  99.894% * 99.8296% (0.90   4.46  89.21) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.11 +/- 0.76   0.106% *  0.1704% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 0.354, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.59 +/- 0.76  82.867% *  9.9133% (0.22   0.02   0.02) =  68.068%  kept
          HA    THR   23 - QD    PHE   72  14.33 +/- 0.80   8.151% * 28.8048% (0.65   0.02   0.02) =  19.454%  kept
          HA    ASP-  78 - QD    PHE   72  17.93 +/- 0.51   2.018% * 41.1037% (0.92   0.02   0.02) =   6.873%  kept
          HA    LEU   80 - QD    PHE   72  17.20 +/- 1.42   2.911% * 12.3802% (0.28   0.02   0.02) =   2.986%  kept
          HB    THR   23 - QD    PHE   72  16.03 +/- 0.73   4.054% *  7.7981% (0.18   0.02   0.02) =   2.619%  kept
    Distance limit 4.95 A violated in 20 structures by 4.34 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 3.53, residual support = 55.2:
        T HA    ALA   64 - QD    PHE   72   2.91 +/- 0.56  31.679% * 82.2895% (0.92   1.0 10.00   3.14  39.53) =  68.391%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.44 +/- 0.13  68.297% * 17.6413% (0.20  10.0 10.00   4.37  89.21) =  31.609%  kept
          QE    LYS+  66 - QD    PHE   72   9.36 +/- 0.88   0.022% *  0.0222% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASN   35 - QD    PHE   72  15.58 +/- 0.67   0.001% *  0.0469% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.6, residual support = 89.2:
      O T HB3   PHE   72 - QD    PHE   72   2.47 +/- 0.17  96.959% * 99.4111% (0.98  10.0 10.00   4.60  89.21) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   5.09 +/- 0.83   2.633% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QD    PHE   72   7.17 +/- 1.23   0.252% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   8.93 +/- 1.81   0.084% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72   9.68 +/- 1.59   0.066% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.57 +/- 0.80   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.28 +/- 1.30   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.55 +/- 1.47   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.96 +/- 1.55   0.001% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.799, support = 0.978, residual support = 6.2:
        T HB    VAL   42 - QD    PHE   72   3.54 +/- 0.67  94.156% * 64.9426% (0.80 10.00   0.94   5.86) =  98.877%  kept
          HB3   LEU   73 - QD    PHE   72   7.04 +/- 0.37   2.164% * 29.1693% (0.73  1.00   4.66  39.85) =   1.021%  kept
          HG3   LYS+  65 - QD    PHE   72   7.61 +/- 0.56   1.555% *  3.9235% (0.80  1.00   0.57   0.02) =   0.099%
          HB3   LYS+  74 - QD    PHE   72   8.11 +/- 0.66   1.217% *  0.0976% (0.57  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   9.28 +/- 0.58   0.370% *  0.1439% (0.84  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  15.85 +/- 1.19   0.021% *  1.0452% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  13.30 +/- 1.69   0.096% *  0.1708% (0.99  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  11.80 +/- 1.05   0.190% *  0.0839% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   72  12.23 +/- 0.66   0.076% *  0.1495% (0.87  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.35 +/- 1.71   0.113% *  0.0907% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  15.33 +/- 2.11   0.029% *  0.0647% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.20 +/- 1.32   0.013% *  0.1184% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 1.5, residual support = 35.0:
        T QD1   LEU   67 - QD    PHE   72   4.47 +/- 0.87  61.797% * 97.5868% (0.41 10.00   1.50  35.14) =  99.679%  kept
        T QD1   ILE  119 - QD    PHE   72   8.14 +/- 2.07   9.576% *  1.6652% (0.53 10.00   0.02   0.02) =   0.264%
          QD2   LEU   40 - QD    PHE   72   6.00 +/- 0.89  19.396% *  0.1419% (0.45  1.00   0.02   0.02) =   0.045%
          QG2   VAL  108 - QD    PHE   72  10.53 +/- 2.18   5.358% *  0.0488% (0.15  1.00   0.02   0.02) =   0.004%
          HB    VAL   75 - QD    PHE   72   9.98 +/- 0.71   0.692% *  0.3102% (0.98  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - QD    PHE   72   8.25 +/- 1.01   2.314% *  0.0705% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QD    PHE   72  10.63 +/- 0.99   0.484% *  0.0789% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   72  10.85 +/- 0.82   0.382% *  0.0977% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.87, residual support = 39.8:
          QD2   LEU   73 - QD    PHE   72   4.60 +/- 0.33  84.127% * 99.0064% (0.95   5.87  39.85) =  99.979%  kept
          QD1   ILE   56 - QD    PHE   72   9.19 +/- 0.85   1.806% *  0.3536% (0.99   0.02   0.02) =   0.008%
          QG1   VAL   43 - QD    PHE   72   6.74 +/- 0.53   9.304% *  0.0551% (0.15   0.02   0.02) =   0.006%
          QG1   VAL   41 - QD    PHE   72   7.91 +/- 0.61   4.066% *  0.0992% (0.28   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   72  11.52 +/- 1.18   0.443% *  0.2980% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  12.46 +/- 1.10   0.254% *  0.1877% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.05, residual support = 39.5:
        T QB    ALA   64 - QD    PHE   72   2.41 +/- 0.38  99.956% * 99.9781% (0.80 10.00   5.05  39.53) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.72 +/- 1.15   0.044% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 1.84, residual support = 39.1:
        T QG2   VAL   70 - QD    PHE   72   2.85 +/- 0.32 100.000% *100.0000% (0.65 10.00   1.84  39.07) = 100.000%  kept
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.06, residual support = 39.5:
        T HA    ALA   64 - QE    PHE   72   2.70 +/- 0.44  99.415% * 99.5248% (0.38 10.00   4.06  39.53) =  99.999%  kept
          QE    LYS+  66 - QE    PHE   72   7.91 +/- 0.97   0.582% *  0.2123% (0.80  1.00   0.02   0.17) =   0.001%
          HB3   ASN   35 - QE    PHE   72  16.49 +/- 0.77   0.002% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.78, residual support = 39.1:
        T HB    VAL   70 - QE    PHE   72   2.64 +/- 0.79  98.979% * 98.7668% (0.99 10.00   3.78  39.07) =  99.994%  kept
        T QG    GLN   17 - QE    PHE   72   8.16 +/- 0.87   0.548% *  0.9617% (0.97 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - QE    PHE   72   8.98 +/- 1.28   0.235% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.38 +/- 0.84   0.203% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.90 +/- 1.10   0.016% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.80 +/- 0.72   0.002% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.68 +/- 0.72   0.012% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.91 +/- 0.61   0.006% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 3.07, residual support = 35.0:
        T HB2   LEU   67 - QE    PHE   72   2.59 +/- 0.71  95.034% * 91.7940% (0.45 10.00   3.08  35.14) =  99.690%  kept
          HG2   PRO   68 - QE    PHE   72   7.40 +/- 1.19   3.651% *  7.3958% (0.80  1.00   0.90   0.02) =   0.309%
          HB    ILE   19 - QE    PHE   72   8.26 +/- 0.77   0.244% *  0.1487% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QE    PHE   72   7.40 +/- 1.12   0.530% *  0.0456% (0.22  1.00   0.02   6.27) =   0.000%
          QB    GLU-  15 - QE    PHE   72   8.34 +/- 1.55   0.335% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  10.84 +/- 1.27   0.040% *  0.1710% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  11.78 +/- 1.27   0.033% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   9.09 +/- 0.88   0.117% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.41 +/- 0.89   0.015% *  0.1776% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.17 +/- 0.78   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 3.05, residual support = 34.5:
          HB3   LEU   67 - QE    PHE   72   3.27 +/- 0.73  87.569% * 73.0355% (0.38   3.08  35.14) =  98.054%  kept
          QG    LYS+  66 - QE    PHE   72   6.29 +/- 0.95   6.566% * 18.5273% (0.22   1.32   0.17) =   1.865%  kept
          HG12  ILE   19 - QE    PHE   72   8.75 +/- 1.74   3.032% *  1.0542% (0.84   0.02   0.02) =   0.049%
          QB    ALA   61 - QE    PHE   72   6.87 +/- 0.59   2.026% *  0.6640% (0.53   0.02   0.02) =   0.021%
          QB    LEU   98 - QE    PHE   72   9.32 +/- 0.82   0.297% *  0.8164% (0.65   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QE    PHE   72  10.53 +/- 1.68   0.184% *  1.1651% (0.92   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QE    PHE   72  10.19 +/- 0.64   0.146% *  1.1319% (0.90   0.02   0.02) =   0.003%
          QB    ALA  110 - QE    PHE   72  12.07 +/- 1.89   0.100% *  0.9645% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  14.26 +/- 1.99   0.064% *  0.4737% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  17.09 +/- 2.14   0.008% *  1.2509% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.96 +/- 2.37   0.008% *  0.9165% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.41, support = 4.12, residual support = 35.1:
        T QD1   LEU   67 - QE    PHE   72   2.84 +/- 0.38  82.079% * 98.1791% (0.41 10.00   4.12  35.14) =  99.847%  kept
        T QD1   ILE  119 - QE    PHE   72   6.89 +/- 2.28   9.348% *  1.2564% (0.53 10.00   0.02   0.02) =   0.146%
          QD2   LEU   40 - QE    PHE   72   5.50 +/- 0.86   3.884% *  0.1071% (0.45  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - QE    PHE   72  10.17 +/- 2.20   4.464% *  0.0368% (0.15  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - QE    PHE   72   9.45 +/- 1.25   0.098% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.69 +/- 0.90   0.022% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.28 +/- 1.01   0.052% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.15 +/- 1.00   0.052% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.656, support = 4.46, residual support = 21.2:
          HB3   LEU   63 - QE    PHE   72   2.64 +/- 1.13  57.812% * 81.3394% (0.73   4.51  18.64) =  87.251%  kept
          QG1   VAL   70 - QE    PHE   72   2.94 +/- 0.78  38.368% * 17.8915% (0.18   4.12  39.07) =  12.737%  kept
          QD1   LEU   40 - QE    PHE   72   4.31 +/- 0.45   3.383% *  0.1533% (0.31   0.02   0.02) =   0.010%
          QG1   VAL  108 - QE    PHE   72  11.59 +/- 2.31   0.151% *  0.4921% (0.99   0.02   0.02) =   0.001%
          QG1   VAL   18 - QE    PHE   72   6.68 +/- 0.83   0.286% *  0.1238% (0.25   0.02   6.27) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.838, support = 3.78, residual support = 18.6:
          QD1   LEU   63 - QE    PHE   72   3.35 +/- 0.89  47.374% * 52.0103% (0.98   3.31  18.64) =  51.390%  kept
          QD2   LEU   63 - QE    PHE   72   3.26 +/- 1.09  49.551% * 47.0235% (0.69   4.27  18.64) =  48.598%  kept
          QD2   LEU  115 - QE    PHE   72   8.15 +/- 1.49   1.266% *  0.2326% (0.73   0.02   0.02) =   0.006%
          QD1   LEU  104 - QE    PHE   72   8.14 +/- 1.44   0.964% *  0.1436% (0.45   0.02   0.02) =   0.003%
          QD1   LEU   73 - QE    PHE   72   8.08 +/- 0.23   0.400% *  0.3139% (0.98   0.02  39.85) =   0.003%
          QG2   VAL   41 - QE    PHE   72   8.08 +/- 0.45   0.419% *  0.0561% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   72  13.32 +/- 1.75   0.024% *  0.2200% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.672, support = 3.97, residual support = 37.1:
          QB    ALA   64 - QE    PHE   72   3.36 +/- 0.50  37.191% * 95.0850% (0.69   4.26  39.53) =  92.765%  kept
          QG1   VAL   42 - QE    PHE   72   2.90 +/- 0.66  62.795% *  4.3919% (0.49   0.28   5.86) =   7.235%  kept
          QB    ALA   47 - QE    PHE   72  13.64 +/- 1.05   0.006% *  0.3944% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  14.07 +/- 1.61   0.008% *  0.1287% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.96, residual support = 39.1:
        T QG2   VAL   70 - QE    PHE   72   2.22 +/- 0.31 100.000% *100.0000% (0.90 10.00   4.96  39.07) = 100.000%  kept
    Distance limit 4.16 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 = 0.646, support = 2.79, residual support = 39.5:
        T HA    ALA   64 - HZ    PHE   72   3.48 +/- 0.82  97.263% * 96.3589% (0.65 10.00   2.80  39.53) =  99.898%  kept
          QE    LYS+  66 - HZ    PHE   72   8.20 +/- 1.18   2.730% *  3.5167% (0.53  1.00   0.90   0.17) =   0.102%
          HB3   ASN   35 - HZ    PHE   72  19.19 +/- 1.02   0.007% *  0.1244% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 39.1:
        T HB    VAL   70 - HZ    PHE   72   3.74 +/- 0.94  98.841% * 98.2503% (0.92 10.00   3.30  39.07) =  99.992%  kept
        T QG    GLN   17 - HZ    PHE   72  10.11 +/- 0.93   0.406% *  1.0272% (0.97 10.00   0.02   0.02) =   0.004%
        T HB2   MET   96 - HZ    PHE   72  10.85 +/- 1.62   0.698% *  0.5600% (0.53 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HZ    PHE   72  16.97 +/- 1.12   0.019% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.76 +/- 1.32   0.032% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.16 +/- 0.81   0.004% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 2.94, residual support = 35.0:
        T HB2   LEU   67 - HZ    PHE   72   3.08 +/- 0.98  93.678% * 91.8297% (0.45 10.00   2.96  35.14) =  99.509%  kept
          HG2   PRO   68 - HZ    PHE   72   8.69 +/- 1.80   5.758% *  7.3598% (0.80  1.00   0.90   0.02) =   0.490%
          HB    VAL   18 - HZ    PHE   72   9.21 +/- 1.25   0.271% *  0.0456% (0.22  1.00   0.02   6.27) =   0.000%
          HB    ILE   19 - HZ    PHE   72  10.30 +/- 0.80   0.077% *  0.1487% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  12.38 +/- 1.61   0.043% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  13.13 +/- 1.85   0.038% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  10.44 +/- 1.67   0.073% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.29 +/- 1.06   0.012% *  0.1777% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  11.15 +/- 1.00   0.050% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.58 +/- 0.88   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 1 structures by 0.09 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 2.91, residual support = 34.3:
          HB3   LEU   67 - HZ    PHE   72   3.97 +/- 0.81  85.631% * 76.8932% (0.38   2.96  35.14) =  97.558%  kept
          QG    LYS+  66 - HZ    PHE   72   6.54 +/- 1.05  11.730% * 13.8435% (0.22   0.90   0.17) =   2.406%  kept
          QB    ALA   61 - HZ    PHE   72   8.28 +/- 0.56   1.292% *  0.7290% (0.53   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - HZ    PHE   72  11.03 +/- 1.88   0.378% *  1.2791% (0.92   0.02   0.02) =   0.007%
          HG12  ILE   19 - HZ    PHE   72  10.94 +/- 1.89   0.386% *  1.1574% (0.84   0.02   0.02) =   0.007%
          QB    LEU   98 - HZ    PHE   72  10.82 +/- 0.94   0.306% *  0.8964% (0.65   0.02   0.02) =   0.004%
          QB    ALA  110 - HZ    PHE   72  13.90 +/- 2.09   0.132% *  1.0590% (0.76   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HZ    PHE   72  12.54 +/- 0.68   0.108% *  1.2427% (0.90   0.02   0.02) =   0.002%
          QB    ALA   12 - HZ    PHE   72  16.84 +/- 2.26   0.022% *  0.5201% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  20.28 +/- 2.41   0.007% *  1.3734% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  20.12 +/- 2.67   0.008% *  1.0062% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.96, residual support = 35.1:
        T QD1   LEU   67 - HZ    PHE   72   2.70 +/- 0.51  94.183% * 96.1534% (0.41 10.00   3.96  35.14) =  99.937%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.65 +/- 2.58   4.499% *  1.2305% (0.53 10.00   0.02   0.02) =   0.061%
          QD2   LEU   40 - HZ    PHE   72   6.42 +/- 0.80   0.995% *  0.1049% (0.45  1.00   0.02   0.02) =   0.001%
        T HB    VAL   75 - HZ    PHE   72  14.24 +/- 1.02   0.008% *  2.2925% (0.98 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  11.82 +/- 2.44   0.180% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  10.34 +/- 1.61   0.089% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.59 +/- 1.28   0.030% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.52 +/- 1.06   0.016% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.829, support = 3.0, residual support = 22.8:
        T HB3   LEU   63 - HZ    PHE   72   3.22 +/- 1.31  59.040% * 71.5017% (0.95 10.00   3.10  18.64) =  79.582%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.51 +/- 0.94  38.176% * 28.3684% (0.38 10.00   2.57  39.07) =  20.416%  kept
          QD1   LEU  123 - HZ    PHE   72   8.58 +/- 2.89   1.979% *  0.0150% (0.20  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HZ    PHE   72  13.44 +/- 2.55   0.435% *  0.0631% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HZ    PHE   72   8.33 +/- 0.94   0.168% *  0.0368% (0.49  1.00   0.02   6.27) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   8.38 +/- 0.90   0.202% *  0.0150% (0.20  1.00   0.02  20.18) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.782, support = 2.47, residual support = 18.6:
          QD2   LEU   63 - HZ    PHE   72   3.35 +/- 1.16  78.881% * 33.8218% (0.69   2.22  18.64) =  67.585%  kept
          QD1   LEU   63 - HZ    PHE   72   4.42 +/- 1.00  19.729% * 64.8408% (0.98   2.98  18.64) =  32.406%  kept
          QD2   LEU  115 - HZ    PHE   72   9.31 +/- 1.50   0.454% *  0.3219% (0.73   0.02   0.02) =   0.004%
          QD1   LEU  104 - HZ    PHE   72   8.92 +/- 1.65   0.478% *  0.1988% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   73 - HZ    PHE   72   9.85 +/- 0.25   0.203% *  0.4346% (0.98   0.02  39.85) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   9.68 +/- 0.51   0.243% *  0.0776% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HZ    PHE   72  15.85 +/- 1.99   0.013% *  0.3045% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 39.1:
        T QG2   VAL   70 - HZ    PHE   72   3.08 +/- 0.54 100.000% *100.0000% (0.90 10.00   4.44  39.07) = 100.000%  kept
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.86, residual support = 74.3:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.86  74.34) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.3:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  74.34) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.33 +/- 2.02   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 1.04, residual support = 74.3:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.996% * 99.8601% (0.98  10.0 10.00   1.04  74.34) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  15.76 +/- 4.46   0.003% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  18.80 +/- 2.66   0.001% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.3:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.624% * 99.5607% (0.99  10.0   1.00  74.34) =  99.999%  kept
          HD21  ASN   28 - HH2   TRP   87   9.92 +/- 5.45   0.373% *  0.1969% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HH2   TRP   87  16.34 +/- 4.05   0.003% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  22.74 +/- 4.31   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  22.55 +/- 2.62   0.000% *  0.0620% (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 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.3:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.232% * 99.7330% (0.90  10.0   1.00  74.34) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.90 +/- 0.63   0.766% *  0.0027% (0.01   1.0   0.02  20.73) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  24.74 +/- 5.18   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  22.17 +/- 3.19   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.56 +/- 1.18   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  22.55 +/- 2.62   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.864, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   27 - HZ2   TRP   87   7.56 +/- 6.33  86.009% * 81.3674% (0.87   0.02   0.02) =  99.655%  kept
          HZ2   TRP   27 - HN    ILE   56  20.31 +/- 1.20   3.176% *  3.5312% (0.04   0.02   0.02) =   0.160%
          HZ    PHE   72 - HN    ILE   56  15.19 +/- 1.49  10.367% *  0.6281% (0.01   0.02   0.02) =   0.093%
          HZ    PHE   72 - HZ2   TRP   87  20.03 +/- 5.06   0.448% * 14.4733% (0.15   0.02   0.02) =   0.092%
    Distance limit 4.44 A violated in 7 structures by 3.39 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.678, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  19.16 +/- 2.67  16.598% * 22.0041% (0.99   0.02   0.02) =  27.273%  kept
          QE    PHE   95 - HZ3   TRP   87  16.09 +/- 3.47  29.038% * 10.8062% (0.49   0.02   0.02) =  23.432%  kept
          HD21  ASN   35 - HZ3   TRP   87  17.92 +/- 6.72  24.540% * 11.6802% (0.53   0.02   0.02) =  21.404%  kept
          HN    THR   23 - HZ3   TRP   87  17.03 +/- 3.45  19.873% * 11.6802% (0.53   0.02   0.02) =  17.333%  kept
          HD2   HIS   22 - HZ3   TRP   87  21.10 +/- 3.60   4.698% * 20.4937% (0.92   0.02   0.02) =   7.190%  kept
          HN    LEU   67 - HZ3   TRP   87  25.48 +/- 5.04   1.645% * 19.9101% (0.90   0.02   0.02) =   2.446%  kept
          QD    PHE   55 - HZ3   TRP   87  22.53 +/- 2.48   3.607% *  3.4254% (0.15   0.02   0.02) =   0.923%  kept
    Distance limit 3.87 A violated in 20 structures by 8.54 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   4.53 +/- 0.23  99.839% * 97.7183% (0.38   3.73  22.55) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  16.07 +/- 2.82   0.076% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  16.35 +/- 3.26   0.073% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  21.60 +/- 3.34   0.011% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.58:
          QD1   LEU   31 - HH2   TRP   87   8.40 +/- 5.88 100.000% *100.0000% (0.80   0.75   1.58) = 100.000%  kept
    Distance limit 5.06 A violated in 13 structures by 3.64 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.512, support = 0.807, residual support = 0.479:
          QD2   LEU   98 - HH2   TRP   87   9.94 +/- 5.76  32.433% * 20.2722% (0.53  1.00   0.58   0.45) =  36.116%  kept
          QD1   LEU   80 - HH2   TRP   87  10.31 +/- 1.80  12.801% * 43.9782% (0.53  1.00   1.26   0.67) =  30.924%  kept
          QG2   VAL   41 - HH2   TRP   87  10.67 +/- 5.79  16.066% * 21.6117% (0.73  1.00   0.45   0.11) =  19.073%  kept
          QD2   LEU   80 - HH2   TRP   87   8.83 +/- 2.36  26.081% *  9.3256% (0.15  1.00   0.91   0.67) =  13.360%  kept
          QD1   LEU   73 - HH2   TRP   87  10.96 +/- 4.71   9.818% *  0.5946% (0.45  1.00   0.02   0.02) =   0.321%
        T QD2   LEU  115 - HH2   TRP   87  19.44 +/- 3.79   0.926% *  2.3229% (0.18 10.00   0.02   0.02) =   0.118%
          QD2   LEU   63 - HH2   TRP   87  17.91 +/- 4.24   0.693% *  1.3001% (0.98  1.00   0.02   0.02) =   0.050%
          QD1   LEU   63 - HH2   TRP   87  16.60 +/- 3.94   1.182% *  0.5946% (0.45  1.00   0.02   0.02) =   0.039%
    Distance limit 4.91 A violated in 12 structures by 1.90 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.71, support = 0.02, residual support = 0.348:
          QD1   LEU   98 - HH2   TRP   87  10.56 +/- 5.60  64.380% * 30.8031% (0.76   0.02   0.45) =  76.840%  kept
          QD2   LEU  104 - HH2   TRP   87  15.59 +/- 5.85   8.795% * 29.2682% (0.73   0.02   0.02) =   9.974%  kept
          QG2   THR   46 - HH2   TRP   87  13.53 +/- 2.66  17.211% * 10.0504% (0.25   0.02   0.02) =   6.702%  kept
          QD1   ILE   19 - HH2   TRP   87  16.19 +/- 4.55   6.311% * 22.8195% (0.57   0.02   0.02) =   5.580%  kept
          QG2   VAL   18 - HH2   TRP   87  17.50 +/- 4.07   3.303% *  7.0588% (0.18   0.02   0.02) =   0.903%  kept
    Distance limit 4.46 A violated in 19 structures by 4.64 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.57, residual support = 74.3:
        T HA    TRP   87 - HE3   TRP   87   3.31 +/- 0.20  99.994% * 99.8092% (0.80 10.00   3.57  74.34) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  23.65 +/- 3.37   0.001% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  19.76 +/- 5.86   0.004% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  25.16 +/- 3.11   0.001% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 74.3:
      O T HB2   TRP   87 - HE3   TRP   87   2.49 +/- 0.06 100.000% * 99.0099% (1.00  10.0 10.00   3.26  74.34) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  20.60 +/- 3.39   0.000% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.928, support = 0.0198, residual support = 0.0198:
        T QD1   ILE  103 - HE3   TRP   87  10.76 +/- 5.32  62.278% * 76.5748% (0.95 10.00   0.02   0.02) =  97.874%  kept
          QG2   ILE  103 - HE3   TRP   87  12.46 +/- 5.08  20.145% *  2.2507% (0.28  1.00   0.02   0.02) =   0.931%  kept
          QD2   LEU   71 - HE3   TRP   87  18.96 +/- 4.29   2.802% *  7.0218% (0.87  1.00   0.02   0.02) =   0.404%
          QG2   ILE  119 - HE3   TRP   87  21.78 +/- 3.27   1.565% *  8.0949% (1.00  1.00   0.02   0.02) =   0.260%
          HG3   LYS+  74 - HE3   TRP   87  18.62 +/- 2.95   4.160% *  3.0381% (0.38  1.00   0.02   0.02) =   0.259%
          QD2   LEU   40 - HE3   TRP   87  15.90 +/- 4.79   6.647% *  1.4177% (0.18  1.00   0.02   0.02) =   0.193%
          QD1   LEU   67 - HE3   TRP   87  19.58 +/- 3.98   2.403% *  1.6020% (0.20  1.00   0.02   0.02) =   0.079%
    Distance limit 4.99 A violated in 19 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 74.3:
          HA    TRP   87 - HD1   TRP   87   4.56 +/- 0.10  99.966% * 99.1088% (0.80   4.25  74.34) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  21.59 +/- 2.40   0.011% *  0.5619% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  20.89 +/- 4.09   0.017% *  0.0898% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  24.24 +/- 2.71   0.006% *  0.2394% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.93, residual support = 12.3:
        T HA    VAL   83 - HD1   TRP   87   5.13 +/- 0.84  97.296% * 95.9068% (0.41 10.00   3.93  12.33) =  99.975%  kept
        T HA    VAL   24 - HD1   TRP   87  10.84 +/- 2.80   2.632% *  0.8755% (0.38 10.00   0.02   0.02) =   0.025%
        T HA    LYS+  38 - HD1   TRP   87  23.90 +/- 4.01   0.016% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  22.66 +/- 4.25   0.023% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  21.32 +/- 1.97   0.032% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 10 structures by 0.70 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 74.3:
      O   HB2   TRP   87 - HD1   TRP   87   3.85 +/- 0.03  99.987% * 99.0099% (1.00  10.0  1.00   3.93  74.34) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.83 +/- 2.55   0.013% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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   3.67 +/- 0.25  99.827% * 98.2033% (1.00 10.00   3.60  22.55) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  15.05 +/- 2.65   0.034% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  21.88 +/- 4.57   0.004% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  11.96 +/- 1.21   0.127% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  19.96 +/- 3.00   0.006% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.72 +/- 2.73   0.003% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 3.79, residual support = 74.3:
      O   HB3   TRP   87 - HD1   TRP   87   2.75 +/- 0.05  99.963% * 99.2543% (0.25  10.0   3.79  74.34) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  12.58 +/- 4.28   0.036% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  26.16 +/- 4.00   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  23.12 +/- 2.72   0.000% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  25.38 +/- 2.49   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.841, support = 3.02, residual support = 14.2:
        T QG2   VAL   83 - HD1   TRP   87   3.35 +/- 0.78  32.930% * 87.3859% (0.90 10.00   2.74  12.33) =  77.491%  kept
          QD1   ILE   89 - HD1   TRP   87   2.64 +/- 0.79  66.822% * 12.5087% (0.65  1.00   3.97  20.80) =  22.509%  kept
          QG2   VAL   43 - HD1   TRP   87   8.33 +/- 3.08   0.228% *  0.0132% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87  11.98 +/- 3.67   0.019% *  0.0922% (0.95  1.00   0.02   1.58) =   0.000%
    Distance limit 3.72 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 = 0.94, support = 1.0, residual support = 20.6:
        T QG2   ILE   89 - HD1   TRP   87   3.96 +/- 0.20  81.801% * 89.5181% (0.95 10.00   0.99  20.80) =  97.479%  kept
          QG1   VAL   83 - HD1   TRP   87   5.46 +/- 0.93  18.159% * 10.4287% (0.73  1.00   1.50  12.33) =   2.521%  kept
          QD1   LEU  104 - HD1   TRP   87  17.82 +/- 4.13   0.040% *  0.0532% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.37, support = 0.89, residual support = 0.523:
          QD2   LEU   80 - HZ2   TRP   87   6.86 +/- 2.36  35.693% * 15.7925% (0.15   1.22   0.67) =  46.455%  kept
          QD2   LEU   98 - HZ2   TRP   87  10.29 +/- 5.06  10.472% * 30.2810% (0.53   0.68   0.45) =  26.133%  kept
          QG2   VAL   41 - HZ2   TRP   87  10.67 +/- 5.11   5.475% * 31.8497% (0.73   0.52   0.11) =  14.370%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.34 +/- 1.82   7.421% * 17.4546% (0.53   0.39   0.67) =  10.675%  kept
          QD2   LEU  115 - HN    ILE   56   6.79 +/- 1.01  27.994% *  0.8918% (0.01   1.39   0.34) =   2.057%  kept
          QD1   LEU   73 - HZ2   TRP   87  10.06 +/- 4.26   4.112% *  0.7543% (0.45   0.02   0.02) =   0.256%
          QD1   LEU   63 - HN    ILE   56   8.79 +/- 0.94   5.897% *  0.0327% (0.02   0.02   0.02) =   0.016%
          QD2   LEU   63 - HZ2   TRP   87  17.29 +/- 3.89   0.100% *  1.6491% (0.98   0.02   0.02) =   0.014%
          QD1   LEU   63 - HZ2   TRP   87  15.83 +/- 3.64   0.179% *  0.7543% (0.45   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    ILE   56  10.69 +/- 0.97   1.538% *  0.0716% (0.04   0.02   0.02) =   0.009%
          QD2   LEU  115 - HZ2   TRP   87  18.70 +/- 3.63   0.084% *  0.2946% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE   56  16.08 +/- 1.58   0.371% *  0.0384% (0.02   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ILE   56  16.28 +/- 1.08   0.165% *  0.0327% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.80 +/- 0.97   0.089% *  0.0530% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  17.42 +/- 1.74   0.113% *  0.0384% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.18 +/- 1.55   0.298% *  0.0113% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 2 structures by 0.27 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 0.674, residual support = 1.41:
          QD1   LEU   31 - HZ2   TRP   87   8.28 +/- 5.24  35.790% * 92.4210% (0.15   0.75   1.58) =  89.608%  kept
          QG2   VAL   43 - HZ2   TRP   87   7.40 +/- 4.40  53.123% *  7.1612% (0.45   0.02   0.02) =  10.306%  kept
          QG2   VAL   43 - HN    ILE   56  13.63 +/- 1.12   9.863% *  0.3108% (0.02   0.02   0.02) =   0.083%
          QD1   LEU   31 - HN    ILE   56  19.35 +/- 1.06   1.223% *  0.1070% (0.01   0.02   0.02) =   0.004%
    Distance limit 4.88 A violated in 7 structures by 2.07 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 2.56, residual support = 58.1:
          HA    TRP   49 - HE3   TRP   49   4.31 +/- 0.45  52.750% * 54.8780% (0.69   3.10  86.17) =  65.909%  kept
          HA    CYS   50 - HE3   TRP   49   4.97 +/- 1.72  43.056% * 34.1821% (0.87   1.53   3.58) =  33.508%  kept
          HA    ALA   47 - HE3   TRP   49   7.72 +/- 0.90   2.545% *  9.8236% (0.76   0.50  15.95) =   0.569%  kept
          HA    VAL  108 - HE3   TRP   49  15.37 +/- 2.71   1.045% *  0.3333% (0.65   0.02   0.02) =   0.008%
          HA1   GLY  109 - HE3   TRP   49  14.61 +/- 2.80   0.592% *  0.4303% (0.84   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HE3   TRP   49  29.77 +/- 4.17   0.009% *  0.1020% (0.20   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  22.67 +/- 1.57   0.003% *  0.2508% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 86.2:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.714% * 98.2525% (1.00   3.62  86.17) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  14.48 +/- 1.78   0.234% *  0.2041% (0.38   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  19.98 +/- 2.06   0.034% *  0.2235% (0.41   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE3   TRP   49  24.46 +/- 2.33   0.010% *  0.5329% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  26.23 +/- 1.21   0.006% *  0.4353% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  32.65 +/- 2.65   0.002% *  0.3517% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.77 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.82, support = 0.0199, residual support = 82.5:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  92.339% * 16.7579% (0.84   0.02  86.17) =  95.786%  kept
          QD    PHE   55 - HH2   TRP   49  12.39 +/- 2.55   5.686% *  6.8436% (0.34   0.02   0.02) =   2.409%  kept
          QE    PHE   95 - HH2   TRP   49  13.67 +/- 1.53   1.631% * 15.3326% (0.76   0.02   0.02) =   1.548%  kept
          HN    THR   23 - HH2   TRP   49  20.24 +/- 1.88   0.142% * 16.0651% (0.80   0.02   0.02) =   0.142%
          HE3   TRP   27 - HH2   TRP   49  21.06 +/- 2.12   0.117% *  5.5782% (0.28   0.02   0.02) =   0.041%
          HN    LEU   67 - HH2   TRP   49  26.12 +/- 1.89   0.030% * 20.0629% (1.00   0.02   0.02) =   0.038%
          HD2   HIS   22 - HH2   TRP   49  25.01 +/- 1.78   0.038% * 13.7814% (0.69   0.02   0.02) =   0.032%
          HD21  ASN   35 - HH2   TRP   49  31.05 +/- 3.34   0.016% *  5.5782% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.22 A violated in 20 structures by 2.35 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.743, support = 4.1, residual support = 56.4:
          HA    TRP   49 - HD1   TRP   49   4.32 +/- 0.34  46.589% * 45.5069% (0.69   4.90  86.17) =  62.144%  kept
          HA    CYS   50 - HD1   TRP   49   5.49 +/- 1.33  21.442% * 40.8144% (0.87   3.48   3.58) =  25.653%  kept
          HA    ALA   47 - HD1   TRP   49   4.75 +/- 0.93  31.794% * 13.0933% (0.76   1.27  15.95) =  12.202%  kept
          HA    VAL  108 - HD1   TRP   49  15.03 +/- 2.73   0.125% *  0.1748% (0.65   0.02   0.02) =   0.001%
          HA1   GLY  109 - HD1   TRP   49  15.16 +/- 2.82   0.041% *  0.2257% (0.84   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  19.37 +/- 1.48   0.007% *  0.1315% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  28.36 +/- 3.69   0.001% *  0.0535% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.583, support = 0.02, residual support = 0.341:
          QD1   LEU   98 - HZ3   TRP   87  10.79 +/- 5.55  87.053% * 31.1453% (0.45   0.02   0.45) =  75.256%  kept
          QG2   ILE   19 - HZ3   TRP   87  16.18 +/- 4.05  12.947% * 68.8547% (0.99   0.02   0.02) =  24.744%  kept
    Distance limit 5.12 A violated in 18 structures by 5.13 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.706, support = 0.02, residual support = 0.02:
          QD1   ILE  103 - HZ3   TRP   87  10.30 +/- 5.93  56.968% * 11.2532% (0.65   0.02   0.02) =  58.360%  kept
          QG2   ILE  103 - HZ3   TRP   87  12.18 +/- 5.68  13.593% * 16.4554% (0.95   0.02   0.02) =  20.362%  kept
          HB    VAL   75 - HZ3   TRP   87  12.96 +/- 4.27  18.792% *  4.3376% (0.25   0.02   0.02) =   7.421%  kept
          QD2   LEU   40 - HZ3   TRP   87  15.22 +/- 5.49   4.098% * 14.5299% (0.84   0.02   0.02) =   5.420%  kept
          HG3   LYS+  74 - HZ3   TRP   87  18.94 +/- 3.29   2.243% * 17.2415% (0.99   0.02   0.02) =   3.520%  kept
          QD2   LEU   71 - HZ3   TRP   87  18.16 +/- 4.98   1.901% * 13.2941% (0.76   0.02   0.02) =   2.301%  kept
          QD1   LEU   67 - HZ3   TRP   87  19.28 +/- 4.56   1.369% * 15.0893% (0.87   0.02   0.02) =   1.880%  kept
          QG2   ILE  119 - HZ3   TRP   87  22.05 +/- 3.77   1.037% *  7.7989% (0.45   0.02   0.02) =   0.736%  kept
    Distance limit 5.38 A violated in 15 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 0.0199, residual support = 0.0433:
          HG12  ILE  103 - HZ3   TRP   87  13.30 +/- 7.16  47.517% * 11.3326% (0.76   0.02   0.02) =  46.069%  kept
          HB    VAL   41 - HZ3   TRP   87  14.52 +/- 6.74  23.230% * 13.2989% (0.90   0.02   0.11) =  26.430%  kept
          HG2   PRO   93 - HZ3   TRP   87  17.49 +/- 2.63   9.116% * 14.0274% (0.95   0.02   0.02) =  10.940%  kept
          QB    LYS+ 102 - HZ3   TRP   87  16.23 +/- 6.57   8.453% * 11.3326% (0.76   0.02   0.02) =   8.196%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.73 +/- 2.62   5.151% *  7.2180% (0.49   0.02   0.02) =   3.181%  kept
          HB2   LEU   71 - HZ3   TRP   87  18.81 +/- 6.12   3.936% *  8.9941% (0.61   0.02   0.02) =   3.029%  kept
          QB    LYS+  66 - HZ3   TRP   87  24.02 +/- 4.16   0.928% * 14.6976% (0.99   0.02   0.02) =   1.167%  kept
          QB    LYS+  65 - HZ3   TRP   87  24.81 +/- 3.83   0.823% *  9.5928% (0.65   0.02   0.02) =   0.675%  kept
          HG    LEU  123 - HZ3   TRP   87  29.19 +/- 5.00   0.352% *  7.2180% (0.49   0.02   0.02) =   0.218%
          HB3   GLN   17 - HZ3   TRP   87  26.75 +/- 4.94   0.492% *  2.2880% (0.15   0.02   0.02) =   0.096%
    Distance limit 5.42 A violated in 20 structures by 5.00 A, eliminated.
    Peak unassigned.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.87, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.18 +/- 0.62 100.000% *100.0000% (0.61   3.87  73.54) = 100.000%  kept
    Distance limit 4.73 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   2.51 +/- 0.41 100.000% *100.0000% (0.98 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 4.77 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 = 4.58:
          HA    ASP-  44 - QD    PHE   95   3.46 +/- 1.04  98.103% * 93.1915% (0.90   2.00   4.58) =  99.989%  kept
          HA    ILE  103 - QD    PHE   95  10.78 +/- 1.04   0.753% *  0.7546% (0.73   0.02   0.02) =   0.006%
          HA    LEU  104 - QD    PHE   95  11.36 +/- 1.20   0.717% *  0.2889% (0.28   0.02   0.02) =   0.002%
          HB    THR   77 - QD    PHE   95  12.28 +/- 1.42   0.190% *  0.8679% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - QD    PHE   95  17.22 +/- 1.74   0.031% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  17.55 +/- 2.33   0.031% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.92 +/- 1.33   0.081% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.36 +/- 1.24   0.052% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  18.72 +/- 1.84   0.018% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.88 +/- 1.31   0.019% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  23.55 +/- 2.50   0.003% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.45 +/- 2.62   0.002% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 1 structures by 0.11 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   2.40 +/- 0.16 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.54) = 100.000%  kept
    Distance limit 4.26 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   2.58 +/- 0.17  99.960% * 99.8712% (0.99  10.0 10.00   3.31  73.54) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95  10.04 +/- 1.42   0.039% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.81 +/- 1.34   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 45.5:
        T HB    VAL  107 - QD    PHE   95   2.65 +/- 0.93  97.521% * 99.7392% (0.92 10.00   3.84  45.49) =  99.999%  kept
          HB3   PHE   45 - QD    PHE   95   7.47 +/- 1.22   1.821% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QE    LYS+ 112 - QD    PHE   95   8.64 +/- 1.79   0.640% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  15.07 +/- 1.11   0.015% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  18.03 +/- 0.89   0.004% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.742, support = 0.742, residual support = 4.03:
          HB3   ASP-  44 - QD    PHE   95   3.75 +/- 1.69  68.171% * 26.1215% (0.76   0.75   4.58) =  78.038%  kept
          HB2   LEU   63 - QD    PHE   95   6.08 +/- 1.89  11.107% * 22.1113% (0.65   0.75   4.05) =  10.763%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.76 +/- 1.05   5.788% * 25.0303% (0.61   0.91   0.02) =   6.349%  kept
          HB3   PRO   93 - QD    PHE   95   5.61 +/- 0.79   6.940% * 10.8087% (1.00   0.24   0.02) =   3.287%  kept
          HB    VAL   42 - QD    PHE   95   7.44 +/- 1.24   3.220% * 10.5496% (0.31   0.75   1.45) =   1.489%  kept
          HG2   LYS+ 111 - QD    PHE   95   9.55 +/- 2.02   3.640% *  0.2813% (0.31   0.02   0.02) =   0.045%
          HG    LEU   98 - QD    PHE   95   9.80 +/- 1.23   0.374% *  0.8796% (0.97   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - QD    PHE   95  10.21 +/- 1.28   0.273% *  0.4437% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   73 - QD    PHE   95   9.82 +/- 1.07   0.239% *  0.3421% (0.38   0.02   0.02) =   0.004%
          QB    ALA   84 - QD    PHE   95  12.23 +/- 1.36   0.080% *  0.9094% (1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - QD    PHE   95  14.37 +/- 1.60   0.031% *  0.8174% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.47 +/- 1.58   0.071% *  0.2813% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  14.66 +/- 1.73   0.023% *  0.4795% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.05 +/- 1.27   0.020% *  0.3747% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.53 +/- 0.87   0.016% *  0.3421% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.58 +/- 0.98   0.008% *  0.2273% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.85, residual support = 45.5:
        T QG2   VAL  107 - QD    PHE   95   2.61 +/- 0.69  99.819% * 99.7831% (0.99 10.00   3.85  45.49) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95  10.10 +/- 1.01   0.095% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.23 +/- 1.48   0.050% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.64 +/- 0.89   0.036% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.937, support = 1.64, residual support = 4.01:
        T QD2   LEU  115 - QD    PHE   95   5.38 +/- 1.80  18.700% * 76.5346% (0.99 10.00   0.87   3.98) =  50.213%  kept
          QD1   LEU   63 - QD    PHE   95   3.73 +/- 1.93  70.978% * 19.5203% (0.90  1.00   2.45   4.05) =  48.612%  kept
          QD2   LEU   63 - QD    PHE   95   5.25 +/- 2.02   9.834% *  3.3970% (0.31  1.00   1.24   4.05) =   1.172%  kept
          QD1   LEU  104 - QD    PHE   95   9.63 +/- 1.43   0.243% *  0.1483% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - QD    PHE   95   9.08 +/- 0.85   0.145% *  0.1592% (0.90  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD    PHE   95  11.55 +/- 1.53   0.048% *  0.1740% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   95  12.78 +/- 2.16   0.052% *  0.0666% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 1.45:
        T QG1   VAL   42 - QD    PHE   95   4.45 +/- 1.10  89.984% * 93.9340% (0.65 10.00   0.75   1.45) =  99.725%  kept
          QB    ALA   64 - QD    PHE   95   7.51 +/- 1.30   5.368% *  2.9873% (0.53  1.00   0.29   0.02) =   0.189%
        T QB    ALA   47 - QD    PHE   95   9.33 +/- 0.91   2.355% *  2.9592% (0.76 10.00   0.02   0.02) =   0.082%
          HG2   LYS+ 112 - QD    PHE   95   9.60 +/- 1.67   2.293% *  0.1195% (0.31  1.00   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 2 structures by 0.36 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.703, support = 3.48, residual support = 9.32:
          HA    ILE  119 - HD2   HIS  122   3.14 +/- 0.86  85.881% * 48.5227% (0.73   3.32  10.21) =  85.412%  kept
          HA    THR  118 - HD2   HIS  122   4.87 +/- 0.38  14.073% * 50.5713% (0.57   4.43   4.11) =  14.588%  kept
          HD3   PRO   58 - HD2   HIS  122  12.76 +/- 1.93   0.023% *  0.1244% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.20 +/- 2.11   0.017% *  0.1121% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  19.07 +/- 1.75   0.003% *  0.2282% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  23.59 +/- 2.66   0.002% *  0.1807% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.21 +/- 2.05   0.001% *  0.2607% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 3.81, residual support = 71.8:
      O T HB2   HIS  122 - HD2   HIS  122   3.46 +/- 0.42  99.920% * 99.7225% (0.49  10.0 10.00   3.81  71.79) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.33 +/- 0.77   0.067% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.82 +/- 1.88   0.012% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.57 +/- 2.06   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.955, support = 3.83, residual support = 71.1:
      O T HB3   HIS  122 - HD2   HIS  122   3.34 +/- 0.57  82.359% * 85.4990% (0.97  10.0 10.00   3.80  71.79) =  96.512%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.40 +/- 1.32  17.637% * 14.4311% (0.69   1.0  1.00   4.74  50.75) =   3.488%  kept
          HG2   GLN   30 - HD2   HIS  122  19.89 +/- 2.55   0.003% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.65 +/- 1.99   0.001% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.579, support = 0.111, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   9.59 +/- 2.35   7.970% * 45.7689% (0.65   0.18   0.02) =  55.542%  kept
          HB3   ASP- 105 - HD2   HIS  122   7.06 +/- 3.94  70.841% *  2.6178% (0.34   0.02   0.02) =  28.239%  kept
          HB    ILE   56 - HD2   HIS  122  12.74 +/- 2.19   8.510% *  7.5224% (0.98   0.02   0.02) =   9.748%  kept
          HB3   PRO   58 - HD2   HIS  122  13.34 +/- 2.28   5.612% *  4.6548% (0.61   0.02   0.02) =   3.978%  kept
          HG3   PRO   68 - HD2   HIS  122  12.55 +/- 1.91   5.579% *  1.9136% (0.25   0.02   0.02) =   1.626%  kept
          HB2   MET   92 - HD2   HIS  122  18.71 +/- 1.68   0.213% *  6.1452% (0.80   0.02   0.02) =   0.199%
          HB    ILE  103 - HD2   HIS  122  14.58 +/- 4.10   0.599% *  2.1338% (0.28   0.02   0.02) =   0.195%
          HB3   LYS+  38 - HD2   HIS  122  19.05 +/- 3.74   0.122% *  7.6574% (1.00   0.02   0.02) =   0.143%
          HB3   GLN   30 - HD2   HIS  122  19.15 +/- 2.67   0.126% *  7.0844% (0.92   0.02   0.02) =   0.136%
          HG2   ARG+  54 - HD2   HIS  122  20.11 +/- 2.00   0.233% *  2.3687% (0.31   0.02   0.02) =   0.084%
          QB    LYS+  33 - HD2   HIS  122  19.29 +/- 2.93   0.126% *  3.4407% (0.45   0.02   0.02) =   0.066%
          HB3   GLN   90 - HD2   HIS  122  25.18 +/- 1.66   0.038% *  4.0377% (0.53   0.02   0.02) =   0.023%
          QB    LYS+  81 - HD2   HIS  122  25.54 +/- 1.80   0.030% *  4.6548% (0.61   0.02   0.02) =   0.022%
    Distance limit 4.84 A violated in 12 structures by 1.41 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 = 0.918, support = 5.78, residual support = 50.6:
          HB2   LYS+ 121 - HD2   HIS  122   3.68 +/- 0.84  96.550% * 68.8354% (0.92   5.80  50.75) =  98.710%  kept
          HB2   LEU  123 - HD2   HIS  122   7.03 +/- 0.61   2.911% * 29.8128% (0.53   4.41  38.06) =   1.289%  kept
          QD    LYS+  65 - HD2   HIS  122  12.83 +/- 2.02   0.202% *  0.2431% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  15.60 +/- 3.58   0.054% *  0.1964% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.90 +/- 2.17   0.049% *  0.1455% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.97 +/- 1.41   0.134% *  0.0397% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.72 +/- 2.93   0.015% *  0.2564% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.57 +/- 1.72   0.037% *  0.0965% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  16.04 +/- 1.34   0.026% *  0.0715% (0.28   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.67 +/- 1.75   0.019% *  0.0509% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  23.78 +/- 2.91   0.003% *  0.2519% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 4.89, residual support = 50.7:
          HB3   LYS+ 121 - HD2   HIS  122   4.39 +/- 1.32  51.927% * 70.9449% (1.00   4.72  50.75) =  75.149%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.49 +/- 1.56  43.936% * 27.7061% (0.34   5.39  50.75) =  24.832%  kept
          QD    LYS+  66 - HD2   HIS  122   8.63 +/- 2.66   3.496% *  0.2188% (0.73   0.02   0.02) =   0.016%
          HG    LEU  104 - HD2   HIS  122  10.76 +/- 4.17   0.425% *  0.3007% (1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HD2   HIS  122  13.73 +/- 1.64   0.050% *  0.2908% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.73 +/- 2.32   0.139% *  0.0838% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.96 +/- 1.50   0.019% *  0.2850% (0.95   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.83 +/- 1.97   0.005% *  0.0671% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  21.30 +/- 2.65   0.003% *  0.1028% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.427, support = 2.32, residual support = 7.9:
          QG2   ILE  119 - HD2   HIS  122   5.02 +/- 0.75  45.729% * 36.2475% (0.18  1.00   3.03  10.21) =  69.321%  kept
          QD2   LEU   40 - HD2   HIS  122   8.19 +/- 3.37  13.267% * 51.1482% (1.00  1.00   0.75   2.85) =  28.379%  kept
          QD1   LEU   67 - HD2   HIS  122   5.77 +/- 2.55  38.422% *  1.3609% (1.00  1.00   0.02   0.75) =   2.187%  kept
          QG2   ILE  103 - HD2   HIS  122  10.54 +/- 3.32   1.563% *  1.3163% (0.97  1.00   0.02   0.02) =   0.086%
          QD1   ILE  103 - HD2   HIS  122  12.56 +/- 3.46   0.789% *  0.4210% (0.31  1.00   0.02   0.02) =   0.014%
        T HB    VAL   75 - HD2   HIS  122  17.65 +/- 1.88   0.022% *  7.7221% (0.57 10.00   0.02   0.02) =   0.007%
          QD2   LEU   71 - HD2   HIS  122  12.80 +/- 1.96   0.177% *  0.5607% (0.41  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HD2   HIS  122  16.86 +/- 1.64   0.033% *  1.2232% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.55, residual support = 37.7:
          QD1   LEU  123 - HD2   HIS  122   5.29 +/- 1.09  61.509% * 51.6833% (0.49   4.64  38.06) =  90.828%  kept
          QD2   LEU  123 - HD2   HIS  122   7.35 +/- 0.76   6.520% * 44.3548% (0.49   3.98  38.06) =   8.262%  kept
          HB3   LEU  104 - HD2   HIS  122   9.39 +/- 4.27   8.181% *  3.5217% (0.84   0.18   0.02) =   0.823%  kept
          QG1   VAL   70 - HD2   HIS  122   7.00 +/- 2.15  23.266% *  0.1272% (0.28   0.02   0.02) =   0.085%
          QD1   LEU   71 - HD2   HIS  122  12.66 +/- 2.10   0.284% *  0.2226% (0.49   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD2   HIS  122  12.76 +/- 1.46   0.240% *  0.0905% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.93 A violated in 2 structures by 0.21 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.34, residual support = 4.11:
        T QG2   THR  118 - HD2   HIS  122   3.21 +/- 0.11 100.000% *100.0000% (0.69 10.00   1.34   4.11) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 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 = 0.927, support = 1.29, residual support = 19.9:
          HB3   LEU   73 - HE3   TRP   27   3.94 +/- 0.77  82.205% * 75.6703% (0.94   1.30  20.11) =  98.766%  kept
          HG3   LYS+  65 - HN    LEU   67   6.38 +/- 0.52   6.251% *  7.4726% (0.15   0.80   0.02) =   0.742%  kept
          HB2   LEU   80 - HE3   TRP   27   9.68 +/- 3.37   5.070% *  5.4003% (0.17   0.50   7.82) =   0.435%
          HB    VAL   42 - HE3   TRP   27   8.77 +/- 1.34   1.053% *  1.2033% (0.97   0.02   0.02) =   0.020%
          HG3   LYS+  33 - HE3   TRP   27   9.80 +/- 2.02   0.695% *  1.2249% (0.99   0.02   0.02) =   0.014%
          HB3   LYS+  74 - HE3   TRP   27   8.17 +/- 0.80   1.453% *  0.3789% (0.31   0.02   0.02) =   0.009%
          QB    LEU   98 - HE3   TRP   27   9.73 +/- 1.86   0.669% *  0.6950% (0.56   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    LEU   67   9.07 +/- 0.54   0.734% *  0.1872% (0.15   0.02   0.02) =   0.002%
          HG    LEU   98 - HE3   TRP   27  10.43 +/- 2.32   0.591% *  0.1661% (0.13   0.02   0.02) =   0.002%
          QB    ALA   84 - HE3   TRP   27  11.75 +/- 2.46   0.313% *  0.2429% (0.20   0.02   0.02) =   0.001%
          QB    ALA   12 - HE3   TRP   27  17.18 +/- 2.47   0.057% *  1.0254% (0.83   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HE3   TRP   27  15.63 +/- 1.73   0.029% *  0.9382% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  12.78 +/- 2.52   0.380% *  0.0531% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  17.49 +/- 1.27   0.013% *  1.2033% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.51 +/- 0.72   0.085% *  0.1807% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  18.19 +/- 1.74   0.012% *  1.1332% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  14.67 +/- 1.61   0.042% *  0.2733% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.06 +/- 1.14   0.067% *  0.1081% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.49 +/- 1.91   0.036% *  0.1596% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.20 +/- 1.86   0.035% *  0.1460% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.05 +/- 1.02   0.066% *  0.0590% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.20 +/- 2.03   0.002% *  1.0649% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.98 +/- 0.90   0.013% *  0.1906% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  17.80 +/- 1.27   0.013% *  0.1657% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.01 +/- 2.87   0.006% *  0.3413% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.75 +/- 2.36   0.010% *  0.1763% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.28 +/- 1.94   0.064% *  0.0259% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.30 +/- 1.75   0.028% *  0.0425% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  21.51 +/- 1.22   0.005% *  0.0378% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.97 +/- 2.21   0.004% *  0.0335% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    110
      with multiple volume contributions     :     94
      eliminated by violation filter         :     14
 
    Peaks:
      selected                               :    244
      without assignment                     :     28
      with assignment                        :    216
      with unique assignment                 :    135
      with multiple assignment               :     81
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    184
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       4.0