- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 43.1:
      O   HA    MET   11 - HN    MET   11   2.73 +/- 0.19  97.305% * 99.3074% (0.95  10.0   3.37  43.10) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.16 +/- 0.41   2.672% *  0.0762% (0.73   1.0   0.02  12.10) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.30 +/- 0.61   0.022% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  23.07 +/- 2.14   0.000% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  30.27 +/- 1.28   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  33.33 +/- 2.09   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  35.71 +/- 1.67   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  31.99 +/- 2.98   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  42.62 +/- 3.60   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  34.77 +/- 1.99   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  41.75 +/- 4.38   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.67 +/- 1.28   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 = 0.556, support = 2.84, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.70 +/- 0.21  40.001% * 68.6590% (0.71  10.0   2.38  12.39) =  59.602%  kept
      O   HA    MET   11 - HN    ALA   12   2.51 +/- 0.12  59.940% * 31.0568% (0.32  10.0   3.51  12.10) =  40.398%  kept
          HA    GLU-  14 - HN    ALA   12   8.01 +/- 0.50   0.058% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.86 +/- 1.11   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  31.44 +/- 1.56   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.96 +/- 1.66   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  38.91 +/- 4.39   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  32.68 +/- 1.66   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  39.78 +/- 3.71   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 = 0.136, support = 1.71, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.46 +/- 0.17  96.239% * 86.4211% (0.14  10.0   1.72   5.18) =  99.463%  kept
          HA    GLU-  14 - HN    SER   13   4.27 +/- 0.17   3.760% * 11.9507% (0.20   1.0   1.62   6.72) =   0.537%  kept
          HA    PHE   59 - HN    SER   13  24.08 +/- 0.81   0.000% *  0.3917% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  29.11 +/- 1.23   0.000% *  0.3917% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  37.32 +/- 4.35   0.000% *  0.7298% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  36.47 +/- 3.54   0.000% *  0.1149% (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 = 7.46:
      O   QB    SER   13 - HN    SER   13   2.97 +/- 0.23  99.990% * 99.5044% (0.87  10.0   2.06   7.46) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  16.55 +/- 1.84   0.005% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  16.49 +/- 1.81   0.005% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.59 +/- 1.14   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  34.13 +/- 2.71   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  32.44 +/- 2.67   0.000% *  0.0649% (0.57   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   2.40 +/- 0.02  99.851% * 99.5491% (0.81  10.0   5.47  50.07) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.35 +/- 0.20   0.123% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.18 +/- 0.68   0.006% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.32 +/- 1.16   0.004% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  11.32 +/- 0.69   0.010% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.07 +/- 0.81   0.004% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.33 +/- 1.43   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.15 +/- 0.76   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.39 +/- 0.94   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 77.5:
      O   HA    VAL   18 - HN    VAL   18   2.84 +/- 0.01  99.244% * 98.8751% (0.36  10.0   5.49  77.50) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.46 +/- 0.10   0.716% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.02 +/- 0.61   0.031% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.98 +/- 1.02   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.73 +/- 0.96   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.93 +/- 0.90   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.69 +/- 0.48   0.001% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.02 +/- 1.93   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 2.12, residual support = 6.72:
      O   HA    SER   13 - HN    GLU-  14   2.37 +/- 0.17  99.228% * 99.4257% (0.67  10.0   2.12   6.72) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.43 +/- 0.28   0.748% *  0.0994% (0.67   1.0   0.02   0.73) =   0.001%
          HA    GLN   17 - HN    GLU-  14  10.09 +/- 0.60   0.019% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  15.03 +/- 1.95   0.003% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.54 +/- 1.14   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.14 +/- 0.96   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.86 +/- 1.14   0.000% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  23.85 +/- 1.46   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.25 +/- 2.02   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.16 +/- 1.01   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 = 16.5:
          HN    GLN   17 - HN    GLY   16   2.43 +/- 0.12  99.989% * 86.2161% (0.13   3.44  16.52) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.53 +/- 0.65   0.006% *  3.6720% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  13.35 +/- 0.92   0.004% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  17.51 +/- 0.43   0.001% *  2.5449% (0.67   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.41 +/- 0.83   0.000% *  3.5754% (0.94   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  31.81 +/- 4.47   0.000% *  3.4200% (0.90   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 = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.43 +/- 0.12 100.000% * 99.8536% (1.00 10.00   3.44  16.52) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.57 +/- 0.94   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  25.91 +/- 1.61   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 = 0.475, support = 2.07, residual support = 6.04:
      O   HA    GLU-  15 - HN    GLY   16   2.50 +/- 0.16  98.266% * 98.9767% (0.47  10.0   2.07   6.04) =  99.996%  kept
          HA    GLN   17 - HN    GLY   16   4.98 +/- 0.08   1.673% *  0.2015% (0.97   1.0   0.02  16.52) =   0.003%
          HA    SER   13 - HN    GLY   16   9.22 +/- 0.37   0.045% *  0.0990% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  14.62 +/- 1.66   0.004% *  0.2015% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  13.64 +/- 0.72   0.004% *  0.1397% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  13.08 +/- 0.85   0.005% *  0.0628% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  14.69 +/- 0.73   0.003% *  0.0912% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.20 +/- 0.86   0.001% *  0.1962% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  21.64 +/- 0.74   0.000% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.819, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.66 +/- 0.13  70.901% * 12.6997% (0.90   0.02   0.02) =  83.126%  kept
          HA    VAL   70 - HN    GLY   16   8.04 +/- 1.09  28.220% *  6.1679% (0.44   0.02   0.02) =  16.069%  kept
          HA    LYS+  33 - HN    GLY   16  16.11 +/- 1.24   0.402% * 10.5138% (0.75   0.02   0.02) =   0.391%
          HA    GLU-  29 - HN    GLY   16  19.63 +/- 0.76   0.109% * 12.3380% (0.87   0.02   0.02) =   0.124%
          HA    GLN   32 - HN    GLY   16  19.39 +/- 1.05   0.120% *  9.4500% (0.67   0.02   0.02) =   0.105%
          HA    GLN  116 - HN    GLY   16  19.14 +/- 1.23   0.143% *  6.1679% (0.44   0.02   0.02) =   0.081%
          HA    SER   48 - HN    GLY   16  22.56 +/- 1.66   0.053% * 12.6997% (0.90   0.02   0.02) =   0.063%
          HD2   PRO   52 - HN    GLY   16  24.57 +/- 1.36   0.030% *  6.6964% (0.47   0.02   0.02) =   0.019%
          HB2   SER   82 - HN    GLY   16  28.62 +/- 2.30   0.013% * 13.2768% (0.94   0.02   0.02) =   0.016%
          HA    ALA   88 - HN    GLY   16  31.43 +/- 1.80   0.007% *  9.9899% (0.71   0.02   0.02) =   0.006%
    Distance limit 3.47 A violated in 20 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.09, residual support = 82.6:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.01  64.162% * 95.5833% (0.99  10.0   5.17  84.57) =  97.705%  kept
          HA    GLU-  15 - HN    GLN   17   3.20 +/- 0.12  35.766% *  4.0269% (0.49   1.0   1.72   0.02) =   2.295%  kept
          HA    SER   13 - HN    GLN   17   9.74 +/- 0.47   0.046% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  13.18 +/- 0.64   0.008% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.72 +/- 1.57   0.004% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.67 +/- 0.71   0.006% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.72 +/- 0.68   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.34 +/- 0.96   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  20.33 +/- 0.74   0.001% *  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  84.57) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  24.05 +/- 2.08   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  21.62 +/- 1.91   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  23.58 +/- 2.01   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  22.84 +/- 1.62   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.28 +/- 1.71   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.56 +/- 1.94   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.25 +/- 1.00   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  84.57) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.97 +/- 1.39   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.02 +/- 2.97   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  24.05 +/- 2.08   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.86 +/- 2.49   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 0.24, support = 3.28, residual support = 17.9:
      O   HA1   GLY   16 - HN    GLN   17   3.14 +/- 0.07  92.630% * 63.1645% (0.22  10.0   3.26  16.52) =  95.852%  kept
          HA    VAL   18 - HN    GLN   17   4.82 +/- 0.07   7.138% * 35.4644% (0.65   1.0   3.86  50.07) =   4.147%  kept
          HA    VAL   70 - HN    GLN   17   8.98 +/- 0.87   0.205% *  0.2831% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  13.50 +/- 1.02   0.017% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  16.39 +/- 1.11   0.005% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.00 +/- 1.05   0.002% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  18.94 +/- 0.63   0.002% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  20.39 +/- 1.62   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  26.58 +/- 2.17   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   3.75 +/- 0.45 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.65 A violated in 1 structures by 0.24 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.89, residual support = 22.6:
      O   HA    VAL   18 - HN    ILE   19   2.25 +/- 0.03  99.924% * 99.2246% (0.65  10.0   4.89  22.60) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   8.71 +/- 0.44   0.031% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.50 +/- 0.26   0.035% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  12.66 +/- 1.06   0.004% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.86 +/- 0.85   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  14.26 +/- 0.51   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.78 +/- 0.76   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.04 +/- 1.21   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  21.32 +/- 2.61   0.000% *  0.0868% (0.57   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 = 6.72, residual support = 174.2:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.02  99.969% * 99.7071% (0.87  10.0   6.72 174.22) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  12.00 +/- 0.34   0.020% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.60 +/- 0.29   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.21 +/- 1.19   0.004% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.07 +/- 0.89   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  22.80 +/- 2.22   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   2.19 +/- 0.01  99.988% * 99.7374% (0.97  10.0   5.05  25.51) = 100.000%  kept
          HA    THR   26 - HN    ALA   20  10.20 +/- 0.25   0.010% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.46 +/- 0.13   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  17.95 +/- 1.30   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  21.32 +/- 1.98   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.75 +/- 0.88   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   2.87 +/- 0.02  99.827% * 99.9455% (0.97  10.0   3.14  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   8.33 +/- 0.36   0.173% *  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 = 3.95, residual support = 9.41:
        T HN    LYS+  74 - HN    CYS   21   2.69 +/- 0.20  99.911% * 99.2410% (0.76 10.00   3.95   9.41) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   9.94 +/- 0.68   0.046% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.18 +/- 0.29   0.036% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.88 +/- 0.58   0.001% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.81 +/- 1.73   0.002% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.49 +/- 0.98   0.001% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.41 +/- 1.03   0.001% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  23.34 +/- 2.32   0.000% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.55 +/- 0.87   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  34.55 +/- 1.62   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.9:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.01  99.973% * 99.8901% (0.95  10.0   2.86  14.92) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21   9.04 +/- 0.54   0.025% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.86 +/- 0.88   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  17.51 +/- 0.63   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  21.17 +/- 0.53   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.26 +/- 0.87   0.001% *  0.0074% (0.07   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   2.80 +/- 0.02  99.991% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.58 +/- 0.76   0.008% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  20.83 +/- 0.69   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  27.20 +/- 1.74   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 = 6.61:
          HA    PHE   59 - HN    ASP-  62   3.71 +/- 0.26  97.987% * 92.4913% (0.52   1.50   6.61) =  99.972%  kept
          HA    ILE   56 - HN    ASP-  62   7.26 +/- 0.14   1.863% *  1.2332% (0.52   0.02   0.02) =   0.025%
          HA    LEU  123 - HN    ASP-  62  12.15 +/- 0.97   0.098% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.04 +/- 1.13   0.041% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  17.61 +/- 0.65   0.009% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  24.00 +/- 0.67   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  27.11 +/- 1.99   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.44, residual support = 21.2:
          HN    THR   23 - HN    HIS   22   3.72 +/- 0.04  99.378% * 97.3598% (0.69   3.44  21.18) =  99.995%  kept
          HE3   TRP   27 - HN    HIS   22   8.86 +/- 0.29   0.558% *  0.8218% (1.00   0.02   0.02) =   0.005%
          QE    PHE   95 - HN    HIS   22  15.40 +/- 1.01   0.021% *  0.5981% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  15.12 +/- 2.41   0.035% *  0.1442% (0.18   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  18.62 +/- 0.77   0.007% *  0.2542% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  23.26 +/- 0.67   0.002% *  0.8218% (1.00   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 = 4.76:
          HA    ALA   20 - HN    HIS   22   4.85 +/- 0.10  99.510% * 62.6587% (0.95   0.02   4.77) =  99.883%  kept
          HA    LEU   71 - HN    HIS   22  11.86 +/- 0.52   0.479% * 14.7469% (0.22   0.02   0.02) =   0.113%
          HA    LYS+ 102 - HN    HIS   22  22.31 +/- 1.08   0.011% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.86 A violated in 16 structures by 0.99 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.3, residual support = 11.9:
        T HN    THR   26 - HN    THR   23   4.54 +/- 0.05  97.142% * 99.8319% (0.69 10.00   3.30  11.87) =  99.999%  kept
          HN    LEU   80 - HN    THR   23   9.56 +/- 2.37   2.736% *  0.0496% (0.34  1.00   0.02   1.02) =   0.001%
          HN    ALA   34 - HN    THR   23  14.40 +/- 0.22   0.097% *  0.0362% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.10 +/- 1.11   0.026% *  0.0823% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.21 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 3.44, residual support = 21.2:
        T HN    HIS   22 - HN    THR   23   3.72 +/- 0.04  91.024% * 98.7469% (0.99 10.00   3.44  21.18) =  99.875%  kept
          HN    ASP-  76 - HN    THR   23   5.65 +/- 0.57   8.976% *  1.2531% (0.95  1.00   0.27   0.02) =   0.125%
    Distance limit 3.47 A violated in 0 structures by 0.24 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.79, residual support = 31.7:
        T HN    GLU-  25 - HN    VAL   24   2.75 +/- 0.06  98.928% * 99.8571% (0.98 10.00   7.79  31.68) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.95 +/- 0.17   0.972% *  0.0419% (0.41  1.00   0.02  12.57) =   0.000%
          HN    ASP-  44 - HN    VAL   24   9.17 +/- 1.10   0.100% *  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 = 7.79, residual support = 31.7:
        T HN    VAL   24 - HN    GLU-  25   2.75 +/- 0.06 100.000% *100.0000% (1.00 10.00   7.79  31.68) = 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 = 5.31, residual support = 29.6:
        T HN    THR   26 - HN    GLU-  25   2.94 +/- 0.04  99.996% * 99.9840% (0.97 10.00   5.31  29.63) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  16.33 +/- 0.99   0.004% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 5.29, residual support = 29.4:
        T HN    GLU-  25 - HN    THR   26   2.94 +/- 0.04  89.372% * 93.9862% (0.98 10.00   5.31  29.63) =  99.259%  kept
          HN    ASN   28 - HN    THR   26   4.21 +/- 0.15  10.601% *  5.9187% (0.41  1.00   3.00   0.02) =   0.741%  kept
          HN    ASP-  44 - HN    THR   26  11.47 +/- 0.65   0.027% *  0.0950% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.5, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.50 +/- 0.06  99.959% * 98.4704% (0.99   4.50  22.72) = 100.000%  kept
          HE3   TRP   87 - HN    THR   26  18.20 +/- 6.60   0.027% *  0.1657% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR   26  15.72 +/- 4.51   0.010% *  0.2678% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  18.30 +/- 1.95   0.001% *  0.3374% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.26 +/- 0.51   0.001% *  0.2856% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.78 +/- 0.37   0.002% *  0.1101% (0.25   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.14 +/- 0.66   0.000% *  0.3033% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.07 +/- 1.63   0.001% *  0.0597% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.912, support = 3.22, residual support = 12.1:
          HN    THR   23 - HN    THR   26   4.54 +/- 0.05  71.070% * 58.7240% (0.97   3.30  11.87) =  89.261%  kept
          HE3   TRP   27 - HN    THR   26   6.30 +/- 0.33  10.342% * 29.3808% (0.49   3.28  22.72) =   6.499%  kept
          HD2   HIS   22 - HN    THR   26   5.77 +/- 0.52  18.485% * 10.7243% (0.45   1.30   0.12) =   4.240%  kept
          QE    PHE   95 - HN    THR   26  16.09 +/- 0.98   0.038% *  0.3486% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.00 +/- 0.84   0.007% *  0.3402% (0.92   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.75 +/- 1.17   0.047% *  0.0499% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.13 +/- 1.48   0.008% *  0.2235% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  24.43 +/- 0.76   0.003% *  0.2086% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.947, support = 4.98, residual support = 91.6:
          HE3   TRP   27 - HN    TRP   27   4.46 +/- 0.16  67.123% * 70.5586% (1.00   5.34 109.27) =  83.729%  kept
          HN    THR   23 - HN    TRP   27   5.06 +/- 0.13  32.035% * 28.7287% (0.69   3.16   0.51) =  16.270%  kept
          QE    PHE   95 - HN    TRP   27  14.66 +/- 0.86   0.056% *  0.1925% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  11.47 +/- 1.12   0.275% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    TRP   27  15.64 +/- 4.11   0.104% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.22 +/- 1.78   0.095% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.25 +/- 2.46   0.068% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  15.57 +/- 1.83   0.051% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.17 +/- 0.85   0.177% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.12 +/- 0.80   0.011% *  0.0818% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.36 +/- 0.75   0.003% *  0.2645% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  24.72 +/- 0.73   0.002% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.14 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.5, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.50 +/- 0.06  99.993% * 99.8587% (0.97 10.00   4.50  22.72) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  18.30 +/- 1.95   0.001% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  12.80 +/- 0.80   0.006% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.64 +/- 1.35   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 = 32.9:
        T HN    GLN   90 - HN    ALA   91   2.33 +/- 0.42  99.970% * 91.0962% (0.12 10.00   6.75  32.85) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  18.52 +/- 2.28   0.001% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  15.59 +/- 4.04   0.005% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  11.00 +/- 1.00   0.014% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.02 +/- 1.25   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.46 +/- 0.92   0.009% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.22 +/- 0.97   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  23.85 +/- 1.53   0.000% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.31, residual support = 52.8:
        T HN    ASN   28 - HN    TRP   27   2.62 +/- 0.09  91.150% * 99.7328% (0.99 10.00   5.31  52.82) =  99.996%  kept
          HN    GLU-  25 - HN    TRP   27   3.87 +/- 0.05   8.806% *  0.0378% (0.38  1.00   0.02   0.02) =   0.004%
          HN    ASP-  44 - HN    TRP   27   9.74 +/- 0.44   0.036% *  0.0414% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.16 +/- 2.02   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.12 +/- 0.87   0.001% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.59 +/- 1.36   0.006% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  16.38 +/- 2.08   0.002% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  28.37 +/- 1.18   0.000% *  0.0061% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.37, residual support = 109.3:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.468% * 99.6433% (0.76  10.0   2.37 109.27) =  99.999%  kept
          HE21  GLN   30 - HE1   TRP   27   7.01 +/- 1.37   0.529% *  0.1292% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE1   TRP   27  15.49 +/- 1.16   0.003% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  23.13 +/- 2.81   0.000% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 1.84, residual support = 109.3:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.989% * 99.8819% (0.45  10.0   1.84 109.27) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  13.25 +/- 0.77   0.011% *  0.1181% (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 = 0.965, support = 5.04, residual support = 31.5:
          HN    GLU-  29 - HN    ASN   28   2.90 +/- 0.05  83.641% * 67.7434% (0.98   5.23  33.63) =  91.571%  kept
          HN    GLN   30 - HN    ASN   28   3.82 +/- 0.06  16.351% * 31.8966% (0.80   3.01   8.89) =   8.429%  kept
          HN    ASP-  86 - HN    ASN   28  17.71 +/- 3.76   0.003% *  0.2295% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.34 +/- 0.35   0.003% *  0.0358% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.75 +/- 1.80   0.001% *  0.0589% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.00 +/- 2.68   0.001% *  0.0358% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.31, residual support = 52.8:
          HN    TRP   27 - HN    ASN   28   2.62 +/- 0.09  99.968% * 98.7006% (0.99   5.31  52.82) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  16.49 +/- 4.25   0.007% *  0.2275% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  18.55 +/- 6.42   0.010% *  0.1408% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.47 +/- 0.63   0.004% *  0.2426% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.81 +/- 0.26   0.008% *  0.0935% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.16 +/- 2.02   0.001% *  0.2866% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  15.39 +/- 1.54   0.003% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.40 +/- 0.53   0.000% *  0.2576% (0.69   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 = 0.413, support = 5.34, residual support = 52.6:
          HD1   TRP   27 - HN    ASN   28   4.16 +/- 0.38  97.124% * 84.4487% (0.41   5.37  52.82) =  99.497%  kept
          HE21  GLN   30 - HN    ASN   28   8.06 +/- 0.74   2.856% * 14.5297% (0.76   0.50   8.89) =   0.503%  kept
          QD    PHE   59 - HN    ASN   28  18.56 +/- 1.11   0.014% *  0.3148% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  22.92 +/- 3.16   0.006% *  0.7068% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.19 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.72, residual support = 105.3:
          HD22  ASN   28 - HN    ASN   28   3.02 +/- 0.27  99.991% * 99.9337% (0.92   5.72 105.25) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  14.47 +/- 0.41   0.009% *  0.0663% (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 = 105.3:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.94 105.25) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  14.53 +/- 0.31   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 2.77:
          HA    GLU-  25 - HD21  ASN   28   4.63 +/- 0.11  99.730% * 96.5836% (1.00   1.27   2.77) =  99.997%  kept
          HA    ILE   19 - HD21  ASN   28  13.63 +/- 0.42   0.158% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    SER   82 - HD21  ASN   28  18.20 +/- 5.18   0.100% *  0.8642% (0.57   0.02   0.02) =   0.001%
          HA    CYS   53 - HD21  ASN   28  21.41 +/- 1.28   0.011% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.32 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.96, residual support = 104.1:
      O   HA    ASN   28 - HN    ASN   28   2.70 +/- 0.02  93.696% * 85.7600% (0.84  10.0   5.98 105.25) =  98.934%  kept
          HA    THR   26 - HN    ASN   28   4.25 +/- 0.19   6.278% * 13.7977% (0.65   1.0   4.15   0.02) =   1.066%  kept
          HA    ALA   34 - HN    ASN   28  11.59 +/- 0.36   0.015% *  0.0991% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  13.08 +/- 2.00   0.011% *  0.1024% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  22.68 +/- 0.79   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.34 +/- 1.18   0.000% *  0.0971% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.11 +/- 0.98   0.000% *  0.0317% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.47 +/- 1.94   0.000% *  0.0229% (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 = 0.898, support = 5.25, residual support = 102.0:
      O   HA    TRP   27 - HN    TRP   27   2.80 +/- 0.02  55.062% * 90.4766% (0.97  10.0   5.42 109.27) =  92.284%  kept
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  44.905% *  9.2758% (0.10  10.0   3.12  14.53) =   7.716%  kept
          HA    PRO   52 - HN    ALA   91  11.51 +/- 2.04   0.023% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.06 +/- 1.43   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  20.48 +/- 0.63   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.34 +/- 2.26   0.006% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  16.04 +/- 0.72   0.002% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.13 +/- 1.26   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.32 +/- 1.90   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.33 +/- 1.27   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 = 4.5, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   3.17 +/- 0.09  99.961% * 99.0147% (0.99   4.50  22.72) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  17.12 +/- 3.88   0.008% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.55 +/- 0.63   0.001% *  0.4284% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.81 +/- 0.78   0.026% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  18.82 +/- 1.84   0.003% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  26.95 +/- 0.88   0.000% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.35 +/- 0.69   0.001% *  0.0529% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  23.63 +/- 1.59   0.001% *  0.0398% (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  22.76 +/- 1.01 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.34 A violated in 20 structures by 18.42 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.202, support = 4.29, residual support = 35.2:
      O   HB    THR   26 - HN    THR   26   2.08 +/- 0.06  96.533% * 21.3631% (0.15  10.0   4.16  35.99) =  88.371%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   3.462% * 78.3875% (0.57  10.0   5.27  29.63) =  11.629%  kept
          HA    ILE   19 - HN    THR   26  11.25 +/- 0.19   0.004% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    THR   26  16.09 +/- 3.43   0.001% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  23.15 +/- 0.74   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  20.96 +/- 0.96   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 = 0.79, support = 3.09, residual support = 6.19:
          HA    THR   23 - HN    GLU-  25   4.28 +/- 0.13  37.240% * 69.0115% (0.98   3.35   6.19) =  58.023%  kept
          HB    THR   23 - HN    GLU-  25   3.93 +/- 0.40  61.585% * 30.1848% (0.53   2.73   6.19) =  41.969%  kept
          HA    LEU   80 - HN    GLU-  25  11.19 +/- 4.87   1.136% *  0.2889% (0.69   0.02   0.02) =   0.007%
          HA    ASP-  78 - HN    GLU-  25  14.42 +/- 1.97   0.037% *  0.3978% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  22.06 +/- 1.32   0.002% *  0.1169% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.16 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.78, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.70 +/- 0.01  99.977% * 99.7793% (0.87  10.0   5.78 127.36) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  14.08 +/- 4.02   0.015% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.30 +/- 0.23   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  20.21 +/- 0.87   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.714, support = 5.23, residual support = 24.4:
      O   HA    THR   23 - HN    VAL   24   2.56 +/- 0.07  75.275% * 92.3758% (0.73  10.0   5.22  24.38) =  97.489%  kept
          HB    THR   23 - HN    VAL   24   3.35 +/- 0.65  24.083% *  7.4358% (0.22   1.0   5.25  24.38) =   2.511%  kept
          HA    LEU   80 - HN    VAL   24   9.86 +/- 5.12   0.583% *  0.0434% (0.34   1.0   0.02   4.58) =   0.000%
          HA    ASP-  78 - HN    VAL   24  12.47 +/- 2.16   0.010% *  0.1228% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24   8.82 +/- 0.71   0.049% *  0.0223% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 3.12, residual support = 18.8:
      O   HA    THR   23 - HN    THR   23   2.24 +/- 0.02  92.691% * 37.7551% (0.61  10.0   3.04  18.76) =  88.573%  kept
      O   HB    THR   23 - HN    THR   23   3.53 +/- 0.36   7.269% * 62.1094% (1.00  10.0   3.81  18.76) =  11.427%  kept
          HA    LEU   80 - HN    THR   23  10.53 +/- 3.21   0.036% *  0.0589% (0.95   1.0   0.02   1.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  12.43 +/- 1.14   0.004% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.15 +/- 1.06   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 = 0.727, support = 0.02, residual support = 0.387:
          HA    ALA   20 - HN    THR   23   5.27 +/- 0.14  99.496% * 46.5057% (0.73   0.02   0.39) =  99.420%  kept
          HA    LEU   71 - HN    THR   23  12.84 +/- 0.79   0.504% * 53.4943% (0.84   0.02   0.02) =   0.580%  kept
    Distance limit 3.90 A violated in 20 structures by 1.37 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.44, residual support = 11.9:
          HB    THR   26 - HN    THR   23   3.83 +/- 0.08  99.951% * 98.4798% (0.99   2.44  11.87) = 100.000%  kept
          HA    SER   82 - HN    THR   23  14.91 +/- 2.61   0.044% *  0.1426% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.04 +/- 0.80   0.005% *  0.7861% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  27.02 +/- 1.07   0.001% *  0.5915% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.20 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 105.3:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.983% * 99.7763% (0.98  10.0   2.94 105.25) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28  14.42 +/- 5.63   0.017% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.86 +/- 0.91   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.87 +/- 0.53   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.09 +/- 0.91   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 = 5.23, residual support = 33.6:
        T HN    ASN   28 - HN    GLU-  29   2.90 +/- 0.05  99.212% * 99.7796% (0.76 10.00   5.23  33.63) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.56 +/- 0.32   0.776% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  13.24 +/- 0.45   0.011% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  19.96 +/- 0.96   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 48.7:
        T HN    LEU   31 - HN    GLN   30   2.46 +/- 0.05  99.993% * 98.4622% (0.73 10.00   6.95  48.69) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  26.50 +/- 0.87   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.85 +/- 1.09   0.006% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.58 +/- 0.60   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  23.26 +/- 3.80   0.000% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.63 +/- 0.96   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.41 +/- 0.66   0.001% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.62 +/- 0.48   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  27.86 +/- 2.63   0.000% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.20 +/- 0.50   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 = 45.3:
        T HN    LEU   31 - HN    GLN   32   2.73 +/- 0.12  99.912% * 99.0995% (0.98 10.00   5.86  45.35) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.87 +/- 0.26   0.087% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  29.47 +/- 1.11   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.83 +/- 0.63   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  28.83 +/- 1.19   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  26.20 +/- 3.95   0.000% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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  44.17) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.34 +/- 2.22   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.88 +/- 1.24   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  34.29 +/- 2.70   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  34.96 +/- 1.30   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 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  99.992% * 98.9152% (0.83  10.0 10.00   1.00  44.17) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   9.77 +/- 1.74   0.007% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.70 +/- 1.35   0.001% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.85 +/- 1.63   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.34 +/- 2.22   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.07 +/- 1.94   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  27.21 +/- 3.62   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  34.29 +/- 2.70   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  19.79 +/- 2.16   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.89 +/- 0.65   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.33 +/- 1.87   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.20 +/- 1.22   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.83 +/- 2.65   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.40 +/- 2.24   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  33.33 +/- 1.12   0.000% *  0.0860% (0.73   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 = 52.2:
          HN    GLU-  36 - HN    ASN   35   2.36 +/- 0.07  99.401% * 98.7867% (0.90   5.88  52.21) =  99.998%  kept
          HN    THR   39 - HN    ASN   35   5.79 +/- 0.32   0.575% *  0.3617% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    ASN   35  10.30 +/- 1.30   0.018% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.38 +/- 0.25   0.005% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  25.85 +/- 4.08   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  27.75 +/- 2.10   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 = 55.6:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.59) = 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 = 55.6:
      O   HA    ASN   35 - HN    ASN   35   2.83 +/- 0.02  99.811% * 99.5029% (0.98  10.0   4.55  55.59) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.74 +/- 0.94   0.075% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.97 +/- 0.59   0.108% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  16.38 +/- 1.13   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.50 +/- 2.64   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  18.78 +/- 2.12   0.001% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.00 +/- 0.97   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  26.46 +/- 0.74   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.70 +/- 0.93   0.000% *  0.0575% (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 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.42, residual support = 153.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  94.167% * 99.6989% (0.90  10.0   2.42 153.23) =  99.993%  kept
          HD1   TRP   27 - HE22  GLN   30   3.73 +/- 1.44   5.833% *  0.1102% (0.99   1.0   0.02   0.02) =   0.007%
          QD    PHE   59 - HE22  GLN   30  15.59 +/- 1.16   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  23.93 +/- 2.74   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 = 153.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.42 153.23) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  12.61 +/- 1.50   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.13 +/- 0.85   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 = 0.2, support = 0.0199, residual support = 0.0199:
          HA    VAL   42 - HN    GLN   30  11.85 +/- 0.53   6.479% *  6.4793% (0.25   0.02   0.02) =  45.811%  kept
          HA    VAL   42 - HN    LYS+  99   7.61 +/- 0.37  89.837% *  0.4257% (0.02   0.02   0.02) =  41.734%  kept
          HA    GLN   90 - HN    GLN   30  22.74 +/- 1.60   0.147% * 25.0767% (0.97   0.02   0.02) =   4.015%  kept
          HA    ALA  110 - HN    GLN   30  24.62 +/- 1.72   0.086% * 25.9267% (1.00   0.02   0.02) =   2.436%  kept
          HA    VAL  107 - HN    LYS+  99  13.88 +/- 0.34   2.537% *  0.5823% (0.02   0.02   0.02) =   1.612%  kept
          HA    VAL  107 - HN    GLN   30  21.92 +/- 0.59   0.162% *  8.8635% (0.34   0.02   0.02) =   1.571%  kept
          HA    ALA   91 - HN    GLN   30  22.02 +/- 1.35   0.167% *  5.7850% (0.22   0.02   0.02) =   1.057%  kept
          HA    PHE   55 - HN    GLN   30  27.80 +/- 0.77   0.039% * 21.7040% (0.84   0.02   0.02) =   0.931%  kept
          HA    ALA  110 - HN    LYS+  99  19.85 +/- 1.08   0.308% *  1.7034% (0.07   0.02   0.02) =   0.572%  kept
          HA    PHE   55 - HN    LYS+  99  25.01 +/- 0.54   0.074% *  1.4259% (0.05   0.02   0.02) =   0.115%
          HA    GLN   90 - HN    LYS+  99  26.25 +/- 1.02   0.058% *  1.6475% (0.06   0.02   0.02) =   0.104%
          HA    ALA   91 - HN    LYS+  99  23.56 +/- 0.43   0.105% *  0.3801% (0.01   0.02   0.02) =   0.044%
    Distance limit 4.23 A violated in 20 structures by 3.25 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.822, support = 4.66, residual support = 39.9:
          HN    ALA   34 - HN    LYS+  33   2.42 +/- 0.07  67.779% * 79.3140% (0.90   4.59  43.31) =  89.328%  kept
          HN    GLN   32 - HN    LYS+  33   2.74 +/- 0.04  32.221% * 19.9320% (0.20   5.23  11.03) =  10.672%  kept
          HN    LEU   80 - HN    LYS+  33  22.56 +/- 3.13   0.000% *  0.3720% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  28.13 +/- 1.47   0.000% *  0.3820% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 55.6:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.59) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  19.45 +/- 1.53   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.20 +/- 1.15   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.84 +/- 1.36   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.43 +/- 1.84   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  34.03 +/- 2.09   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 52.2:
        T HN    ASN   35 - HN    GLU-  36   2.36 +/- 0.07  99.995% * 99.7986% (0.99 10.00   5.88  52.21) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.81 +/- 0.85   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  20.40 +/- 2.59   0.000% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.293, support = 3.85, residual support = 17.5:
          HN    GLU-  36 - HN    SER   37   2.29 +/- 0.04  93.819% * 33.7662% (0.25   3.97  19.39) =  88.943%  kept
          HN    THR   39 - HN    SER   37   3.71 +/- 0.40   6.172% * 63.8073% (0.65   2.89   2.30) =  11.057%  kept
          HN    TRP   27 - HN    SER   37  14.76 +/- 0.23   0.001% *  0.6757% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  11.26 +/- 0.91   0.007% *  0.0923% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.16 +/- 0.82   0.000% *  0.4683% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  28.42 +/- 3.97   0.000% *  0.4135% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  29.84 +/- 1.89   0.000% *  0.5210% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  30.61 +/- 6.02   0.000% *  0.2558% (0.38   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 = 0.932, support = 5.17, residual support = 26.8:
          HN    THR   39 - HN    LYS+  38   2.74 +/- 0.27  83.194% * 83.1463% (0.95   5.31  27.84) =  96.297%  kept
          HN    GLU-  36 - HN    LYS+  38   3.64 +/- 0.12  16.754% * 15.8763% (0.57   1.69   0.63) =   3.703%  kept
          HN    LYS+ 102 - HN    LYS+  38   9.71 +/- 0.87   0.049% *  0.1243% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.48 +/- 0.28   0.003% *  0.2532% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.80 +/- 0.77   0.000% *  0.1130% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  28.46 +/- 3.83   0.000% *  0.3058% (0.92   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.69 +/- 1.87   0.000% *  0.1362% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  30.63 +/- 5.83   0.000% *  0.0448% (0.14   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 = 4.67, residual support = 51.3:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.02  86.024% * 83.8210% (0.38  10.0   4.70  52.21) =  97.260%  kept
          HA    SER   37 - HN    GLU-  36   4.85 +/- 0.02  13.659% * 14.8687% (0.38   1.0   3.55  19.39) =   2.739%  kept
          HA    LEU   40 - HN    GLU-  36  10.08 +/- 0.46   0.177% *  0.2233% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.99 +/- 0.79   0.114% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  16.24 +/- 1.37   0.012% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  17.96 +/- 2.28   0.008% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  19.69 +/- 1.01   0.003% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.13 +/- 2.72   0.002% *  0.1175% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.58 +/- 0.82   0.000% *  0.2155% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.73 +/- 0.94   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.52 +/- 0.94   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 86.9:
      O   HA    GLU-  36 - HN    GLU-  36   2.88 +/- 0.00  99.999% * 99.7892% (0.69  10.0   6.06  86.87) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.47 +/- 1.16   0.001% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  30.37 +/- 3.39   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  25.98 +/- 2.83   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.36, residual support = 27.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.00  99.824% * 99.4774% (0.97  10.0   4.36  27.70) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.63 +/- 0.35   0.152% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  14.80 +/- 1.36   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.57 +/- 0.44   0.010% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  16.86 +/- 2.03   0.004% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  18.42 +/- 1.05   0.002% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.32 +/- 0.81   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.26 +/- 0.92   0.000% *  0.0708% (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 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.4:
      O   HA    GLU-  36 - HN    SER   37   3.42 +/- 0.04  99.997% * 99.6452% (0.34  10.0   4.29  19.39) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.61 +/- 1.23   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  30.83 +/- 3.04   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 = 4.8, residual support = 18.0:
      O   HA    SER   37 - HN    LYS+  38   3.49 +/- 0.01  98.755% * 99.2058% (0.73  10.0   4.80  18.05) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.37 +/- 0.33   1.169% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  15.27 +/- 1.31   0.017% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.86 +/- 0.39   0.041% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  17.86 +/- 1.86   0.007% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.64 +/- 0.97   0.005% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  19.99 +/- 2.71   0.005% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.82 +/- 0.89   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.17 +/- 0.69   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.81 +/- 0.95   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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   4.26 +/- 0.11  99.979% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.03 +/- 1.11   0.013% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  22.63 +/- 2.88   0.007% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  31.19 +/- 3.00   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  29.84 +/- 0.94   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 3.76, residual support = 39.8:
      O   HA    THR   39 - HN    THR   39   2.80 +/- 0.14  99.983% * 99.4345% (1.00  10.0   3.76  39.77) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.54 +/- 0.53   0.013% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.27 +/- 0.40   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  21.17 +/- 2.23   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.39 +/- 0.59   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  26.77 +/- 1.03   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  26.74 +/- 0.89   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.41 +/- 1.04   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  32.48 +/- 3.12   0.000% *  0.0603% (0.61   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 = 24.1:
      O   HA    THR   39 - HN    LEU   40   2.74 +/- 0.25  99.959% * 99.4345% (1.00  10.0   4.03  24.11) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.74 +/- 0.49   0.033% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.31 +/- 0.33   0.006% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.67 +/- 0.52   0.001% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.71 +/- 1.81   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.32 +/- 0.73   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.52 +/- 0.84   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.02 +/- 0.85   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  31.08 +/- 2.69   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 101.4:
      O   HA    LEU   40 - HN    LEU   40   2.90 +/- 0.03  95.602% * 99.4414% (1.00  10.0   5.09 101.43) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.05 +/- 0.45   3.938% *  0.0248% (0.25   1.0   0.02  12.77) =   0.001%
          HA    SER   37 - HN    LEU   40   8.05 +/- 0.56   0.250% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.96 +/- 0.70   0.136% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.44 +/- 0.97   0.030% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.78 +/- 2.63   0.028% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.55 +/- 0.62   0.010% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.25 +/- 1.32   0.004% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.42 +/- 0.58   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.54 +/- 0.31   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.68 +/- 0.68   0.001% *  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 = 73.6:
      O   HA    VAL   41 - HN    VAL   41   2.94 +/- 0.00  99.989% * 99.4222% (0.22  10.0   4.51  73.64) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.82 +/- 0.20   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  15.74 +/- 1.19   0.005% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  24.44 +/- 0.71   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 5.09, residual support = 20.1:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.02  89.595% * 99.4414% (1.00  10.0   5.09  20.11) =  99.997%  kept
          HA    LYS+  99 - HN    VAL   41   3.30 +/- 0.37  10.364% *  0.0248% (0.25   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    VAL   41   8.79 +/- 0.69   0.027% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.74 +/- 0.42   0.008% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  14.22 +/- 0.86   0.001% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  14.81 +/- 2.32   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.87 +/- 0.63   0.001% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.06 +/- 0.46   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.42 +/- 1.25   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.04 +/- 0.27   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.08 +/- 0.62   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.31, residual support = 23.2:
        T HN    LEU   98 - HN    VAL   41   3.33 +/- 0.24 100.000% *100.0000% (0.97 10.00   5.31  23.17) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.26, residual support = 4.62:
          HA    PHE   72 - HN    VAL   42   2.80 +/- 0.30 100.000% *100.0000% (0.22   1.26   4.62) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.16, residual support = 23.5:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.01  99.990% * 99.4222% (0.22  10.0   5.16  23.52) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.08 +/- 0.13   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  12.37 +/- 1.17   0.004% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.66 +/- 0.50   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 = 5.46, residual support = 88.4:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.00  99.943% * 99.6568% (0.87  10.0   5.46  88.36) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.56 +/- 0.64   0.029% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.81 +/- 0.80   0.016% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.30 +/- 0.27   0.007% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.12 +/- 1.91   0.003% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.27 +/- 0.58   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  21.12 +/- 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 = 4.99, residual support = 39.5:
      O   HA    VAL   42 - HN    VAL   43   2.23 +/- 0.04  99.989% * 99.7026% (1.00  10.0   4.99  39.49) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.47 +/- 0.25   0.006% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.75 +/- 0.59   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  13.69 +/- 1.69   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.72 +/- 0.75   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.05 +/- 0.57   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  17.72 +/- 1.11   0.000% *  0.0341% (0.34   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 = 2.75, residual support = 6.0:
          HA    LYS+  74 - HN    ASP-  44   3.67 +/- 0.31  99.113% * 96.0001% (0.28   2.75   6.00) =  99.994%  kept
          HA    VAL   41 - HN    ASP-  44   8.35 +/- 0.21   0.788% *  0.4974% (0.20   0.02   0.02) =   0.004%
          HA    MET   92 - HN    ASP-  44  12.32 +/- 0.34   0.079% *  2.1801% (0.87   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    ASP-  44  15.87 +/- 1.43   0.021% *  1.3223% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.12 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 +/- 0.03  99.978% * 99.8182% (0.87  10.0   3.71  15.32) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.56 +/- 0.34   0.015% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.24 +/- 0.83   0.006% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.27 +/- 0.49   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 = 3.76, residual support = 38.1:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.950% * 98.9185% (0.49  10.0   3.76  38.09) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.82 +/- 0.82   0.025% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.75 +/- 0.38   0.015% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  15.55 +/- 0.30   0.004% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  19.05 +/- 2.60   0.002% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  18.10 +/- 0.77   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  19.35 +/- 2.31   0.002% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.64 +/- 1.30   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.64 +/- 1.55   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.98 +/- 0.29  99.957% * 99.8815% (0.84 10.00   3.30  27.19) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  11.42 +/- 0.94   0.043% *  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 = 5.72, residual support = 81.0:
          QD    PHE   45 - HN    PHE   45   2.21 +/- 0.52  99.994% * 98.5667% (0.53   5.72  80.97) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.54 +/- 0.81   0.004% *  0.6319% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.71 +/- 1.73   0.001% *  0.6194% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.31 +/- 2.16   0.001% *  0.1820% (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   4.05 +/- 0.37 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 81.0:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.960% * 99.9134% (0.99  10.0   4.01  80.97) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.16 +/- 0.36   0.020% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.69 +/- 0.82   0.017% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.25 +/- 1.10   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 20.3:
      O   HA    ASP-  44 - HN    PHE   45   2.31 +/- 0.02  99.922% * 99.3093% (1.00  10.0   4.04  20.26) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   9.07 +/- 0.99   0.037% *  0.0984% (0.99   1.0   0.02   8.71) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.16 +/- 0.95   0.032% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  14.19 +/- 0.36   0.002% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.53 +/- 0.96   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.89 +/- 1.04   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  17.03 +/- 2.19   0.001% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  17.31 +/- 2.71   0.001% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.92 +/- 0.54   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.62 +/- 0.75   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  30.41 +/- 1.33   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.29 +/- 1.13   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   4.58 +/- 0.21  99.713% * 94.4314% (0.22   4.41  12.48) =  99.997%  kept
          HE22  GLN   17 - HN    THR   46  16.52 +/- 2.61   0.104% *  1.1669% (0.61   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.21 +/- 0.95   0.040% *  1.8199% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  14.46 +/- 1.21   0.121% *  0.2968% (0.15   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.30 +/- 2.12   0.018% *  1.8567% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  25.19 +/- 1.41   0.004% *  0.4283% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.15 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   4.05 +/- 1.11  99.971% * 98.8088% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  18.73 +/- 1.00   0.029% *  1.1912% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 4 structures by 0.46 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   2.23 +/- 0.03  99.947% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   9.04 +/- 0.54   0.024% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46   8.96 +/- 0.74   0.028% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.84 +/- 0.26   0.001% *  0.0291% (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 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   2.93 +/- 0.01  99.802% * 99.4016% (0.57  10.0   3.25  34.50) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.46 +/- 1.24   0.125% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.21 +/- 0.23   0.019% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  11.92 +/- 2.42   0.034% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.43 +/- 0.65   0.011% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  14.42 +/- 0.73   0.007% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.85 +/- 0.91   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 = 3.62, residual support = 12.0:
          HN    THR   77 - HN    THR   46   4.12 +/- 0.65 100.000% *100.0000% (1.00   3.62  11.98) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.11 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.34, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  69.632% * 96.8065% (0.90  10.0   2.36  10.99) =  98.710%  kept
          HA    CYS   50 - HN    ALA   47   4.12 +/- 1.47  29.969% *  2.9393% (0.73   1.0   0.75   6.95) =   1.290%  kept
          HA    TRP   49 - HN    ALA   47   7.06 +/- 0.24   0.345% *  0.0568% (0.53   1.0   0.02  14.63) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.42 +/- 1.36   0.027% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  12.33 +/- 2.05   0.025% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  16.71 +/- 0.78   0.002% *  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 = 12.6:
      O   HA    THR   46 - HN    ALA   47   2.36 +/- 0.05  99.851% * 99.4016% (0.57  10.0   3.07  12.63) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.26 +/- 1.36   0.109% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.61 +/- 0.62   0.013% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  10.53 +/- 2.67   0.025% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.61 +/- 0.27   0.001% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  16.64 +/- 1.15   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.83 +/- 1.01   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 = 0.834, support = 4.28, residual support = 14.6:
        T HN    TRP   49 - HN    SER   48   2.53 +/- 0.08  90.960% * 93.6876% (0.84 10.00   4.30  14.74) =  99.343%  kept
          HN    CYS   50 - HN    SER   48   3.81 +/- 0.31   9.031% *  6.2441% (0.61  1.00   1.84   0.02) =   0.657%  kept
          HN    VAL   83 - HN    SER   48  12.19 +/- 1.39   0.009% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.09 +/- 0.93   0.000% *  0.0461% (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 = 2.07, residual support = 6.15:
      O   HA    ALA   47 - HN    SER   48   2.33 +/- 0.08  98.539% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.12 +/- 0.08   0.886% *  0.0585% (0.53   1.0   0.02  14.74) =   0.001%
          HA    CYS   50 - HN    SER   48   5.81 +/- 0.69   0.571% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.76 +/- 1.28   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.30 +/- 2.00   0.002% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.56 +/- 1.09   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 = 4.94, residual support = 87.2:
          HD1   TRP   49 - HN    TRP   49   2.99 +/- 0.65  99.890% * 98.3018% (0.92   4.94  87.20) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.01 +/- 1.39   0.054% *  0.2790% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.37 +/- 0.61   0.041% *  0.1075% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.12 +/- 0.89   0.008% *  0.2963% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  21.03 +/- 1.60   0.002% *  0.3454% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.19 +/- 1.59   0.004% *  0.0854% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.62 +/- 1.04   0.001% *  0.4228% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  32.21 +/- 1.64   0.000% *  0.1619% (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 = 4.3, residual support = 14.7:
        T HN    SER   48 - HN    TRP   49   2.53 +/- 0.08 100.000% *100.0000% (0.84 10.00   4.30  14.74) = 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 = 0.953, support = 1.9, residual support = 6.14:
      O   HA    CYS   50 - HN    CYS   50   2.54 +/- 0.34  74.437% * 48.5173% (0.98  10.0   1.67   7.30) =  75.666%  kept
      O   HA    TRP   49 - HN    CYS   50   3.24 +/- 0.17  22.636% * 51.3048% (0.87  10.0   2.61   2.51) =  24.332%  kept
          HA    ALA   47 - HN    CYS   50   4.33 +/- 0.40   2.920% *  0.0335% (0.57   1.0   0.02   6.95) =   0.002%
          HA1   GLY  109 - HN    CYS   50  14.39 +/- 2.23   0.004% *  0.0571% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.46 +/- 1.41   0.003% *  0.0265% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.67 +/- 1.00   0.000% *  0.0406% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  28.76 +/- 0.57   0.000% *  0.0202% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 4.54, residual support = 84.9:
      O   HA    TRP   49 - HN    TRP   49   2.93 +/- 0.01  77.811% * 80.8317% (0.87  10.0   4.60  87.20) =  97.116%  kept
          HA    ALA   47 - HN    TRP   49   3.92 +/- 0.30  14.929% *  6.4402% (0.57   1.0   2.44  14.63) =   1.485%  kept
          HA    CYS   50 - HN    TRP   49   4.40 +/- 0.25   7.250% * 12.5006% (0.98   1.0   2.74   2.51) =   1.399%  kept
          HA1   GLY  109 - HN    TRP   49  15.37 +/- 2.13   0.005% *  0.0899% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.41 +/- 1.32   0.004% *  0.0418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.63 +/- 0.94   0.001% *  0.0640% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  29.38 +/- 0.38   0.000% *  0.0318% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 2.3, residual support = 87.2:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.989% * 99.6863% (0.92  10.0   2.30  87.20) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  13.15 +/- 1.62   0.009% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  16.95 +/- 2.13   0.002% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  22.15 +/- 2.64   0.000% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  25.82 +/- 1.59   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  32.45 +/- 1.97   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   2.80 +/- 0.49  89.651% * 99.4352% (0.98  10.0   1.39   1.39) =  99.986%  kept
          HA    TRP   49 - HN    GLY   51   4.98 +/- 0.87   9.223% *  0.1264% (0.87   1.0   0.02   0.02) =   0.013%
          HA    ALA   47 - HN    GLY   51   7.05 +/- 1.30   1.102% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  13.17 +/- 2.40   0.014% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.12 +/- 1.52   0.009% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  22.42 +/- 1.45   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.67 +/- 0.99   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 2.84, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.42 +/- 0.28  99.912% * 99.5416% (0.92  10.0   2.84  10.06) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.20 +/- 0.90   0.035% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51   9.87 +/- 1.25   0.046% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.25 +/- 1.57   0.002% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.29 +/- 1.00   0.003% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.51 +/- 1.32   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.14 +/- 1.28   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.74 +/- 0.96   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.40 +/- 1.14   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.45 +/- 1.45   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.14, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.61 +/- 0.10  99.993% * 99.1159% (0.98 10.00   6.14  31.90) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.08 +/- 0.60   0.007% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  25.15 +/- 1.52   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.99 +/- 1.31   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 = 6.14, residual support = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.61 +/- 0.10  99.990% * 99.6035% (0.85 10.00   6.14  31.90) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.08 +/- 0.60   0.007% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  15.91 +/- 0.78   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.07 +/- 0.70   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.93 +/- 0.87   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.91 +/- 1.06   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.38 +/- 0.57   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  21.85 +/- 0.71   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.256, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.12 +/- 0.61  80.577% *  4.3392% (0.10   0.02   0.02) =  58.871%  kept
          HN    TRP   87 - HN    ARG+  54  19.32 +/- 0.98   3.254% * 29.7440% (0.69   0.02   0.02) =  16.295%  kept
          HD21  ASN   69 - HN    ASP-  62  15.39 +/- 0.99  12.744% *  5.8573% (0.14   0.02   0.02) =  12.569%  kept
          HN    GLN   17 - HN    ARG+  54  20.26 +/- 1.06   2.307% * 23.1904% (0.54   0.02   0.02) =   9.009%  kept
          HD21  ASN   69 - HN    ARG+  54  25.96 +/- 0.60   0.510% * 31.3037% (0.72   0.02   0.02) =   2.687%  kept
          HN    TRP   87 - HN    ASP-  62  25.64 +/- 1.56   0.608% *  5.5654% (0.13   0.02   0.02) =   0.569%  kept
    Distance limit 3.83 A violated in 20 structures by 6.89 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 = 17.6:
          HN    PHE   55 - HN    ILE   56   2.45 +/- 0.18  99.898% * 99.1178% (0.95   3.94  17.58) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.11 +/- 0.23   0.043% *  0.1641% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.65 +/- 0.31   0.057% *  0.0200% (0.04   0.02   5.35) =   0.000%
          HN    ALA   88 - HN    ILE   56  21.32 +/- 1.44   0.000% *  0.4611% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.94 +/- 1.01   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  19.95 +/- 5.68   0.001% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  23.68 +/- 2.34   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  26.45 +/- 2.86   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 = 5.2, residual support = 33.3:
          HN    ALA   57 - HN    ILE   56   2.43 +/- 0.19  99.979% * 99.0176% (0.87   5.20  33.33) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.10 +/- 2.01   0.014% *  0.3515% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.49 +/- 1.02   0.003% *  0.1805% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.20 +/- 1.68   0.001% *  0.3937% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.29 +/- 1.31   0.003% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  24.21 +/- 2.29   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  30.23 +/- 4.65   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  29.55 +/- 4.33   0.000% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 122.7:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.01  99.250% * 95.8570% (0.15  10.0   5.05 122.69) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.26 +/- 0.11   0.428% *  0.5877% (0.95   1.0   0.02   0.02) =   0.003%
          HA    THR   46 - HN    ILE   56   7.86 +/- 0.68   0.304% *  0.4975% (0.80   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  16.23 +/- 1.05   0.004% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.10 +/- 0.59   0.004% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  21.67 +/- 0.86   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.84 +/- 0.63   0.001% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.78 +/- 1.09   0.002% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  27.85 +/- 0.99   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  17.15 +/- 2.16   0.003% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.59 +/- 1.33   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  20.33 +/- 3.85   0.002% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  25.43 +/- 4.32   0.000% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  26.64 +/- 4.34   0.000% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  27.10 +/- 2.63   0.000% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  29.39 +/- 4.93   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  30.26 +/- 5.38   0.000% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  33.40 +/- 6.58   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  24.18 +/- 2.88   0.000% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  32.75 +/- 4.62   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 = 5.2, residual support = 33.3:
          HN    ILE   56 - HN    ALA   57   2.43 +/- 0.19  99.933% * 98.5739% (0.98   5.20  33.33) = 100.000%  kept
          HN    LEU   63 - HN    ALA   57   8.99 +/- 0.18   0.042% *  0.3570% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   57  10.67 +/- 1.74   0.025% *  0.3469% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  20.58 +/- 0.71   0.000% *  0.3469% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.60 +/- 0.87   0.000% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  24.21 +/- 2.29   0.000% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  32.33 +/- 1.19   0.000% *  0.1883% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 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   2.84 +/- 0.15  99.677% * 97.7864% (0.47 10.00   3.68  19.27) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.39 +/- 0.59   0.047% *  0.6051% (0.29 10.00   0.02   5.13) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.12 +/- 0.90   0.275% *  0.0282% (0.14  1.00   0.02   0.59) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.23 +/- 0.74   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 = 0.274, support = 4.66, residual support = 55.5:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.05  62.597% * 86.5230% (0.24  10.0   4.97  58.43) =  92.112%  kept
          HA    ILE   56 - HN    PHE   59   3.02 +/- 0.12  37.376% * 12.4091% (0.69   1.0   0.99  20.71) =   7.888%  kept
          HA    ASP- 113 - HN    PHE   59  10.75 +/- 1.08   0.022% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.87 +/- 0.81   0.004% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  19.45 +/- 0.60   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.62 +/- 0.64   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  26.31 +/- 0.88   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   2.82 +/- 0.06  99.890% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57   9.48 +/- 0.27   0.071% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.16 +/- 0.71   0.029% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  14.36 +/- 1.35   0.007% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  18.61 +/- 1.21   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  21.33 +/- 0.47   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.29 +/- 0.62   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  23.44 +/- 1.02   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  32.12 +/- 0.96   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 = 0.988, support = 4.65, residual support = 33.3:
      O   HA    ILE   56 - HN    ALA   57   3.13 +/- 0.07  94.693% * 90.8461% (0.99  10.0   4.64  33.33) =  99.467%  kept
          HA    PRO   58 - HN    ALA   57   5.07 +/- 0.16   5.277% *  8.7373% (0.34   1.0   5.59  24.78) =   0.533%  kept
          HA    ASP- 113 - HN    ALA   57  12.59 +/- 0.84   0.024% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.91 +/- 0.87   0.003% *  0.0915% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.34 +/- 0.43   0.001% *  0.0822% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.43 +/- 0.52   0.001% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.02 +/- 0.75   0.001% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  28.62 +/- 0.89   0.000% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.13 +/- 0.97   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   2.73 +/- 0.12  99.970% * 97.7864% (0.61 10.00   4.73  40.67) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.96 +/- 0.36   0.009% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.32 +/- 0.77   0.004% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.70 +/- 0.63   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 = 4.6, residual support = 36.6:
          QD    PHE   60 - HN    ALA   61   3.22 +/- 0.57  80.890% * 49.7763% (0.57   4.77  40.67) =  89.821%  kept
          HN    PHE   59 - HN    ALA   61   4.33 +/- 0.15  17.390% * 24.5960% (0.41   3.24   0.31) =   9.541%  kept
          QE    PHE   59 - HN    ALA   61   6.78 +/- 0.54   1.127% * 25.1743% (0.80   1.70   0.31) =   0.633%  kept
          HN    LYS+  66 - HN    ALA   61   7.56 +/- 0.27   0.592% *  0.3615% (0.98   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    ALA   61  21.68 +/- 0.89   0.001% *  0.0920% (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 = 0.749, residual support = 0.745:
          HA    PRO   58 - HN    ALA   61   3.65 +/- 0.13  95.814% * 86.4752% (0.97   0.75   0.75) =  99.950%  kept
          HA    ILE   56 - HN    ALA   61   6.45 +/- 0.24   3.306% *  0.9836% (0.41   0.02   0.02) =   0.039%
          HA    GLN   17 - HN    ALA   61   9.02 +/- 0.77   0.500% *  0.8980% (0.38   0.02   0.02) =   0.005%
          HA    THR   46 - HN    ALA   61   9.82 +/- 0.89   0.301% *  1.0727% (0.45   0.02   0.02) =   0.004%
          HA    GLU-  15 - HN    ALA   61  14.33 +/- 0.66   0.028% *  2.2633% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.39 +/- 1.03   0.029% *  1.2588% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  16.85 +/- 0.37   0.010% *  2.3926% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.65 +/- 0.81   0.003% *  2.2633% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.12 +/- 0.46   0.007% *  0.5966% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.51 +/- 1.31   0.002% *  0.8980% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  24.06 +/- 0.72   0.001% *  0.8980% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.94 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   3.84 +/- 0.28  99.239% * 84.4482% (0.41   2.00   1.99) =  99.984%  kept
          HA    ASP-  44 - HN    ALA   61   9.27 +/- 0.96   0.650% *  1.7839% (0.87   0.02   0.02) =   0.014%
          HB    THR   77 - HN    ALA   61  15.83 +/- 1.41   0.030% *  1.8984% (0.92   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ALA   61  14.56 +/- 0.44   0.036% *  1.4933% (0.73   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  18.50 +/- 1.18   0.009% *  1.8443% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   61  18.53 +/- 0.50   0.008% *  2.0158% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  19.18 +/- 0.55   0.007% *  1.7177% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  17.24 +/- 0.75   0.014% *  0.3173% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  25.14 +/- 1.39   0.001% *  1.8984% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  26.77 +/- 1.03   0.001% *  1.7177% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.24 +/- 0.84   0.002% *  0.4579% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  25.85 +/- 2.14   0.001% *  0.4070% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.52 +/- 0.07  99.988% * 99.7221% (0.98 10.00   5.85  42.46) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.47 +/- 0.44   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.56 +/- 0.31   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.91 +/- 0.62   0.000% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.29 +/- 0.79   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 6.94, residual support = 55.1:
        T HN    ALA   64 - HN    LEU   63   2.70 +/- 0.10 100.000% *100.0000% (0.97 10.00   6.94  55.08) = 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 = 4.68, residual support = 28.1:
        T HN    LYS+  65 - HN    ALA   64   2.56 +/- 0.12 100.000% *100.0000% (0.97 10.00   4.68  28.07) = 100.000%  kept
    Distance limit 3.54 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 = 6.94, residual support = 55.1:
          HN    LEU   63 - HN    ALA   64   2.70 +/- 0.10  99.981% * 99.0213% (0.99   6.94  55.08) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  11.85 +/- 0.49   0.014% *  0.2724% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.62 +/- 1.82   0.003% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  18.86 +/- 0.44   0.001% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  23.38 +/- 1.21   0.000% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  25.26 +/- 3.30   0.000% *  0.1184% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.88 +/- 0.78   0.000% *  0.0641% (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 = 4.68, residual support = 28.1:
        T HN    ALA   64 - HN    LYS+  65   2.56 +/- 0.12 100.000% *100.0000% (0.67 10.00   4.68  28.07) = 100.000%  kept
    Distance limit 3.42 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 = 6.22, residual support = 26.3:
          HN    LYS+  66 - HN    LYS+  65   2.59 +/- 0.14  99.153% * 99.3394% (0.68   6.22  26.27) =  99.998%  kept
          QD    PHE   60 - HN    LYS+  65   6.16 +/- 0.58   0.702% *  0.1845% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.72 +/- 0.67   0.076% *  0.2609% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.78 +/- 0.24   0.068% *  0.1340% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  25.17 +/- 1.04   0.000% *  0.0813% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 1.03, residual support = 3.85:
          HA    ASP-  62 - HN    LYS+  65   3.33 +/- 0.18  99.987% * 96.3295% (0.67   1.03   3.85) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.87 +/- 0.88   0.010% *  1.4084% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  19.28 +/- 0.84   0.003% *  1.9224% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  28.28 +/- 1.78   0.000% *  0.3397% (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 = 6.22, residual support = 26.3:
        T HN    LYS+  65 - HN    LYS+  66   2.59 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.22  26.27) = 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 = 5.07, residual support = 116.1:
      O   HA    LYS+  66 - HN    LYS+  66   2.84 +/- 0.07  99.999% * 99.9389% (0.97  10.0   5.07 116.05) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.67 +/- 1.27   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  27.66 +/- 0.85   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 = 3.03, residual support = 52.8:
          HD22  ASN   28 - HE3   TRP   27   4.20 +/- 0.29  99.993% * 95.0058% (0.08   3.03  52.82) = 100.000%  kept
          HD22  ASN   28 - HN    LEU   67  21.32 +/- 0.77   0.007% *  4.9942% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 60.4:
      O   HA    LEU   67 - HN    LEU   67   2.93 +/- 0.02  99.940% * 99.9623% (1.00  10.0   5.85  60.38) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  11.25 +/- 1.95   0.056% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.17 +/- 0.63   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  18.43 +/- 1.29   0.002% *  0.0126% (0.13   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 = 4.71, residual support = 11.2:
      O   HA    LYS+  66 - HN    LEU   67   3.19 +/- 0.49  99.970% * 99.9186% (0.97  10.0   4.71  11.16) = 100.000%  kept
          HA    GLU-  36 - HN    LEU   67  20.22 +/- 1.33   0.003% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  15.94 +/- 3.98   0.021% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  17.91 +/- 1.13   0.005% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.98 +/- 0.96   0.002% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  28.22 +/- 1.05   0.000% *  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 = 26.0:
        T HN    VAL   70 - HN    ASN   69   2.81 +/- 0.57  99.995% * 99.9644% (0.87 10.00   5.26  25.96) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.50 +/- 1.02   0.005% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.55, residual support = 60.1:
      O   HA    ASN   69 - HN    ASN   69   2.85 +/- 0.04  99.993% * 99.8231% (0.76  10.0   5.55  60.05) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.60 +/- 0.61   0.006% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  20.94 +/- 0.59   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 = 3.21, residual support = 60.1:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.999% * 99.9103% (0.52  10.0 10.00   3.21  60.05) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  12.99 +/- 1.34   0.001% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.02 +/- 0.86   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 = 3.21, residual support = 60.1:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 99.7566% (0.52  10.0   3.21  60.05) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.92 +/- 0.97   0.002% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  32.39 +/- 2.80   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  33.36 +/- 4.58   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 = 1.5, residual support = 35.3:
          QE    PHE   72 - HN    VAL   70   4.14 +/- 0.72  99.983% * 97.1675% (0.45   1.50  35.30) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.61 +/- 0.92   0.017% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.13 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.0:
        T HN    ASN   69 - HN    VAL   70   2.81 +/- 0.57  99.983% * 99.9392% (0.87 10.00   5.26  25.96) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  13.47 +/- 0.82   0.014% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.13 +/- 0.90   0.004% *  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   3.96 +/- 0.44 100.000% *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 = 81.4:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.523% * 99.2525% (0.84  10.0   3.89  81.43) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   7.97 +/- 0.68   0.283% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.02 +/- 1.21   0.172% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.46 +/- 1.20   0.013% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.72 +/- 0.86   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  17.42 +/- 1.14   0.002% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.28 +/- 0.84   0.004% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  23.91 +/- 1.40   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  28.83 +/- 3.04   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  25.01 +/- 1.02   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  30.96 +/- 1.76   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 138.7:
      O   HA    LEU   71 - HN    LEU   71   2.92 +/- 0.01  99.842% * 99.9402% (1.00  10.0   6.65 138.70) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.87 +/- 0.42   0.133% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  11.67 +/- 0.38   0.025% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 5.31, residual support = 32.8:
      O   HA    VAL   70 - HN    LEU   71   2.29 +/- 0.03  99.367% * 99.5202% (1.00  10.0   5.31  32.76) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.37 +/- 1.11   0.518% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   7.82 +/- 0.67   0.074% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.62 +/- 0.77   0.011% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   9.66 +/- 1.25   0.027% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.93 +/- 0.62   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.99 +/- 0.90   0.000% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  25.93 +/- 3.61   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.71 +/- 1.01   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 = 2.29, residual support = 3.04:
          HA    VAL   41 - HN    LEU   71   3.58 +/- 0.45  99.879% * 98.7866% (1.00   2.29   3.04) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  12.13 +/- 1.56   0.097% *  0.7232% (0.84   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU   71  14.84 +/- 0.36   0.024% *  0.4902% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.29, residual support = 2.33:
          HN    VAL   42 - HN    LEU   71   4.43 +/- 0.41  88.620% * 79.5274% (0.61   2.32   2.37) =  98.370%  kept
          HN    LEU   73 - HN    LEU   71   7.11 +/- 0.20   5.708% * 19.3628% (0.61   0.56   0.02) =   1.543%  kept
          HN    ILE   19 - HN    LEU   71   7.28 +/- 0.50   5.672% *  1.1098% (0.98   0.02   0.02) =   0.088%
    Distance limit 4.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.53, residual support = 90.8:
          QD    PHE   72 - HN    PHE   72   2.55 +/- 0.37  99.936% * 98.9049% (0.45   5.53  90.77) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.02 +/- 0.76   0.038% *  0.5791% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  10.93 +/- 0.91   0.027% *  0.5159% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.11, residual support = 90.8:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.11  90.77) = 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 = 5.34, residual support = 19.5:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.01  99.860% * 99.9402% (1.00  10.0   5.34  19.45) = 100.000%  kept
          HA    ALA   20 - HN    PHE   72   7.77 +/- 0.46   0.055% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   43 - HN    PHE   72   7.20 +/- 0.43   0.085% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.581, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  12.48 +/- 1.11  36.658% * 29.8815% (0.73   0.02   0.02) =  66.211%  kept
          HA    PHE   45 - HN    PHE   72  11.98 +/- 0.42  45.359% *  7.2068% (0.18   0.02   0.02) =  19.759%  kept
          HB    THR   23 - HN    PHE   72  14.65 +/- 1.01  13.514% *  9.1616% (0.22   0.02   0.02) =   7.484%  kept
          HA    ASP-  78 - HN    PHE   72  20.60 +/- 0.28   1.775% * 39.7133% (0.97   0.02   0.02) =   4.261%  kept
          HA    LEU   80 - HN    PHE   72  20.19 +/- 2.10   2.695% * 14.0368% (0.34   0.02   0.02) =   2.286%  kept
    Distance limit 4.38 A violated in 20 structures by 6.08 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 1.39, residual support = 2.17:
          QE    PHE   60 - HN    LEU   73   5.67 +/- 0.93  92.576% * 82.9316% (0.49   1.40   2.19) =  99.351%  kept
          HN    LEU   63 - HN    LEU   73  10.21 +/- 0.39   3.610% * 11.5132% (0.41   0.23   0.02) =   0.538%  kept
          HD21  ASN   28 - HN    LEU   73  10.56 +/- 0.42   3.307% *  2.3883% (0.98   0.02   4.00) =   0.102%
          HZ2   TRP   87 - HN    LEU   73  19.25 +/- 3.99   0.183% *  2.4150% (0.99   0.02   0.02) =   0.006%
          HN    ILE   56 - HN    LEU   73  15.14 +/- 0.59   0.324% *  0.7520% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.50 A violated in 12 structures by 1.17 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.62, residual support = 173.8:
      O   HA    LEU   73 - HN    LEU   73   2.94 +/- 0.00 100.000% *100.0000% (0.95  10.0   6.62 173.81) = 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 = 40.9:
      O   HA    PHE   72 - HN    LEU   73   2.32 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.16  40.89) = 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 = 0.528, support = 3.67, residual support = 8.28:
          HA    VAL   43 - HN    LEU   73   2.92 +/- 0.42  97.848% * 68.6720% (0.53   3.69   8.34) =  99.383%  kept
          HA    LEU   71 - HN    LEU   73   6.24 +/- 0.09   1.347% * 30.8952% (0.84   1.04   0.02) =   0.616%  kept
          HA    ALA   20 - HN    LEU   73   6.85 +/- 0.36   0.734% *  0.0958% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    LEU   73  10.90 +/- 0.66   0.047% *  0.1401% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.16 +/- 0.34   0.024% *  0.1968% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 3.95, residual support = 9.41:
        T HN    CYS   21 - HN    LYS+  74   2.69 +/- 0.20  99.993% * 95.8247% (0.12 10.00   3.95   9.41) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.88 +/- 0.58   0.001% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  17.17 +/- 2.29   0.003% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.75 +/- 0.73   0.002% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.12 +/- 0.63   0.002% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.583, support = 4.61, residual support = 23.4:
        T HN    ILE   19 - HN    LYS+  74   5.16 +/- 0.55  31.570% * 72.8275% (0.54 10.00   3.25   7.69) =  56.023%  kept
          HN    LEU   73 - HN    LYS+  74   4.48 +/- 0.03  66.670% * 27.0682% (0.64  1.00   6.33  43.47) =  43.973%  kept
          HN    VAL   42 - HN    LYS+  74   8.25 +/- 0.30   1.742% *  0.0855% (0.64  1.00   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HN    LYS+  74  17.63 +/- 0.52   0.018% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.86, residual support = 43.5:
      O   HA    LEU   73 - HN    LYS+  74   2.33 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.86  43.47) = 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 = 6.16, residual support = 187.2:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.913% * 99.4309% (0.20  10.0   6.16 187.17) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.65 +/- 0.36   0.081% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.37 +/- 0.52   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.21 +/- 1.38   0.001% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 3.71, residual support = 8.17:
          HA    ALA   20 - HN    LYS+  74   3.11 +/- 0.35  99.774% * 99.7069% (0.68   3.71   8.17) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.83 +/- 0.20   0.226% *  0.2931% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.03, residual support = 31.8:
      O   HA    LYS+  74 - HN    VAL   75   2.21 +/- 0.03  99.994% * 99.7992% (0.61  10.0   6.03  31.82) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.23 +/- 0.52   0.006% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.93 +/- 1.35   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.77, residual support = 36.5:
      O   HA    ASP-  76 - HN    ASP-  76   2.85 +/- 0.04  99.999% * 99.5538% (0.22  10.0   3.77  36.50) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.62 +/- 1.10   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.24 +/- 0.01  99.858% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.35 +/- 0.94   0.137% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.35 +/- 1.38   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.71 +/- 0.62   0.002% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.98 +/- 0.72   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 5.13, residual support = 27.5:
        T HN    ASP-  78 - HN    THR   77   2.68 +/- 0.14  99.062% * 99.9203% (0.98 10.00   5.13  27.48) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.87 +/- 0.34   0.937% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.33 +/- 1.85   0.001% *  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 = 5.13, residual support = 27.5:
        T HN    THR   77 - HN    ASP-  78   2.68 +/- 0.14 100.000% *100.0000% (1.00 10.00   5.13  27.48) = 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 = 3.7, residual support = 14.5:
        T HN    GLU-  79 - HN    ASP-  78   2.46 +/- 0.11  99.986% * 99.9158% (0.99 10.00   3.70  14.49) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  11.19 +/- 1.03   0.014% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 3.7, residual support = 14.5:
        T HN    ASP-  78 - HN    GLU-  79   2.46 +/- 0.11  99.920% * 99.9001% (0.56 10.00   3.70  14.49) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.11 +/- 0.35   0.080% *  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 = 4.21, residual support = 53.4:
      O   HA    GLU-  79 - HN    GLU-  79   2.62 +/- 0.20  98.884% * 99.4285% (0.60  10.0   4.21  53.41) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.70 +/- 0.31   1.088% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.94 +/- 0.65   0.013% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.92 +/- 0.74   0.009% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.81 +/- 1.33   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  14.73 +/- 0.91   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  24.15 +/- 1.55   0.000% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  26.51 +/- 0.86   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  31.37 +/- 2.65   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 = 3.79, residual support = 14.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.07  99.439% * 98.7485% (0.08  10.0   3.79  14.49) =  99.996%  kept
          HA    PHE   45 - HN    GLU-  79   8.72 +/- 0.81   0.557% *  0.7232% (0.60   1.0   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    GLU-  79  19.82 +/- 0.83   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.61 +/- 1.47   0.000% *  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 = 11.3:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.02 100.000% * 99.8354% (0.53  10.0   4.53  11.32) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.11 +/- 0.90   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 = 1.22, residual support = 3.83:
          HA    ALA   47 - HN    THR   77   4.11 +/- 1.13  94.000% * 88.9774% (0.57   1.22   3.83) =  99.828%  kept
          HA    CYS   50 - HN    THR   77   8.46 +/- 1.30   4.112% *  2.5191% (0.98   0.02   0.02) =   0.124%
          HA    TRP   49 - HN    THR   77   9.29 +/- 0.48   1.557% *  2.2293% (0.87   0.02   0.02) =   0.041%
          HA    CYS   21 - HN    THR   77  13.45 +/- 0.52   0.175% *  1.7653% (0.69   0.02   0.02) =   0.004%
          HA1   GLY  109 - HN    THR   77  15.62 +/- 1.67   0.051% *  2.4802% (0.97   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    THR   77  13.95 +/- 1.26   0.101% *  1.1522% (0.45   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    THR   77  24.68 +/- 0.99   0.004% *  0.8766% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 2 structures by 0.36 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.254, support = 1.21, residual support = 11.8:
          HA    THR   46 - HN    THR   77   5.51 +/- 0.86  80.687% * 80.8915% (0.25   1.22  11.98) =  98.937%  kept
          HA    GLN   90 - HN    THR   77   7.43 +/- 0.94  18.384% *  3.6408% (0.69   0.02   0.02) =   1.015%  kept
          HA    ALA  110 - HN    THR   77  14.52 +/- 2.36   0.345% *  3.0008% (0.57   0.02   0.02) =   0.016%
          HA    PHE   55 - HN    THR   77  15.40 +/- 0.62   0.216% *  4.5976% (0.87   0.02   0.02) =   0.015%
          HA    VAL   42 - HN    THR   77  15.60 +/- 0.45   0.183% *  4.5976% (0.87   0.02   0.02) =   0.013%
          HA    GLN   17 - HN    THR   77  16.79 +/- 0.88   0.179% *  1.6359% (0.31   0.02   0.02) =   0.004%
          HA    SER   37 - HN    THR   77  27.42 +/- 1.00   0.007% *  1.6359% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 10 structures by 1.01 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.43 +/- 0.20  97.233% * 99.1602% (0.76  10.0   4.01  37.67) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.54 +/- 0.48   2.399% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.70 +/- 0.53   0.212% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  12.55 +/- 1.48   0.054% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.95 +/- 1.47   0.031% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.20 +/- 1.24   0.066% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  21.50 +/- 0.91   0.002% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.23 +/- 1.06   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  24.32 +/- 0.79   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.44 +/- 1.45   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  24.72 +/- 0.61   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.49 +/- 1.78   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.84, residual support = 39.7:
        T HN    LEU   80 - HN    LYS+  81   3.88 +/- 0.30  93.783% * 98.5772% (0.65 10.00   4.84  39.66) =  99.995%  kept
          HN    SER   85 - HN    LYS+  81   6.22 +/- 0.26   6.195% *  0.0683% (0.45  1.00   0.02   0.02) =   0.005%
        T HN    ALA   34 - HN    LYS+  81  25.45 +/- 3.94   0.002% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  16.96 +/- 1.18   0.016% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  23.80 +/- 4.58   0.003% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 19.7:
        T HN    SER   82 - HN    LYS+  81   2.69 +/- 0.10  99.983% * 99.8569% (1.00 10.00   4.72  19.66) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  11.57 +/- 0.73   0.017% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  27.01 +/- 1.45   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  28.43 +/- 4.06   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  29.22 +/- 2.09   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 = 5.84, residual support = 39.7:
      O   HA    LEU   80 - HN    LYS+  81   2.39 +/- 0.17  98.679% * 99.6041% (0.69  10.0   5.84  39.66) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.51 +/- 0.69   1.140% *  0.1372% (0.95   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    LYS+  81  10.45 +/- 3.65   0.124% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+  81  11.27 +/- 3.78   0.057% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  27.82 +/- 3.32   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 = 5.43, residual support = 110.5:
      O   HA    LYS+  81 - HN    LYS+  81   2.77 +/- 0.04  99.996% * 99.7055% (0.99  10.0   5.43 110.48) = 100.000%  kept
          HA    ARG+  54 - HN    LYS+  81  19.13 +/- 1.69   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  19.37 +/- 4.82   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  31.97 +/- 4.12   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  25.22 +/- 2.04   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  37.05 +/- 2.39   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 = 4.19, residual support = 34.8:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.05  99.978% * 98.7108% (0.25  10.0   4.19  34.78) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  14.73 +/- 4.48   0.016% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  17.04 +/- 3.46   0.003% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  18.91 +/- 1.20   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  20.73 +/- 1.93   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  29.07 +/- 3.34   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 = 0.201, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  10.72 +/- 3.26  99.333% * 32.4951% (0.20   0.02   0.02) =  98.623%  kept
          HA    ASP- 105 - HN    SER   82  27.75 +/- 4.23   0.667% * 67.5049% (0.41   0.02   0.02) =   1.377%  kept
    Distance limit 4.26 A violated in 20 structures by 6.45 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.6:
        T HN    VAL   83 - HN    SER   82   2.70 +/- 0.16  99.996% * 99.9274% (1.00 10.00   5.62  19.63) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  15.19 +/- 1.34   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.72, residual support = 19.7:
          HN    LYS+  81 - HN    SER   82   2.69 +/- 0.10  99.980% * 99.3634% (1.00   4.72  19.66) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  15.10 +/- 4.90   0.018% *  0.0940% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  18.07 +/- 1.05   0.001% *  0.3382% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.40 +/- 1.49   0.000% *  0.0740% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  28.23 +/- 1.56   0.000% *  0.1304% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 7.61, residual support = 43.6:
        T HN    ALA   84 - HN    VAL   83   2.63 +/- 0.05  99.999% * 99.6823% (0.75 10.00   7.61  43.59) = 100.000%  kept
          HN    LYS+ 111 - HN    VAL   83  22.25 +/- 3.84   0.001% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.64 +/- 1.70   0.001% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  25.77 +/- 4.46   0.000% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  24.20 +/- 1.86   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 = 19.6:
        T HN    SER   82 - HN    VAL   83   2.70 +/- 0.16  99.946% * 99.8569% (0.75 10.00   5.62  19.63) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.23 +/- 1.08   0.054% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  26.23 +/- 4.47   0.000% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  27.12 +/- 1.68   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  28.23 +/- 3.58   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   2.71 +/- 0.10  99.992% * 99.8725% (0.99 10.00   3.77  20.73) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  14.08 +/- 1.90   0.008% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  23.56 +/- 3.55   0.000% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  25.23 +/- 3.17   0.000% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.61, residual support = 43.6:
        T HN    VAL   83 - HN    ALA   84   2.63 +/- 0.05  99.993% * 99.9274% (1.00 10.00   7.61  43.59) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  13.40 +/- 1.29   0.007% *  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 = 2.26, residual support = 5.01:
          HA    LYS+  81 - HN    ALA   84   3.28 +/- 0.25  99.989% * 95.7059% (0.80   2.26   5.01) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  18.77 +/- 3.65   0.006% *  0.5137% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.04 +/- 0.92   0.003% *  1.0186% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  23.52 +/- 2.53   0.001% *  0.4732% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  26.75 +/- 2.96   0.000% *  0.3258% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  31.74 +/- 3.40   0.000% *  0.7250% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  26.18 +/- 2.87   0.001% *  0.1848% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  35.98 +/- 2.62   0.000% *  1.0531% (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 = 0.491, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83  13.85 +/- 3.73  55.540% * 13.1508% (0.34   0.02   0.02) =  42.276%  kept
          HA    CYS   53 - HN    VAL   83  17.91 +/- 1.73  16.547% * 27.0775% (0.70   0.02   0.02) =  25.934%  kept
          HA    THR   26 - HN    VAL   83  16.28 +/- 2.97  18.280% * 21.2999% (0.55   0.02   0.02) =  22.537%  kept
          HA    ILE   19 - HN    VAL   83  19.97 +/- 1.93   6.529% * 20.1488% (0.52   0.02   0.02) =   7.614%  kept
          HA    GLU- 114 - HN    VAL   83  27.45 +/- 3.92   1.517% * 11.0089% (0.28   0.02   0.02) =   0.967%  kept
          HA1   GLY  101 - HN    VAL   83  25.52 +/- 3.84   1.586% *  7.3142% (0.19   0.02   0.02) =   0.672%  kept
    Distance limit 4.26 A violated in 20 structures by 7.93 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 2.58, residual support = 5.12:
        T HN    SER   85 - HN    VAL   83   4.34 +/- 0.10  62.526% * 97.9507% (0.58 10.00   2.60   5.17) =  99.008%  kept
          HN    LEU   80 - HN    VAL   83   4.87 +/- 0.81  37.443% *  1.6395% (0.26  1.00   0.75   0.02) =   0.992%  kept
        T HN    CYS   53 - HN    VAL   83  17.44 +/- 1.63   0.020% *  0.2245% (0.13 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    VAL   83  22.28 +/- 4.11   0.007% *  0.1279% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  24.10 +/- 3.71   0.004% *  0.0575% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.29, residual support = 7.34:
          HN    SER   82 - HN    ALA   84   3.77 +/- 0.17  98.672% * 99.2416% (0.87   4.29   7.34) =  99.995%  kept
          HN    GLN   90 - HN    ALA   84   8.08 +/- 0.81   1.326% *  0.3661% (0.69   0.02   0.02) =   0.005%
          HN    ILE  103 - HN    ALA   84  26.49 +/- 3.24   0.001% *  0.2594% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  27.71 +/- 1.53   0.001% *  0.1329% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.47 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   2.47 +/- 0.08  99.999% * 97.4561% (0.80   3.33  13.44) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  21.87 +/- 3.51   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  20.66 +/- 3.62   0.000% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  28.75 +/- 3.61   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  28.27 +/- 3.21   0.000% *  0.4725% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  32.43 +/- 2.84   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   2.71 +/- 0.10  99.906% * 97.8189% (0.90   3.77  20.73) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   9.04 +/- 0.82   0.091% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  18.45 +/- 4.15   0.002% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.32 +/- 1.08   0.000% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  22.30 +/- 2.88   0.000% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  26.17 +/- 1.36   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  28.60 +/- 4.27   0.000% *  0.2816% (0.49   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 = 5.17:
        T HN    VAL   83 - HN    SER   85   4.34 +/- 0.10  99.927% * 99.9526% (0.87 10.00   2.60   5.17) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  14.96 +/- 1.48   0.073% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.22 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.03  96.352% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.92 +/- 0.08   3.408% *  0.0449% (0.45   1.0   0.02  13.44) =   0.002%
          HB    THR   77 - HN    SER   85   8.83 +/- 1.72   0.189% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.10 +/- 0.34   0.046% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  17.68 +/- 2.22   0.002% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  18.59 +/- 1.52   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  26.38 +/- 3.31   0.000% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.53 +/- 1.03   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  31.47 +/- 2.83   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  32.00 +/- 2.22   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  39.20 +/- 3.85   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  36.55 +/- 3.17   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 = 0.612, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  19.40 +/- 2.94  13.576% * 23.1039% (0.98   0.02   0.02) =  32.179%  kept
          HA    CYS   53 - HN    SER   85  18.51 +/- 1.05  21.185% * 14.2963% (0.61   0.02   0.02) =  31.072%  kept
          HA    GLU-  25 - HN    SER   85  16.49 +/- 3.43  40.083% *  4.1279% (0.18   0.02   0.02) =  16.975%  kept
          HA    ASN   28 - HN    SER   85  20.24 +/- 3.92  11.463% *  5.2476% (0.22   0.02   0.02) =   6.171%  kept
          HA    ILE   19 - HN    SER   85  23.15 +/- 2.04   4.787% *  8.0401% (0.34   0.02   0.02) =   3.949%  kept
          HA    GLU- 114 - HN    SER   85  27.87 +/- 2.93   2.192% * 17.1158% (0.73   0.02   0.02) =   3.848%  kept
          HA1   GLY  101 - HN    SER   85  27.56 +/- 3.23   1.793% * 13.3446% (0.57   0.02   0.02) =   2.455%  kept
          HA    LEU  115 - HN    SER   85  25.10 +/- 2.57   3.661% *  5.8774% (0.25   0.02   0.02) =   2.207%  kept
          HA    ALA   34 - HN    SER   85  28.60 +/- 3.28   1.261% *  8.8463% (0.38   0.02   0.02) =   1.144%  kept
    Distance limit 3.82 A violated in 20 structures by 9.94 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   2.47 +/- 0.08  99.996% * 99.7141% (0.99 10.00   3.33  13.44) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  15.47 +/- 2.26   0.004% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  26.21 +/- 3.62   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  24.25 +/- 3.96   0.000% *  0.0873% (0.87  1.00   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   2.72 +/- 0.06  99.536% * 98.7385% (0.95   3.69  22.52) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.81 +/- 0.53   0.464% *  0.1746% (0.31   0.02  22.52) =   0.001%
          HN    GLN   17 - HN    ASP-  86  28.10 +/- 2.00   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  32.32 +/- 2.55   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.84, support = 4.02, residual support = 40.8:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.02  80.185% * 84.6024% (0.87  10.0   4.05  41.93) =  96.169%  kept
      O   HA    SER   85 - HN    ASP-  86   3.51 +/- 0.02  17.953% * 15.0488% (0.15  10.0   3.27  13.44) =   3.830%  kept
          HA    TRP   87 - HN    ASP-  86   5.17 +/- 0.08   1.764% *  0.0271% (0.28   1.0   0.02  22.52) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.62 +/- 1.70   0.095% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  17.39 +/- 2.45   0.002% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  28.76 +/- 3.60   0.000% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  32.09 +/- 2.65   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  36.59 +/- 3.66   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  39.21 +/- 4.28   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   2.72 +/- 0.06  99.998% * 98.4310% (1.00   3.69  22.52) = 100.000%  kept
          HN    GLU-  29 - HN    TRP   87  20.33 +/- 4.15   0.001% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    TRP   87  21.44 +/- 4.02   0.001% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  27.27 +/- 3.81   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  26.45 +/- 3.01   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  32.77 +/- 3.87   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.855, support = 4.11, residual support = 71.0:
      O   HA    TRP   87 - HN    TRP   87   2.86 +/- 0.13  79.989% * 78.1363% (0.90  10.0   4.16  74.39) =  93.497%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.05  20.011% * 21.7248% (0.25  10.0   3.39  22.52) =   6.503%  kept
          HA    LEU  104 - HN    TRP   87  27.61 +/- 2.96   0.000% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  25.39 +/- 1.80   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  32.40 +/- 3.23   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  37.08 +/- 4.15   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 = 74.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.729% * 98.5150% (0.28  10.0   1.86  74.39) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2774% (0.73   1.0   0.02  74.39) =   0.003%
          HN    ALA   91 - HE1   TRP   87  10.80 +/- 0.37   0.022% *  0.3786% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HE1   TRP   87  15.09 +/- 4.92   0.021% *  0.3426% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  22.16 +/- 2.51   0.000% *  0.3686% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  27.06 +/- 3.90   0.000% *  0.1179% (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 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.782, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87  15.84 +/- 4.92  88.678% * 80.1831% (0.80   0.02   0.02) =  96.941%  kept
          HZ    PHE   72 - HE1   TRP   87  23.69 +/- 3.10  11.322% * 19.8169% (0.20   0.02   0.02) =   3.059%  kept
    Distance limit 4.19 A violated in 20 structures by 11.24 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 3.1, residual support = 5.34:
      O   HA    TRP   87 - HN    ALA   88   2.79 +/- 0.19  68.720% * 98.4700% (0.28  10.0   3.10   5.35) =  99.963%  kept
          HA    SER   85 - HN    ALA   88   3.59 +/- 1.19  27.945% *  0.0546% (0.15   1.0   0.02   0.02) =   0.023%
          HA    ASP-  86 - HN    ALA   88   4.97 +/- 0.88   3.254% *  0.3072% (0.87   1.0   0.02   0.02) =   0.015%
          HB    THR   77 - HN    ALA   88   9.97 +/- 1.67   0.080% *  0.0546% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  17.91 +/- 2.15   0.001% *  0.0701% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  28.80 +/- 2.25   0.000% *  0.3418% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  34.19 +/- 2.99   0.000% *  0.3269% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  38.93 +/- 3.84   0.000% *  0.2958% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  41.69 +/- 4.33   0.000% *  0.0788% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.841, residual support = 22.4:
          HA    TRP   87 - HN    ILE   89   4.44 +/- 0.26  87.379% * 75.8256% (0.61   0.86  23.14) =  96.721%  kept
          HA    ASP-  86 - HN    ILE   89   6.16 +/- 0.43  12.614% * 17.8089% (0.53   0.23   0.31) =   3.279%  kept
          HA    LEU  104 - HN    ILE   89  27.15 +/- 2.03   0.002% *  2.7451% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  23.70 +/- 1.46   0.004% *  0.4478% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  31.84 +/- 2.69   0.001% *  1.7601% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  36.77 +/- 3.44   0.000% *  1.4125% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.15 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.9:
          HN    ALA   91 - HN    GLN   90   2.33 +/- 0.42  99.980% * 99.1370% (0.92   6.75  32.85) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.35 +/- 0.22   0.019% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.42 +/- 0.87   0.000% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  18.52 +/- 2.28   0.001% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  26.18 +/- 1.25   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.359, support = 5.39, residual support = 93.1:
      O   HA    GLN   90 - HN    GLN   90   2.84 +/- 0.04  92.857% * 68.5367% (0.34  10.0   5.45  95.16) =  96.641%  kept
          HA    ALA   91 - HN    GLN   90   4.47 +/- 0.43   7.133% * 31.0096% (0.87   1.0   3.56  32.85) =   3.359%  kept
          HA    ALA  110 - HN    GLN   90  14.62 +/- 1.45   0.006% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  17.67 +/- 0.97   0.002% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  20.02 +/- 2.33   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  17.93 +/- 1.43   0.002% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.2:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.16) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  33.55 +/- 2.89   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.91 +/- 2.68   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 = 95.2:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.759% * 99.4024% (0.76  10.0   1.00  95.16) = 100.000%  kept
          HD1   TRP   49 - HE22  GLN   90   9.03 +/- 1.95   0.226% *  0.0401% (0.15   1.0   0.02   1.04) =   0.000%
          HD21  ASN   35 - HE22  GLN   32   7.86 +/- 0.90   0.015% *  0.0646% (0.25   1.0   0.02   5.85) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  15.26 +/- 1.33   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.38 +/- 1.74   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  24.81 +/- 2.61   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  34.21 +/- 2.67   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  29.17 +/- 2.64   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  33.55 +/- 2.89   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  33.12 +/- 1.01   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  34.04 +/- 2.05   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.64 +/- 1.55   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 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 = 32.9:
        T HN    GLN   90 - HN    ALA   91   2.33 +/- 0.42  99.970% * 99.6698% (0.95 10.00   6.75  32.85) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  11.00 +/- 1.00   0.014% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.46 +/- 0.92   0.009% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  18.52 +/- 2.28   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  15.59 +/- 4.04   0.005% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  23.85 +/- 1.53   0.000% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.02 +/- 1.25   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.22 +/- 0.97   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.11, support = 0.02, residual support = 32.0:
          HA    LEU   73 - HN    TRP   27   7.30 +/- 0.38  99.307% * 10.9973% (0.08   0.02  33.80) =  94.656%  kept
          HA    LEU   73 - HN    ALA   91  17.17 +/- 1.42   0.693% * 89.0027% (0.65   0.02   0.02) =   5.344%  kept
    Distance limit 4.37 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.887, support = 3.41, residual support = 26.4:
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  44.904% * 89.2967% (1.00  10.0   3.12  14.53) =  87.440%  kept
      O   HA    TRP   27 - HN    TRP   27   2.80 +/- 0.02  55.062% * 10.4606% (0.12  10.0   5.42 109.27) =  12.560%  kept
          HA    PRO   52 - HN    ALA   91  11.51 +/- 2.04   0.023% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  16.04 +/- 0.72   0.002% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.80 +/- 1.38   0.007% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.32 +/- 1.90   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.06 +/- 1.43   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  20.48 +/- 0.63   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.13 +/- 1.26   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.13 +/- 1.66   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   4.34 +/- 0.23  99.290% * 98.2295% (0.99   3.55  14.22) =  99.998%  kept
          HD1   TRP   87 - HN    MET   92  10.83 +/- 1.76   0.560% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    MET   92  14.56 +/- 1.14   0.072% *  0.4050% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    MET   92  15.45 +/- 1.43   0.054% *  0.5382% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  17.81 +/- 1.49   0.023% *  0.5002% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.62 +/- 0.74   0.002% *  0.1721% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.0:
      O   HA    MET   92 - HN    MET   92   2.86 +/- 0.04  99.598% * 99.1845% (0.25  10.0   4.52  64.04) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   8.11 +/- 1.44   0.401% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  19.51 +/- 0.73   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.48 +/- 1.29   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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   2.39 +/- 0.20  99.954% * 99.6892% (0.80  10.0   3.55  14.22) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.09 +/- 1.63   0.032% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.75 +/- 0.50   0.005% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.47 +/- 1.57   0.009% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.67 +/- 1.46   0.000% *  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 = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.98 +/- 0.29  98.516% * 99.8946% (0.95 10.00   3.30  27.19) =  99.998%  kept
          HN    ALA  110 - HN    THR   94   6.81 +/- 1.86   1.484% *  0.1054% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.19 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   9.09 +/- 0.29 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 4.80 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.16 +/- 0.01  99.984% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.56 +/- 1.00   0.016% *  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 = 0.976, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.81 +/- 0.13  91.106% * 54.6147% (1.00   0.02   0.02) =  94.441%  kept
          HA    LYS+  74 - HN    THR   94   8.66 +/- 0.50   8.781% * 33.1992% (0.61   0.02   0.02) =   5.533%  kept
          HA    HIS  122 - HN    THR   94  17.98 +/- 1.17   0.114% * 12.1862% (0.22   0.02   0.02) =   0.026%
    Distance limit 3.72 A violated in 20 structures by 2.00 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.6:
          HN    VAL  107 - HN    PHE   95   3.36 +/- 0.30  99.983% * 99.0525% (0.97   2.00  45.63) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.80 +/- 0.97   0.017% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.41 +/- 0.38  99.688% * 99.3380% (0.87   3.86  73.52) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  10.94 +/- 0.51   0.113% *  0.5142% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95   9.79 +/- 0.94   0.199% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.52) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.4:
      O   HA    THR   94 - HN    PHE   95   2.22 +/- 0.05  99.971% * 99.8515% (0.65  10.0   3.16  14.45) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.57 +/- 0.52   0.009% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.17 +/- 0.21   0.020% *  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 +/- 0.03 100.000% *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   2.92 +/- 0.00  99.689% * 99.9800% (0.94  10.0   4.09 115.54) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.70 +/- 0.38   0.311% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 4.57, residual support = 57.0:
        T HN    ASP- 105 - HN    PHE   97   3.62 +/- 0.55  99.994% * 99.9802% (1.00 10.00   4.57  56.95) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  22.67 +/- 2.36   0.006% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.08 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   3.03 +/- 0.60  99.998% * 98.9926% (0.80   4.09  62.62) = 100.000%  kept
          HZ3   TRP   87 - HN    PHE   97  22.68 +/- 4.22   0.001% *  0.5238% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    PHE   97  23.00 +/- 1.05   0.001% *  0.4835% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.93, residual support = 10.1:
          HA    LYS+ 106 - HN    PHE   97   3.37 +/- 0.64 100.000% *100.0000% (0.98   2.93  10.10) = 100.000%  kept
    Distance limit 4.27 A violated in 1 structures by 0.09 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.8:
      O   HA    MET   96 - HN    PHE   97   2.27 +/- 0.10  99.982% * 99.9800% (0.99  10.0   6.07  45.84) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.62 +/- 0.45   0.018% *  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 = 5.31, residual support = 23.2:
        T HN    VAL   41 - HN    LEU   98   3.33 +/- 0.24 100.000% *100.0000% (0.69 10.00   5.31  23.17) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 83.4:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.21  83.39) = 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 = 3.5, residual support = 11.1:
      O   HA    PHE   97 - HN    LEU   98   2.19 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.50  11.09) = 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 = 0.47, support = 1.21, residual support = 3.05:
          HA    VAL   42 - HN    LEU   98   3.39 +/- 0.39  87.541% * 25.6382% (0.45   0.90   0.63) =  72.694%  kept
          HA    LEU   40 - HN    LEU   98   4.97 +/- 0.38  12.408% * 67.9389% (0.53   2.03   9.49) =  27.304%  kept
          HA    SER   37 - HN    LEU   98  13.97 +/- 0.61   0.021% *  1.2249% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.80 +/- 0.73   0.009% *  1.2249% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.34 +/- 0.23   0.008% *  1.2580% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  16.27 +/- 0.87   0.008% *  0.9217% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.99 +/- 0.53   0.004% *  0.8718% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.93 +/- 1.14   0.001% *  0.9217% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 0.915, residual support = 1.75:
          HN    LYS+ 102 - HN    LYS+  99   2.72 +/- 0.52  98.157% * 58.9575% (0.95   0.89   1.77) =  98.931%  kept
          HN    ASP- 105 - HN    LYS+  99   5.99 +/- 0.43   1.620% * 38.5739% (0.18   3.15   0.02) =   1.068%  kept
          HN    THR   39 - HN    LYS+  99   9.40 +/- 0.51   0.091% *  0.5249% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.81 +/- 0.85   0.014% *  1.1199% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.57 +/- 0.23   0.082% *  0.0736% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.59 +/- 0.60   0.025% *  0.0345% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  14.58 +/- 1.47   0.006% *  0.0869% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  24.25 +/- 3.00   0.000% *  0.5750% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  19.85 +/- 4.28   0.003% *  0.0378% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.12 +/- 0.80   0.002% *  0.0161% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 16.7:
      O   HA    LEU   98 - HN    LYS+  99   2.19 +/- 0.01  99.999% * 99.9934% (0.99  10.0   4.11  16.67) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.20 +/- 0.98   0.001% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.17, residual support = 171.5:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.01  99.855% * 99.5300% (0.80  10.0   5.17 171.45) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99  10.02 +/- 1.05   0.078% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  14.96 +/- 1.68   0.008% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.62 +/- 0.25   0.043% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  17.78 +/- 0.74   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.44 +/- 0.93   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.81 +/- 1.00   0.010% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  20.59 +/- 0.59   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  27.01 +/- 3.71   0.000% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.95 +/- 0.77   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.37 +/- 0.80   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  22.79 +/- 4.97   0.001% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.82 +/- 2.34   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.01 +/- 0.56   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   3.33 +/- 0.53  85.975% * 99.9864% (1.00 10.00   3.61  14.94) =  99.998%  kept
          HN    LEU   40 - HN    GLU- 100   4.94 +/- 0.55  14.025% *  0.0136% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.6:
      O   HA    LYS+  99 - HN    GLU- 100   2.18 +/- 0.00  76.769% * 99.5956% (0.99  10.0   6.83  39.57) =  99.994%  kept
          HA    LEU   40 - HN    GLU- 100   2.89 +/- 0.72  23.024% *  0.0199% (0.20   1.0   0.02   0.02) =   0.006%
          HA    ASN   35 - HN    GLU- 100   6.63 +/- 0.99   0.206% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  15.96 +/- 2.12   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  22.47 +/- 0.64   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.25 +/- 0.85   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.48 +/- 0.90   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   2.08 +/- 0.37  99.907% * 98.8196% (0.95   3.12  12.48) = 100.000%  kept
          HN    THR   39 - HN    GLY  101   7.86 +/- 0.63   0.060% *  0.2514% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.11 +/- 1.03   0.013% *  0.5364% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.50 +/- 0.44   0.020% *  0.1173% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  25.27 +/- 2.70   0.000% *  0.2754% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.891, residual support = 1.77:
          HN    LYS+  99 - HN    LYS+ 102   2.72 +/- 0.52  99.865% * 94.8274% (0.98   0.89   1.77) =  99.998%  kept
          HE1   HIS  122 - HN    LYS+ 102  12.37 +/- 3.98   0.068% *  2.0535% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  10.30 +/- 1.30   0.061% *  0.3349% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  14.58 +/- 1.47   0.006% *  0.5413% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.51 +/- 1.20   0.000% *  1.8132% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  27.80 +/- 3.27   0.000% *  0.4296% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 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   2.08 +/- 0.37  99.977% * 99.9864% (1.00 10.00   3.12  12.48) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.03 +/- 0.47   0.023% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 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   3.33 +/- 0.53 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.10 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 = 0.98, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   4.08 +/- 0.54  82.014% * 87.6966% (0.99   1.43   1.41) =  98.626%  kept
          HA    LEU   40 - HN    GLY  101   5.71 +/- 0.75  12.395% *  7.5669% (0.20   0.62   0.02) =   1.286%  kept
          HA    ASN   35 - HN    GLY  101   7.02 +/- 1.13   5.564% *  1.1427% (0.92   0.02   0.02) =   0.087%
          HA    LEU  123 - HN    GLY  101  17.87 +/- 1.91   0.019% *  0.9912% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.64 +/- 0.87   0.002% *  1.1102% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  24.99 +/- 0.86   0.002% *  1.1102% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  20.86 +/- 0.87   0.005% *  0.3821% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.63 +/- 0.25  99.867% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.28 +/- 0.86   0.119% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.43 +/- 1.58   0.011% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.69 +/- 1.54   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.10 +/- 0.75   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.23 +/- 1.09   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  19.84 +/- 1.98   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.61 +/- 0.92   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 6.75, residual support = 37.9:
          HN    LEU  104 - HN    ILE  103   4.53 +/- 0.06  99.956% * 99.4068% (0.49   6.75  37.93) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.47 +/- 0.40   0.044% *  0.5932% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.2:
      O   HA    LYS+ 102 - HN    ILE  103   2.23 +/- 0.06  99.999% * 99.7796% (0.97  10.0   5.97  22.16) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.44 +/- 0.98   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.98 +/- 0.79   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.26 +/- 0.70   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  26.78 +/- 1.29   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  30.41 +/- 0.51   0.000% *  0.0503% (0.49   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 = 7.03, residual support = 138.4:
      O   HA    ILE  103 - HN    ILE  103   2.86 +/- 0.03  99.982% * 99.2916% (0.98  10.0   7.03 138.43) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.03 +/- 0.50   0.012% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  15.02 +/- 0.50   0.005% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  24.18 +/- 1.24   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.89 +/- 0.71   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  28.34 +/- 3.37   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  27.46 +/- 2.00   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  29.09 +/- 1.06   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  26.68 +/- 4.25   0.000% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  33.52 +/- 2.03   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.95 +/- 0.90   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  31.36 +/- 1.67   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 = 7.12, residual support = 39.5:
        T HN    ASP- 105 - HN    LEU  104   2.20 +/- 0.10 100.000% * 99.9802% (1.00 10.00   7.12  39.54) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  26.49 +/- 2.27   0.000% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.89, residual support = 6.08:
          HA    LEU   98 - HN    LEU  104   3.09 +/- 0.64 100.000% *100.0000% (0.80   2.89   6.08) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 37.9:
      O   HA    ILE  103 - HN    LEU  104   2.20 +/- 0.02  99.992% * 99.2645% (0.95  10.0   6.61  37.93) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  12.37 +/- 0.34   0.003% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  11.77 +/- 0.58   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  22.53 +/- 1.15   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.20 +/- 0.63   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  28.02 +/- 3.07   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  26.10 +/- 1.50   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  26.78 +/- 4.03   0.000% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.35 +/- 0.85   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.16 +/- 0.96   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  31.61 +/- 1.79   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  29.16 +/- 1.54   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 = 4.57, residual support = 57.0:
        T HN    PHE   97 - HN    ASP- 105   3.62 +/- 0.55  99.894% * 99.7623% (0.73 10.00   4.57  56.95) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.50 +/- 0.49   0.086% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.49 +/- 0.92   0.020% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  30.37 +/- 1.45   0.000% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 2 structures by 0.13 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.12, residual support = 39.5:
        T HN    LEU  104 - HN    ASP- 105   2.20 +/- 0.10  99.999% * 99.9822% (0.87 10.00   7.12  39.54) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.19 +/- 0.51   0.001% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 135.8:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.02 100.000% *100.0000% (0.95  10.0   5.18 135.77) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 22.9:
      O   HA    ASP- 105 - HN    LYS+ 106   2.58 +/- 0.12  99.999% * 99.6913% (0.92  10.0   3.49  22.95) = 100.000%  kept
          HA    THR   23 - HN    LYS+ 106  20.22 +/- 1.32   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  22.27 +/- 1.59   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  24.93 +/- 3.38   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  23.97 +/- 1.39   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 = 4.39, residual support = 42.8:
      O   HA    ASP- 105 - HN    ASP- 105   2.81 +/- 0.05  99.998% * 99.6913% (0.92  10.0   4.39  42.77) = 100.000%  kept
          HA    THR   23 - HN    ASP- 105  19.60 +/- 1.48   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  21.70 +/- 1.65   0.001% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ASP- 105  25.59 +/- 3.50   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  25.31 +/- 1.20   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 = 0.387, support = 5.91, residual support = 34.2:
      O   HA    LEU  104 - HN    ASP- 105   3.60 +/- 0.03  62.091% * 76.6346% (0.34  10.0   6.41  39.54) =  85.140%  kept
          HA    ILE  103 - HN    ASP- 105   3.92 +/- 0.17  37.816% * 21.9616% (0.65   1.0   3.02   3.92) =  14.860%  kept
          HA    ASP-  44 - HN    ASP- 105  11.45 +/- 0.34   0.061% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.23 +/- 0.60   0.027% *  0.0500% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  21.58 +/- 1.23   0.001% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  26.34 +/- 4.11   0.001% *  0.1799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.67 +/- 0.87   0.001% *  0.1631% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  27.35 +/- 3.00   0.000% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.74 +/- 1.42   0.000% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  25.62 +/- 1.44   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  32.36 +/- 1.64   0.000% *  0.1949% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.47 +/- 0.96   0.001% *  0.0347% (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 = 2.46:
          QD    PHE   97 - HN    VAL  107   4.33 +/- 0.80  99.951% * 98.5222% (0.87   1.50   2.46) = 100.000%  kept
          HZ3   TRP   87 - HN    VAL  107  22.31 +/- 3.84   0.023% *  1.2126% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    VAL  107  19.63 +/- 1.32   0.026% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 3 structures by 0.27 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   2.22 +/- 0.06 100.000% *100.0000% (0.98  10.0   4.58  26.77) = 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 = 58.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.756% * 99.7406% (0.95  10.0   3.66  58.22) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.42 +/- 1.11   0.227% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  14.67 +/- 0.38   0.006% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.88 +/- 0.56   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.58 +/- 1.15   0.007% *  0.0360% (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 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.79, residual support = 57.0:
          QD    PHE   97 - HN    ASP- 105   3.82 +/- 0.65  99.996% * 99.6131% (0.87   5.79  56.95) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  25.44 +/- 4.27   0.002% *  0.3175% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.84 +/- 1.16   0.002% *  0.0694% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.262, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.03 +/- 1.02  95.169% * 19.2756% (0.26   0.02   0.02) =  93.642%  kept
          HA    MET   92 - HN    GLY  109   6.80 +/- 0.97   4.760% * 25.3346% (0.34   0.02   0.02) =   6.156%  kept
          HA    LYS+  74 - HN    GLY  109  14.20 +/- 1.13   0.071% * 55.3898% (0.74   0.02   0.02) =   0.202%
    Distance limit 4.36 A violated in 2 structures by 0.24 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 = 0.516, support = 2.21, residual support = 8.32:
      O   HA    VAL  108 - HN    GLY  109   2.25 +/- 0.03  72.005% * 31.6430% (0.34  10.0   2.33   7.45) =  54.448%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.69 +/- 0.29  27.986% * 68.1141% (0.73  10.0   2.07   9.35) =  45.552%  kept
          HA    CYS   50 - HN    GLY  109  12.30 +/- 2.08   0.004% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.06 +/- 1.63   0.004% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.30 +/- 1.96   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.48 +/- 0.98   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.40 +/- 0.56   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 = 9.13:
          HN    LYS+ 111 - HN    ALA  110   3.10 +/- 0.54  99.562% * 97.3113% (0.90   3.04   9.13) =  99.997%  kept
          HN    ILE   56 - HN    ALA  110   8.30 +/- 2.36   0.402% *  0.6989% (0.98   0.02   5.27) =   0.003%
          HN    LEU   63 - HN    ALA  110  13.87 +/- 2.10   0.013% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  18.59 +/- 2.79   0.006% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  19.78 +/- 4.79   0.015% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  21.34 +/- 1.82   0.002% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.98 +/- 2.42   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.31 +/- 0.33  60.679% * 93.8842% (0.69  10.0   2.07   6.40) =  96.179%  kept
          HA    VAL  108 - HN    ALA  110   3.90 +/- 1.01  39.187% *  5.7754% (0.80   1.0   1.06   0.02) =   3.821%  kept
          HA    CYS   50 - HN    ALA  110  11.62 +/- 2.41   0.086% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  12.13 +/- 2.21   0.039% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.72 +/- 2.33   0.008% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.28 +/- 1.82   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.33 +/- 0.21  99.456% * 98.1886% (0.18  10.0   2.74   9.59) =  99.998%  kept
          HA    VAL  107 - HN    ALA  110   6.55 +/- 0.75   0.240% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA  110   8.56 +/- 2.18   0.291% *  0.1912% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    ALA  110  10.83 +/- 1.23   0.012% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.30 +/- 1.90   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 = 5.34, residual support = 28.0:
        T HN    LYS+ 112 - HN    LYS+ 111   4.22 +/- 0.28  99.868% * 99.8172% (0.99 10.00   5.34  27.98) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  13.85 +/- 1.70   0.100% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  18.99 +/- 1.50   0.014% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.37 +/- 1.98   0.018% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.89 +/- 2.38   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.21 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.13:
        T HN    ALA  110 - HN    LYS+ 111   3.10 +/- 0.54  99.950% * 99.9053% (1.00 10.00   3.04   9.13) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.19 +/- 1.68   0.050% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.813, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.65 +/- 1.73  46.439% * 58.2608% (1.00   0.02   0.02) =  71.045%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.16 +/- 1.34  34.364% * 19.8732% (0.34   0.02   0.02) =  17.933%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.31 +/- 1.25  19.197% * 21.8659% (0.38   0.02   0.02) =  11.023%  kept
    Distance limit 4.43 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.13:
      O   HA    ALA  110 - HN    LYS+ 111   2.98 +/- 0.12  97.465% * 99.3312% (0.45  10.0   3.04   9.13) =  99.995%  kept
          HA    VAL  107 - HN    LYS+ 111   5.91 +/- 1.26   2.445% *  0.2138% (0.97   1.0   0.02   0.02) =   0.005%
          HA    PHE   55 - HN    LYS+ 111  10.47 +/- 1.21   0.070% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LYS+ 111  13.22 +/- 1.19   0.015% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.37 +/- 1.32   0.004% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.01 +/- 1.55   0.001% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.0:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.38 +/- 0.28  99.941% * 99.8075% (0.53  10.0   7.10  27.98) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.06 +/- 0.83   0.056% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  15.98 +/- 1.68   0.002% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.09, residual support = 21.4:
        T HN    GLU- 114 - HN    ASP- 113   2.53 +/- 0.16  97.260% * 99.7300% (0.81 10.00   4.09  21.37) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.70 +/- 0.22   2.599% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.89 +/- 0.53   0.132% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.02 +/- 0.76   0.009% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.24 +/- 0.65   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.09, residual support = 21.4:
        T HN    ASP- 113 - HN    GLU- 114   2.53 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.09  21.37) = 100.000%  kept
    Distance limit 3.03 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 = 44.0:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.04  97.205% * 99.6055% (0.97  10.0   3.62  43.95) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.12   2.779% *  0.0543% (0.53   1.0   0.02  15.36) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.36 +/- 0.99   0.015% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.42 +/- 0.93   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.77 +/- 1.03   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.55 +/- 0.89   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.60 +/- 1.11   0.000% *  0.0502% (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 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 4.0:
          HA    LYS+ 111 - HN    ASP- 113   3.62 +/- 0.46  99.453% * 99.1965% (0.74   2.18   4.00) =  99.998%  kept
          HA    VAL  108 - HN    ASP- 113   9.98 +/- 0.56   0.351% *  0.2617% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  11.15 +/- 1.06   0.187% *  0.3580% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.33 +/- 1.47   0.009% *  0.1838% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.42, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.81 +/- 0.05  99.843% * 99.6702% (0.85  10.0   3.42  14.27) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   8.96 +/- 0.86   0.116% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.86 +/- 1.26   0.039% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.19 +/- 0.37   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.73 +/- 0.74   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  25.51 +/- 3.55   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.46 +/- 1.01   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 7.46, residual support = 83.9:
        T HN    GLN  116 - HN    LEU  115   2.76 +/- 0.11  38.278% * 85.3127% (0.99 10.00   8.06 102.33) =  78.860%  kept
          HN    GLU- 114 - HN    LEU  115   2.55 +/- 0.13  60.352% * 14.5029% (0.65  1.00   5.21  15.36) =  21.137%  kept
          HN    THR  118 - HN    LEU  115   4.88 +/- 0.33   1.347% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.64 +/- 0.68   0.023% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.64 +/- 0.78   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.78 +/- 1.12   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 = 102.3:
        T HN    LEU  115 - HN    GLN  116   2.76 +/- 0.11  99.991% * 99.8619% (0.98 10.00   8.06 102.33) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.25 +/- 0.90   0.009% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.05 +/- 1.22   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 = 5.67, residual support = 28.5:
        T HN    SER  117 - HN    GLN  116   2.64 +/- 0.14 100.000% * 99.8966% (0.97 10.00   5.67  28.53) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.14 +/- 1.12   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  28.43 +/- 2.93   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 = 0.971, support = 4.47, residual support = 18.4:
        T HN    GLN  116 - HN    SER  117   2.64 +/- 0.14  54.183% * 50.9371% (0.99 10.00   5.67  28.53) =  56.258%  kept
        T HN    THR  118 - HN    SER  117   2.73 +/- 0.20  44.140% * 48.6147% (0.95 10.00   2.93   5.45) =  43.741%  kept
          HN    GLU- 114 - HN    SER  117   4.72 +/- 0.27   1.668% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.16 +/- 0.43   0.009% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.31 +/- 0.88   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.64 +/- 1.15   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 = 2.6, residual support = 124.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.996% * 99.8133% (0.95  10.0   2.60 124.16) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.86 +/- 1.37   0.004% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.27 +/- 1.72   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.58 +/- 2.63   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 2.6, residual support = 124.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.846% * 99.7477% (0.90  10.0 10.00   2.60 124.16) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.78 +/- 1.09   0.144% *  0.1090% (0.98   1.0  1.00   0.02   0.21) =   0.000%
          HN    ALA  124 - HE22  GLN  116   9.08 +/- 1.54   0.008% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.61 +/- 2.32   0.001% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  29.40 +/- 3.03   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 = 0.749, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.79 +/- 0.27  95.768% * 91.8913% (1.00   0.75   1.50) =  99.929%  kept
          HA    PHE   59 - HN    GLN  116   7.41 +/- 1.12   2.694% *  1.4896% (0.61   0.02   0.59) =   0.046%
          HA    ILE   56 - HN    GLN  116   7.87 +/- 0.57   1.453% *  1.4896% (0.61   0.02   0.02) =   0.025%
          HA    LEU  123 - HN    GLN  116  12.68 +/- 0.52   0.077% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.15 +/- 0.70   0.006% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  27.11 +/- 0.94   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  26.66 +/- 3.06   0.001% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 7.02, residual support = 124.2:
      O   HA    GLN  116 - HN    GLN  116   2.78 +/- 0.06  99.996% * 99.5202% (1.00  10.0   7.02 124.16) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.41 +/- 0.89   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.59 +/- 0.70   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.39 +/- 1.68   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.61 +/- 1.27   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.21 +/- 1.24   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.26 +/- 0.83   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  29.57 +/- 3.86   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.76 +/- 0.69   0.000% *  0.0723% (0.73   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 = 0.954, support = 7.27, residual support = 201.8:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.03  82.047% * 60.5049% (1.00  10.0   7.61 228.25) =  87.582%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.04  17.943% * 39.2280% (0.65  10.0   4.91  15.36) =  12.418%  kept
          HA    ARG+  54 - HN    LEU  115  13.50 +/- 0.65   0.006% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  15.94 +/- 0.81   0.002% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  21.96 +/- 0.76   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.80 +/- 0.90   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.73 +/- 0.85   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  25.13 +/- 2.02   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.53 +/- 0.78   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 = 3.59, residual support = 16.3:
      O   HA    SER  117 - HN    SER  117   2.78 +/- 0.04  99.991% * 99.4282% (0.38  10.0   3.59  16.28) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.60 +/- 1.14   0.009% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  27.55 +/- 0.77   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  30.75 +/- 3.58   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 = 5.57, residual support = 55.1:
        T HN    ILE  119 - HN    ALA  120   2.49 +/- 0.07 100.000% * 99.2864% (0.83 10.00   5.57  55.06) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.75 +/- 0.74   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.25 +/- 1.47   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  28.10 +/- 1.96   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 = 6.71, residual support = 52.8:
          HN    HIS  122 - HN    LYS+ 121   2.80 +/- 0.16  99.131% * 99.4521% (0.80   6.71  52.82) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.62 +/- 0.64   0.853% *  0.0740% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.27 +/- 0.51   0.016% *  0.1799% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  30.84 +/- 4.65   0.000% *  0.2940% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 6.21, residual support = 39.2:
          HN    LEU  123 - HN    HIS  122   2.48 +/- 0.28  97.729% * 99.6027% (0.26   6.21  39.18) =  99.997%  kept
          HN    ALA  124 - HN    HIS  122   4.77 +/- 0.61   2.270% *  0.1102% (0.09   0.02   0.02) =   0.003%
          HE21  GLN   17 - HN    HIS  122  21.26 +/- 1.45   0.000% *  0.1507% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  26.45 +/- 1.16   0.000% *  0.1364% (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 = 6.21, residual support = 39.2:
          HN    HIS  122 - HN    LEU  123   2.48 +/- 0.28  99.885% * 99.1809% (0.87   6.21  39.18) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.31 +/- 1.06   0.110% *  0.1938% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.20 +/- 0.76   0.005% *  0.3304% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  32.82 +/- 4.70   0.000% *  0.2950% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 4.33, residual support = 11.7:
      O   HA    LEU  123 - HN    ALA  124   3.60 +/- 0.04  99.884% * 99.5133% (1.00  10.0   4.33  11.67) = 100.000%  kept
          HA    ASP- 113 - HN    ALA  124  13.59 +/- 0.78   0.037% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  15.49 +/- 1.84   0.022% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  16.34 +/- 1.03   0.013% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.73 +/- 2.10   0.024% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.90 +/- 0.87   0.014% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.54 +/- 2.32   0.002% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.57 +/- 1.97   0.004% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  26.53 +/- 2.01   0.001% *  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 = 9.18:
      O   HA    ALA  124 - HN    ALA  124   2.77 +/- 0.20  99.981% * 99.5713% (1.00  10.0   1.80   9.18) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  12.05 +/- 0.57   0.016% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.11 +/- 1.13   0.000% *  0.1069% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  21.67 +/- 2.32   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  26.07 +/- 2.51   0.000% *  0.0761% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  20.66 +/- 1.56   0.001% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  26.91 +/- 1.75   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  34.55 +/- 2.02   0.000% *  0.0887% (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 = 4.92, residual support = 39.2:
      O   HA    HIS  122 - HN    LEU  123   3.30 +/- 0.21  99.978% * 99.8702% (1.00  10.0   4.92  39.18) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.20 +/- 1.80   0.019% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.33 +/- 1.17   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.93 +/- 1.27   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 6.19, residual support = 203.8:
      O   HA    LEU  123 - HN    LEU  123   2.91 +/- 0.05  99.942% * 99.5133% (1.00  10.0   6.19 203.83) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  13.34 +/- 1.62   0.015% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.47 +/- 1.86   0.017% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.45 +/- 0.52   0.011% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.00 +/- 0.93   0.006% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.60 +/- 0.75   0.007% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.44 +/- 2.07   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.68 +/- 1.53   0.002% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.79 +/- 1.52   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 = 6.53, residual support = 74.2:
          HD2   HIS  122 - HN    HIS  122   2.74 +/- 0.33  99.883% * 97.1529% (0.11   6.53  74.17) = 100.000%  kept
          HE22  GLN  116 - HN    HIS  122   9.51 +/- 1.26   0.116% *  0.3289% (0.12   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    HIS  122  20.99 +/- 1.68   0.001% *  0.9451% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.83 +/- 1.13   0.000% *  0.8363% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  31.40 +/- 1.21   0.000% *  0.7368% (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 = 5.14, residual support = 74.2:
      O   HA    HIS  122 - HN    HIS  122   2.87 +/- 0.05  99.987% * 99.8131% (0.30  10.0   5.14  74.17) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.60 +/- 1.21   0.011% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.40 +/- 0.77   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.562, support = 5.56, residual support = 234.3:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.04  80.496% * 38.4533% (0.49  10.0   6.38 317.30) =  73.737%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.53 +/- 0.01  18.018% * 61.1842% (0.77  10.0   3.28   1.31) =  26.262%  kept
          QB    SER  117 - HN    LYS+ 121   5.47 +/- 0.44   1.479% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.44 +/- 0.81   0.003% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.94 +/- 0.61   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.65 +/- 1.10   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.75 +/- 1.44   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.51 +/- 0.84   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.82 +/- 1.01   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  29.63 +/- 3.09   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.67 +/- 1.36   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  30.43 +/- 1.67   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 = 13.6:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.05  94.893% * 99.2369% (0.74  10.0   3.61  13.63) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.12 +/- 0.14   2.513% *  0.0465% (0.35   1.0   0.02   1.31) =   0.001%
          QB    SER  117 - HN    ALA  120   5.12 +/- 0.22   2.584% *  0.0168% (0.12   1.0   0.02   5.49) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.90 +/- 0.92   0.004% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.43 +/- 1.26   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.97 +/- 0.59   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.51 +/- 1.05   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.90 +/- 1.67   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.88 +/- 0.95   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  29.48 +/- 2.70   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.08 +/- 1.88   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.29 +/- 1.24   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  30.12 +/- 1.47   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.335, support = 3.48, residual support = 124.2:
      O   HG3   GLN  116 - HE22  GLN  116   3.79 +/- 0.49  40.534% * 62.0774% (0.41  10.0   3.23 124.16) =  52.925%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.53 +/- 0.44  59.441% * 37.6518% (0.25  10.0   3.75 124.16) =  47.075%  kept
          HB3   PHE   95 - HE22  GLN  116  13.44 +/- 1.30   0.024% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  28.68 +/- 3.71   0.000% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  33.16 +/- 1.82   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 = 4.34, residual support = 11.7:
          HB2   LEU  123 - HN    ALA  124   2.34 +/- 0.66  98.975% * 96.3217% (0.76   4.34  11.67) =  99.995%  kept
          HB2   LYS+ 121 - HN    ALA  124   6.45 +/- 0.23   1.005% *  0.4221% (0.73   0.02   0.02) =   0.004%
          QD    LYS+  65 - HN    ALA  124  14.75 +/- 1.19   0.009% *  0.4443% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  18.21 +/- 2.51   0.003% *  0.5499% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  17.41 +/- 1.35   0.003% *  0.5499% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  18.67 +/- 1.21   0.002% *  0.2830% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  21.48 +/- 1.53   0.001% *  0.4655% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.16 +/- 1.64   0.001% *  0.1450% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.79 +/- 2.00   0.001% *  0.1150% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  23.59 +/- 1.13   0.000% *  0.2182% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  31.93 +/- 3.27   0.000% *  0.4855% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.18:
      O   QB    ALA  124 - HN    ALA  124   2.29 +/- 0.31  99.986% * 98.5456% (0.65  10.0   1.80   9.18) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.45 +/- 1.25   0.006% *  0.0634% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.99 +/- 1.77   0.002% *  0.0957% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  15.54 +/- 0.85   0.001% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  16.70 +/- 1.11   0.001% *  0.1292% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.83 +/- 1.37   0.001% *  0.0957% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  17.83 +/- 1.43   0.001% *  0.1292% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  18.71 +/- 1.74   0.000% *  0.1161% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  19.63 +/- 1.27   0.000% *  0.1516% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.41 +/- 1.37   0.001% *  0.0823% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.80 +/- 1.83   0.000% *  0.1094% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.88 +/- 2.78   0.000% *  0.0823% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  28.01 +/- 1.58   0.000% *  0.1466% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  25.17 +/- 1.68   0.000% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.14 +/- 1.96   0.000% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  32.59 +/- 3.80   0.000% *  0.0470% (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 = 0.975, support = 5.14, residual support = 24.7:
          HA    ALA  120 - HN    LEU  123   3.06 +/- 0.25  76.465% * 71.3272% (0.99   5.46  27.31) =  89.553%  kept
          HA    LYS+ 121 - HN    LEU  123   3.89 +/- 0.48  23.369% * 27.2263% (0.84   2.47   2.47) =  10.447%  kept
          QB    SER  117 - HN    LEU  123   8.77 +/- 0.41   0.149% *  0.1284% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.69 +/- 0.98   0.011% *  0.1812% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.54 +/- 1.43   0.004% *  0.2016% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.17 +/- 1.04   0.001% *  0.2366% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  24.97 +/- 1.88   0.000% *  0.2546% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.25 +/- 0.99   0.000% *  0.2016% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  31.37 +/- 3.10   0.000% *  0.2016% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.85 +/- 1.14   0.000% *  0.0407% (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 = 5.33, residual support = 38.2:
          HB3   HIS  122 - HN    LEU  123   3.92 +/- 0.54  89.560% * 80.2209% (0.99   5.43  39.18) =  97.244%  kept
          QE    LYS+ 121 - HN    LEU  123   6.33 +/- 0.88  10.435% * 19.5107% (0.76   1.71   2.47) =   2.756%  kept
          HG2   GLN   30 - HN    LEU  123  23.24 +/- 1.76   0.003% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.07 +/- 1.27   0.001% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  26.89 +/- 1.68   0.001% *  0.0404% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 203.8:
          HG    LEU  123 - HN    LEU  123   3.60 +/- 0.25  96.438% * 96.8041% (0.76   5.82 203.83) =  99.993%  kept
          HG3   PRO   68 - HN    LEU  123  11.98 +/- 2.55   0.626% *  0.3776% (0.87   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123   8.88 +/- 0.99   0.628% *  0.3327% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU  123   7.36 +/- 1.30   2.186% *  0.0862% (0.20   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    LEU  123  12.81 +/- 1.01   0.055% *  0.1952% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.06 +/- 1.16   0.014% *  0.3636% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.20 +/- 1.09   0.013% *  0.2119% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.40 +/- 1.77   0.014% *  0.1485% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  16.13 +/- 2.05   0.018% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.61 +/- 1.83   0.003% *  0.2816% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.34 +/- 1.50   0.003% *  0.3327% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.56 +/- 1.32   0.002% *  0.3486% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  29.75 +/- 1.16   0.000% *  0.2465% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  30.70 +/- 1.99   0.000% *  0.2119% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.17, residual support = 203.8:
      O   HB2   LEU  123 - HN    LEU  123   2.51 +/- 0.19  98.129% * 99.1788% (0.76  10.0   6.18 203.83) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   4.92 +/- 0.25   1.858% *  0.0942% (0.73   1.0   0.02   2.47) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.55 +/- 1.00   0.005% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  16.71 +/- 2.35   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  15.95 +/- 1.25   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.91 +/- 1.24   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.86 +/- 1.48   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.68 +/- 1.59   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.56 +/- 1.97   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.82 +/- 1.22   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  29.72 +/- 3.25   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.89, support = 6.69, residual support = 203.8:
          QD1   LEU  123 - HN    LEU  123   2.55 +/- 0.47  93.841% * 85.1630% (0.90   6.70 203.83) =  99.115%  kept
          QD2   LEU  123 - HN    LEU  123   4.30 +/- 0.25   5.120% * 13.9023% (0.15   6.35 203.83) =   0.883%  kept
          QG1   VAL   70 - HN    LEU  123   8.88 +/- 1.75   0.659% *  0.1948% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    LEU  123   9.22 +/- 1.28   0.228% *  0.2811% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU  123   9.42 +/- 1.35   0.144% *  0.0438% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  15.64 +/- 1.40   0.005% *  0.2544% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.32 +/- 1.29   0.004% *  0.1606% (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 = 5.42, residual support = 39.2:
          HB2   HIS  122 - HN    LEU  123   4.24 +/- 0.37  99.916% * 99.3424% (1.00   5.42  39.18) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.19 +/- 0.69   0.075% *  0.3288% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  20.66 +/- 1.86   0.008% *  0.3288% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.228, support = 6.96, residual support = 42.0:
      O   HA    LYS+ 121 - HN    HIS  122   3.58 +/- 0.06  65.211% * 65.8983% (0.20  10.0   7.20  52.82) =  79.058%  kept
          HA    ALA  120 - HN    HIS  122   4.04 +/- 0.39  34.043% * 33.4366% (0.33   1.0   6.07   1.26) =  20.941%  kept
          QB    SER  117 - HN    HIS  122   7.72 +/- 0.37   0.700% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.46 +/- 0.96   0.027% *  0.1074% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.40 +/- 1.12   0.008% *  0.1123% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.99 +/- 0.73   0.006% *  0.0753% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  23.53 +/- 1.47   0.001% *  0.0890% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.30 +/- 1.06   0.001% *  0.0397% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.97 +/- 0.76   0.001% *  0.0567% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  29.55 +/- 3.10   0.000% *  0.1123% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.79 +/- 1.39   0.001% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  30.61 +/- 1.82   0.000% *  0.0204% (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 = 0.263, support = 4.4, residual support = 12.1:
          HA    ILE  119 - HN    HIS  122   3.64 +/- 0.33  85.104% * 53.5158% (0.27   4.36  13.36) =  87.012%  kept
          HA    THR  118 - HN    HIS  122   5.02 +/- 0.26  14.860% * 45.7493% (0.21   4.69   3.84) =  12.988%  kept
          HD3   PRO   58 - HN    HIS  122  14.40 +/- 0.46   0.024% *  0.0894% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.39 +/- 0.92   0.008% *  0.0992% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.67 +/- 0.87   0.002% *  0.1691% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.60 +/- 1.08   0.000% *  0.2208% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  28.48 +/- 2.19   0.000% *  0.1564% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 5.87, residual support = 74.2:
      O   HB2   HIS  122 - HN    HIS  122   3.51 +/- 0.35  98.562% * 99.5910% (0.11  10.0   5.87  74.17) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.52 +/- 0.78   1.395% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.05 +/- 0.57   0.042% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.23 +/- 1.13   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.324, support = 6.14, residual support = 73.8:
      O   HB3   HIS  122 - HN    HIS  122   2.71 +/- 0.38  92.664% * 82.7833% (0.33  10.0   6.14  74.17) =  98.387%  kept
          QE    LYS+ 121 - HN    HIS  122   5.21 +/- 0.97   7.335% * 17.1430% (0.21   1.0   6.30  52.82) =   1.613%  kept
          HG2   GLN   30 - HN    HIS  122  21.73 +/- 1.19   0.000% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  27.37 +/- 1.15   0.000% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.325, support = 7.31, residual support = 52.1:
          HB2   LYS+ 121 - HN    HIS  122   3.06 +/- 0.30  86.408% * 72.2911% (0.33   7.43  52.82) =  94.548%  kept
          HB2   LEU  123 - HN    HIS  122   4.41 +/- 0.43  13.538% * 26.6050% (0.17   5.31  39.18) =   5.452%  kept
          QD    LYS+  65 - HN    HIS  122  13.49 +/- 1.05   0.014% *  0.1986% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  16.04 +/- 1.98   0.008% *  0.2040% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  14.61 +/- 1.04   0.009% *  0.1494% (0.26   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.60 +/- 0.40   0.008% *  0.0360% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  18.13 +/- 1.33   0.002% *  0.1083% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.04 +/- 1.72   0.003% *  0.0846% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.44 +/- 1.33   0.004% *  0.0513% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.56 +/- 1.38   0.004% *  0.0318% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  27.74 +/- 3.31   0.000% *  0.2040% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.81 +/- 0.96   0.001% *  0.0360% (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 = 0.305, support = 6.55, residual support = 52.8:
          HB3   LYS+ 121 - HN    HIS  122   3.61 +/- 0.43  63.258% * 67.3533% (0.35   6.39  52.82) =  79.152%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.09 +/- 1.07  35.416% * 31.6793% (0.15   7.17  52.82) =  20.843%  kept
          QD    LYS+  66 - HN    HIS  122   8.46 +/- 1.96   0.998% *  0.1722% (0.28   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    HIS  122   9.45 +/- 1.07   0.284% *  0.2108% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  13.97 +/- 1.41   0.020% *  0.1985% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.01 +/- 1.13   0.016% *  0.0734% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.13 +/- 1.33   0.004% *  0.1929% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.16 +/- 0.83   0.002% *  0.0598% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  22.71 +/- 2.38   0.001% *  0.0598% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.32, residual support = 39.2:
          QD1   LEU  123 - HN    HIS  122   3.16 +/- 0.44  96.252% * 98.4896% (0.31   6.32  39.18) =  99.990%  kept
          HB3   LEU  104 - HN    HIS  122   7.56 +/- 1.00   2.010% *  0.1890% (0.19   0.02   0.02) =   0.004%
          QG1   VAL   70 - HN    HIS  122   8.25 +/- 1.21   1.058% *  0.3561% (0.35   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    HIS  122   8.09 +/- 0.95   0.630% *  0.2324% (0.23   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    HIS  122  14.17 +/- 1.05   0.017% *  0.3584% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  14.66 +/- 0.91   0.015% *  0.3116% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.13 +/- 0.74   0.018% *  0.0629% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.537, support = 2.75, residual support = 6.76:
          HA    THR  118 - HN    LYS+ 121   3.36 +/- 0.13  71.593% * 36.5681% (0.49   2.41   9.38) =  59.688%  kept
          HA    ILE  119 - HN    LYS+ 121   3.95 +/- 0.17  28.387% * 62.2876% (0.61   3.26   2.88) =  40.312%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.26 +/- 0.58   0.013% *  0.1391% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.08 +/- 0.97   0.006% *  0.1545% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.69 +/- 0.75   0.001% *  0.2633% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  27.40 +/- 0.96   0.000% *  0.3438% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  28.56 +/- 2.08   0.000% *  0.2436% (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 = 6.89, residual support = 317.3:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.14 +/- 0.12  99.123% * 99.3852% (0.76  10.0   6.89 317.30) = 100.000%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.91 +/- 0.52   0.871% *  0.0511% (0.39   1.0   0.02   2.47) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.94 +/- 1.08   0.001% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  15.26 +/- 1.25   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  17.85 +/- 1.94   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.53 +/- 1.25   0.001% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.54 +/- 1.57   0.000% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.69 +/- 1.29   0.001% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.79 +/- 0.45   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.24 +/- 1.49   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.19 +/- 0.96   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  28.16 +/- 3.42   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.586, support = 5.61, residual support = 275.2:
          HD2   LYS+ 121 - HN    LYS+ 121   2.86 +/- 0.86  56.960% * 81.9336% (0.64   5.94 317.30) =  86.680%  kept
          QB    ALA  120 - HN    LYS+ 121   2.92 +/- 0.06  42.941% * 16.7008% (0.22   3.49   1.31) =  13.320%  kept
          QD    LYS+  66 - HN    LYS+ 121  10.04 +/- 1.86   0.048% *  0.1416% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.58 +/- 0.62   0.042% *  0.0958% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.84 +/- 1.37   0.006% *  0.1677% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.69 +/- 1.15   0.002% *  0.2988% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.30 +/- 1.05   0.000% *  0.3437% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.64 +/- 0.69   0.000% *  0.3180% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.82, residual support = 317.3:
          HG2   LYS+ 121 - HN    LYS+ 121   3.97 +/- 0.27  92.701% * 99.0629% (0.77   5.82 317.30) =  99.990%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.22 +/- 0.34   1.333% *  0.3494% (0.79   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    LYS+ 121   6.32 +/- 0.24   5.905% *  0.0698% (0.16   0.02   2.88) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  14.02 +/- 0.65   0.053% *  0.2281% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.48 +/- 0.57   0.005% *  0.2281% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.51 +/- 1.44   0.003% *  0.0617% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.11 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.47:
          QD1   LEU  123 - HN    LYS+ 121   4.43 +/- 0.11  86.335% * 90.0536% (0.72   2.20   2.47) =  99.131%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.45 +/- 0.26   9.389% *  6.9424% (0.12   0.99   2.47) =   0.831%  kept
          HB3   LEU  104 - HN    LYS+ 121   8.27 +/- 1.01   2.594% *  0.9035% (0.79   0.02   0.02) =   0.030%
          QG1   VAL   70 - HN    LYS+ 121  10.39 +/- 1.17   0.684% *  0.6262% (0.55   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    LYS+ 121   9.72 +/- 0.89   0.916% *  0.1407% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LYS+ 121  16.56 +/- 0.79   0.033% *  0.8175% (0.72   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LYS+ 121  15.54 +/- 0.88   0.049% *  0.5161% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.21 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.1:
          HB    ILE  119 - HN    ALA  120   2.73 +/- 0.13  99.957% * 97.4730% (0.90   5.03  55.06) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.21 +/- 1.24   0.027% *  0.1221% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.26 +/- 0.47   0.005% *  0.3305% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  15.63 +/- 1.75   0.004% *  0.1774% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  16.66 +/- 1.86   0.003% *  0.2400% (0.56   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.11 +/- 1.02   0.001% *  0.3024% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  20.70 +/- 1.24   0.001% *  0.3948% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.80 +/- 1.09   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.54 +/- 0.98   0.000% *  0.3879% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.98 +/- 1.22   0.000% *  0.3743% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.67 +/- 0.89   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.98, residual support = 13.6:
      O   QB    ALA  120 - HN    ALA  120   2.08 +/- 0.08  98.623% * 99.1734% (0.49  10.0   3.98  13.63) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   4.70 +/- 0.97   1.310% *  0.0992% (0.49   1.0   0.02   1.31) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.89 +/- 0.63   0.040% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.42 +/- 1.77   0.022% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.35 +/- 1.28   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.84 +/- 1.37   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.65 +/- 2.25   0.003% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  20.11 +/- 0.98   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.16 +/- 0.65   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 = 55.1:
          QG2   ILE  119 - HN    ALA  120   2.88 +/- 0.32  99.783% * 96.6193% (0.49   5.63  55.06) =  99.999%  kept
          QD1   LEU   67 - HN    ALA  120  10.07 +/- 2.13   0.142% *  0.5220% (0.74   0.02   0.02) =   0.001%
          QD2   LEU   40 - HN    ALA  120  11.03 +/- 0.98   0.036% *  0.4982% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  11.80 +/- 0.47   0.026% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.26 +/- 0.82   0.008% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.85 +/- 1.14   0.003% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.80 +/- 1.09   0.001% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  21.04 +/- 1.19   0.001% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.95, residual support = 16.3:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.13  99.907% * 97.2780% (0.25  10.0   2.95  16.28) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.54 +/- 0.42   0.061% *  0.3690% (0.95   1.0   0.02   5.49) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.55 +/- 0.64   0.029% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  15.02 +/- 1.00   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.66 +/- 0.97   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.76 +/- 1.25   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.44 +/- 1.22   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.33 +/- 1.04   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.33 +/- 1.21   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  27.48 +/- 2.89   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  27.46 +/- 1.87   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  29.01 +/- 1.08   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.354, support = 5.49, residual support = 28.5:
          HG3   GLN  116 - HN    SER  117   5.07 +/- 0.58  33.377% * 69.3685% (0.49   5.36  28.53) =  54.208%  kept
          HG2   GLN  116 - HN    SER  117   4.51 +/- 0.98  65.902% * 29.6772% (0.20   5.64  28.53) =  45.790%  kept
          HB3   PHE   95 - HN    SER  117  10.31 +/- 0.90   0.716% *  0.1325% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  25.13 +/- 3.26   0.004% *  0.3009% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  30.39 +/- 1.24   0.001% *  0.5209% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.34 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 28.5:
          HB2   GLN  116 - HN    SER  117   3.28 +/- 0.33  99.863% * 98.7840% (0.97   4.94  28.53) = 100.000%  kept
          HB2   PRO   58 - HN    SER  117  11.44 +/- 1.60   0.078% *  0.3012% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    SER  117  12.03 +/- 1.18   0.057% *  0.4148% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.11 +/- 0.98   0.001% *  0.3720% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.78 +/- 1.56   0.001% *  0.1280% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.46, residual support = 124.2:
          HG2   GLN  116 - HN    GLN  116   3.24 +/- 0.43  99.788% * 99.4392% (0.73   7.46 124.16) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116   9.91 +/- 0.68   0.212% *  0.2941% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  29.93 +/- 1.19   0.000% *  0.2667% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 124.2:
      O   HB2   GLN  116 - HN    GLN  116   2.13 +/- 0.08  99.970% * 99.6757% (0.98  10.0   7.63 124.16) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116   9.38 +/- 1.77   0.028% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.00 +/- 1.09   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.37 +/- 0.67   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.53 +/- 1.56   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.88 +/- 0.90   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 = 97.8:
          HB2   LEU  115 - HN    GLN  116   3.27 +/- 0.52  86.432% * 69.0644% (0.80   7.51 102.33) =  95.597%  kept
          QB    GLU- 114 - HN    GLN  116   5.03 +/- 0.27   9.148% * 30.0321% (0.69   3.81   0.31) =   4.400%  kept
          HB2   LYS+ 111 - HN    GLN  116   5.96 +/- 0.69   4.192% *  0.0354% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116  10.02 +/- 1.34   0.205% *  0.1918% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  15.57 +/- 1.07   0.011% *  0.0944% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  20.01 +/- 1.59   0.002% *  0.1918% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.50 +/- 0.74   0.001% *  0.1755% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.77 +/- 1.31   0.005% *  0.0454% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.39 +/- 1.03   0.002% *  0.0454% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  21.52 +/- 1.00   0.001% *  0.0454% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  28.70 +/- 1.44   0.000% *  0.0783% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.12 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.812, support = 8.43, residual support = 102.3:
          HG    LEU  115 - HN    GLN  116   3.22 +/- 1.06  70.039% * 43.0150% (0.73   8.52 102.33) =  66.377%  kept
          HB3   LEU  115 - HN    GLN  116   4.05 +/- 0.17  27.109% * 56.2833% (0.98   8.25 102.33) =  33.617%  kept
          QB    ALA  120 - HN    GLN  116   6.45 +/- 0.70   2.768% *  0.1010% (0.73   0.02   0.21) =   0.006%
          QG    LYS+  66 - HN    GLN  116  11.67 +/- 1.44   0.055% *  0.0522% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  16.03 +/- 1.97   0.010% *  0.1391% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.67 +/- 0.88   0.005% *  0.1364% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.87 +/- 0.78   0.004% *  0.0677% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.39 +/- 1.22   0.002% *  0.0788% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.37 +/- 1.06   0.006% *  0.0310% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  21.81 +/- 1.90   0.002% *  0.0956% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 102.3:
          QD1   LEU  115 - HN    GLN  116   3.83 +/- 0.74  99.977% * 99.6305% (0.49   7.61 102.33) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.86 +/- 1.10   0.023% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 102.3:
          QD2   LEU  115 - HN    GLN  116   2.47 +/- 0.45  99.639% * 98.5891% (0.57  10.00 102.33) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.35 +/- 0.85   0.217% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   8.12 +/- 0.97   0.131% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  13.43 +/- 0.89   0.007% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.36 +/- 0.56   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  17.35 +/- 0.54   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.00 +/- 1.05   0.002% *  0.0537% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  21.91 +/- 2.73   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  22.70 +/- 3.01   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.717, support = 1.45, residual support = 14.2:
          QD1   ILE  119 - HN    GLN  116   4.67 +/- 0.58  74.943% * 89.3701% (0.73   1.49  14.53) =  97.420%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.88 +/- 0.90  23.772% *  7.3735% (0.38   0.24   0.02) =   2.550%  kept
          QG2   VAL  108 - HN    GLN  116   9.85 +/- 0.53   1.152% *  1.6572% (1.00   0.02   0.02) =   0.028%
          HB2   LEU  104 - HN    GLN  116  14.04 +/- 0.77   0.133% *  1.5993% (0.97   0.02   0.02) =   0.003%
    Distance limit 4.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.51 +/- 0.38  99.917% * 94.6610% (0.90   0.75   2.24) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.44 +/- 0.84   0.042% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.62 +/- 1.77   0.041% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.22, residual support = 102.3:
          HB2   GLN  116 - HN    LEU  115   4.64 +/- 0.13  98.165% * 95.8052% (0.22   5.22 102.33) =  99.979%  kept
          HB2   PRO   58 - HN    LEU  115  10.68 +/- 1.90   1.193% *  1.3195% (0.80   0.02   0.02) =   0.017%
          HG2   PRO   52 - HN    LEU  115  12.76 +/- 1.30   0.292% *  0.7388% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  12.59 +/- 1.20   0.334% *  0.5621% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU  115  29.11 +/- 1.48   0.002% *  1.0660% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    LEU  115  23.24 +/- 1.60   0.007% *  0.2542% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.25 +/- 0.68   0.006% *  0.2542% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.39 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.797, support = 7.28, residual support = 221.0:
      O   HB2   LEU  115 - HN    LEU  115   2.19 +/- 0.18  79.646% * 82.4974% (0.80  10.0   7.37 228.25) =  96.589%  kept
          QB    GLU- 114 - HN    LEU  115   3.09 +/- 0.37  13.565% * 17.0972% (0.69   1.0   4.83  15.36) =   3.409%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.78 +/- 1.01   6.779% *  0.0159% (0.15   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU  115  10.88 +/- 1.57   0.009% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.48 +/- 1.11   0.001% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  21.31 +/- 1.50   0.000% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.34 +/- 0.75   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.85 +/- 1.32   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.00 +/- 1.05   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.29 +/- 0.97   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.31 +/- 1.52   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.939, support = 7.51, residual support = 228.2:
      O   HB3   LEU  115 - HN    LEU  115   3.13 +/- 0.41  58.731% * 77.8720% (0.98  10.0   7.51 228.25) =  83.673%  kept
          HG    LEU  115 - HN    LEU  115   3.59 +/- 0.81  41.073% * 21.7273% (0.73   1.0   7.53 228.25) =  16.327%  kept
          QB    ALA  120 - HN    LEU  115   8.24 +/- 0.50   0.174% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  13.31 +/- 1.54   0.012% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  17.04 +/- 2.04   0.002% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.84 +/- 0.93   0.002% *  0.0779% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  18.67 +/- 1.25   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.20 +/- 0.74   0.001% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.34 +/- 1.87   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.26 +/- 1.12   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.527, support = 1.82, residual support = 8.03:
          QG2   VAL  107 - HN    LEU  115   3.08 +/- 0.30  96.836% * 64.1234% (0.53   1.83   8.03) =  99.436%  kept
          HG13  ILE  119 - HN    LEU  115   7.10 +/- 1.08   1.078% * 32.1978% (0.73   0.66   8.42) =   0.556%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.70 +/- 0.95   2.034% *  0.2058% (0.15   0.02   2.24) =   0.007%
          HG2   LYS+ 121 - HN    LEU  115  11.75 +/- 0.85   0.043% *  1.0196% (0.76   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LEU  115  19.86 +/- 0.69   0.002% *  1.3312% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.62 +/- 0.71   0.007% *  0.2058% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.93 +/- 1.38   0.000% *  0.9164% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.04, residual support = 228.2:
          QD2   LEU  115 - HN    LEU  115   3.73 +/- 0.42  97.853% * 98.8212% (0.65   9.04 228.25) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.59 +/- 0.94   2.034% *  0.1043% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  13.64 +/- 0.72   0.052% *  0.3031% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  15.73 +/- 2.22   0.030% *  0.1153% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  20.08 +/- 3.98   0.011% *  0.3197% (0.95   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  16.60 +/- 0.63   0.015% *  0.1043% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  20.65 +/- 2.88   0.006% *  0.2321% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 228.2:
          QD1   LEU  115 - HN    LEU  115   3.76 +/- 0.50  99.969% * 99.6807% (0.80   7.38 228.25) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.54 +/- 1.16   0.031% *  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 = 0.541, support = 6.77, residual support = 138.4:
      O   HB    ILE  103 - HN    ILE  103   2.14 +/- 0.06  90.029% * 64.9771% (0.53  10.0   6.76 138.43) =  94.511%  kept
          HG12  ILE  103 - HN    ILE  103   3.14 +/- 0.24   9.903% * 34.3042% (0.80   1.0   6.94 138.43) =   5.489%  kept
          HB    VAL   41 - HN    ILE  103   9.29 +/- 0.85   0.016% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.14 +/- 0.38   0.016% *  0.0554% (0.45   1.0   0.02   3.92) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.10 +/- 0.57   0.034% *  0.0244% (0.20   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  18.68 +/- 1.43   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.66 +/- 0.80   0.001% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.22 +/- 1.48   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.46 +/- 1.63   0.000% *  0.0699% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.24 +/- 1.40   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.65 +/- 0.47   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  28.21 +/- 1.01   0.000% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  26.86 +/- 3.55   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  26.94 +/- 1.15   0.000% *  0.0343% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 6.25, residual support = 138.4:
          HG13  ILE  103 - HN    ILE  103   4.06 +/- 0.10  99.556% * 98.5493% (0.65   6.25 138.43) =  99.999%  kept
          HG2   LYS+ 121 - HN    ILE  103  12.61 +/- 1.13   0.134% *  0.4704% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  13.21 +/- 0.41   0.087% *  0.4831% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  12.15 +/- 1.48   0.195% *  0.0854% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.68 +/- 0.59   0.008% *  0.3153% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.09 +/- 1.19   0.020% *  0.0965% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.14 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.794, support = 6.09, residual support = 138.4:
          QG2   ILE  103 - HN    ILE  103   3.55 +/- 0.06  40.144% * 70.5728% (1.00   6.33 138.43) =  62.711%  kept
          QD1   ILE  103 - HN    ILE  103   3.21 +/- 0.81  59.114% * 28.4946% (0.45   5.70 138.43) =  37.285%  kept
          QD2   LEU   40 - HN    ILE  103   7.07 +/- 0.37   0.702% *  0.2153% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  13.16 +/- 2.06   0.023% *  0.2187% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.42 +/- 0.47   0.009% *  0.1263% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.36 +/- 0.82   0.006% *  0.0620% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  18.48 +/- 1.23   0.002% *  0.0917% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.63 +/- 0.74   0.001% *  0.2187% (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 = 0.448, support = 7.41, residual support = 220.2:
          HG    LEU  104 - HN    LEU  104   2.98 +/- 0.32  98.533% * 97.6137% (0.45   7.41 220.19) =  99.994%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.61 +/- 0.44   1.044% *  0.4034% (0.69   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    LEU  104   8.09 +/- 1.19   0.412% *  0.2633% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LEU  104  15.82 +/- 2.07   0.007% *  0.3325% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  18.12 +/- 1.30   0.003% *  0.5821% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.63 +/- 0.92   0.002% *  0.3562% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  25.91 +/- 2.39   0.000% *  0.4488% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.248, support = 7.23, residual support = 180.9:
      O   HB2   LEU  104 - HN    LEU  104   2.47 +/- 0.07  63.856% * 65.6595% (0.22  10.0   7.38 220.19) =  78.457%  kept
          QG2   ILE  103 - HN    LEU  104   2.78 +/- 0.27  34.301% * 33.5553% (0.34   1.0   6.67  37.93) =  21.538%  kept
          QD2   LEU   40 - HN    LEU  104   4.65 +/- 0.51   1.803% *  0.1436% (0.49   1.0   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    LEU  104  10.05 +/- 2.33   0.033% *  0.1322% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  11.67 +/- 1.02   0.006% *  0.1436% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  16.94 +/- 1.03   0.001% *  0.2923% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.98 +/- 0.72   0.000% *  0.0735% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.794, support = 7.81, residual support = 207.6:
          QD2   LEU  104 - HN    LEU  104   2.84 +/- 0.60  89.008% * 66.1077% (0.80   8.00 220.19) =  94.095%  kept
          QD1   LEU   98 - HN    LEU  104   4.36 +/- 0.48  10.975% * 33.6492% (0.69   4.75   6.08) =   5.905%  kept
          QD1   ILE   19 - HN    LEU  104  15.22 +/- 0.87   0.007% *  0.1335% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.86 +/- 0.85   0.006% *  0.0459% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.96 +/- 1.19   0.004% *  0.0637% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.673, support = 7.53, residual support = 55.9:
          HB2   PHE   97 - HN    ASP- 105   2.67 +/- 0.80  88.028% * 79.6100% (0.69   7.61  56.95) =  96.916%  kept
          QE    LYS+ 106 - HN    ASP- 105   4.95 +/- 0.87  11.411% * 19.5318% (0.25   5.14  22.95) =   3.082%  kept
          QE    LYS+  99 - HN    ASP- 105   8.13 +/- 0.71   0.298% *  0.2733% (0.90   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    ASP- 105   8.48 +/- 0.78   0.243% *  0.1253% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.21 +/- 1.22   0.006% *  0.1971% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  15.88 +/- 0.88   0.004% *  0.2213% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.91 +/- 0.90   0.010% *  0.0412% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.45, residual support = 57.0:
          HB3   PHE   97 - HN    ASP- 105   2.83 +/- 0.43  99.951% * 98.6797% (0.90   5.45  56.95) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.25 +/- 0.58   0.037% *  0.4034% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.58 +/- 0.58   0.007% *  0.3954% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.18 +/- 1.12   0.002% *  0.1809% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.47 +/- 1.05   0.002% *  0.1122% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  22.09 +/- 1.97   0.001% *  0.2284% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.74, residual support = 42.8:
      O   HB2   ASP- 105 - HN    ASP- 105   3.56 +/- 0.36  99.580% * 99.3924% (0.80  10.0   4.74  42.77) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.25 +/- 1.02   0.252% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.53 +/- 0.69   0.065% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.50 +/- 0.75   0.040% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  13.26 +/- 0.34   0.044% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.90 +/- 0.77   0.005% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.36 +/- 0.85   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  22.53 +/- 0.87   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.38 +/- 1.40   0.007% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  22.52 +/- 0.90   0.002% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.54 +/- 1.37   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.77, support = 4.67, residual support = 42.2:
      O   HB3   ASP- 105 - HN    ASP- 105   3.21 +/- 0.37  87.805% * 76.7319% (0.76  10.0   4.67  42.77) =  97.387%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.91 +/- 0.17   8.016% * 22.5118% (0.98   1.0   4.57  22.95) =   2.608%  kept
          HB    ILE  103 - HN    ASP- 105   5.50 +/- 0.25   4.135% *  0.0690% (0.69   1.0   0.02   3.92) =   0.004%
          HB3   LYS+  38 - HN    ASP- 105  14.72 +/- 1.00   0.012% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  15.94 +/- 0.81   0.007% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.80 +/- 0.76   0.005% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  17.09 +/- 1.67   0.006% *  0.0650% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.23 +/- 0.89   0.006% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.41 +/- 0.37   0.004% *  0.0377% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.18 +/- 0.95   0.001% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  24.49 +/- 0.68   0.001% *  0.0927% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.41 +/- 0.79   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  25.66 +/- 2.82   0.000% *  0.0969% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.509, support = 5.9, residual support = 35.3:
          HG    LEU  104 - HN    ASP- 105   4.48 +/- 0.29  66.924% * 51.5043% (0.45   6.57  39.54) =  74.312%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.35 +/- 0.39  25.155% * 47.3153% (0.69   3.94  22.95) =  25.661%  kept
          HB3   LYS+ 121 - HN    ASP- 105   6.83 +/- 1.05   7.777% *  0.1567% (0.45   0.02   0.02) =   0.026%
          HB3   LYS+ 111 - HN    ASP- 105  13.71 +/- 2.09   0.112% *  0.1979% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  19.50 +/- 1.35   0.011% *  0.3465% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.89 +/- 0.94   0.018% *  0.2120% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  25.32 +/- 2.23   0.002% *  0.2672% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 5.15, residual support = 27.1:
          HB2   LEU  104 - HN    ASP- 105   2.69 +/- 0.15  53.106% * 60.1687% (0.22   6.50  39.54) =  64.948%  kept
          QG2   ILE  103 - HN    ASP- 105   2.78 +/- 0.30  45.830% * 37.6185% (0.34   2.65   3.92) =  35.043%  kept
          QD2   LEU   40 - HN    ASP- 105   5.47 +/- 0.59   0.991% *  0.4046% (0.49   0.02   0.02) =   0.008%
          QD1   LEU   67 - HN    ASP- 105   9.89 +/- 2.40   0.054% *  0.3726% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  10.27 +/- 0.95   0.018% *  0.4046% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  16.53 +/- 1.08   0.001% *  0.8238% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.41 +/- 0.70   0.001% *  0.2072% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 22.9:
          HB2   ASP- 105 - HN    LYS+ 106   2.79 +/- 0.40  99.660% * 97.8216% (0.98   3.82  22.95) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   8.28 +/- 0.34   0.209% *  0.1612% (0.31   0.02   2.13) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106   8.88 +/- 0.79   0.121% *  0.2147% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.93 +/- 0.85   0.004% *  0.4684% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.82 +/- 0.70   0.003% *  0.3991% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  22.13 +/- 0.99   0.001% *  0.4362% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.75 +/- 0.79   0.000% *  0.4182% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  20.57 +/- 0.74   0.001% *  0.0806% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.96, support = 5.25, residual support = 125.2:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.25 +/- 0.17  59.292% * 86.3003% (0.98  10.0   5.39 135.77) =  90.675%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.51 +/- 0.66  40.366% * 13.0365% (0.76   1.0   3.87  22.95) =   9.325%  kept
          HB    ILE  103 - HN    LYS+ 106   7.86 +/- 0.37   0.312% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.42 +/- 0.70   0.013% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.66 +/- 0.52   0.007% *  0.0330% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  18.94 +/- 1.09   0.002% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.83 +/- 0.76   0.001% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.54 +/- 1.58   0.002% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.90 +/- 0.77   0.002% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.02 +/- 0.95   0.001% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  22.22 +/- 0.65   0.001% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.99 +/- 0.93   0.002% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  24.64 +/- 2.74   0.000% *  0.0850% (0.97   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 = 2.24, residual support = 2.39:
          QG2   THR  118 - HN    LYS+ 106   3.44 +/- 0.59 100.000% *100.0000% (0.53   2.24   2.39) = 100.000%  kept
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.6:
          HB2   PHE   95 - HN    VAL  107   2.52 +/- 0.55 100.000% *100.0000% (1.00   2.31  45.63) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 58.2:
      O   HB    VAL  107 - HN    VAL  107   2.33 +/- 0.06  99.981% * 99.7350% (0.99  10.0   3.33  58.22) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.86 +/- 0.62   0.011% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.60 +/- 1.01   0.008% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.80 +/- 1.76   0.000% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.96 +/- 1.07   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.24 +/- 0.90   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 = 5.13, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.21 +/- 0.20  96.680% * 95.3357% (0.53   5.13  26.77) =  99.993%  kept
          HB3   ASP- 105 - HN    VAL  107   6.10 +/- 0.62   3.008% *  0.1762% (0.25   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    VAL  107   9.98 +/- 0.87   0.126% *  0.6522% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.51 +/- 0.51   0.049% *  0.6337% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.26 +/- 0.61   0.107% *  0.1398% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.10 +/- 1.20   0.010% *  0.5131% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.31 +/- 0.60   0.004% *  0.6926% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  19.84 +/- 1.09   0.002% *  0.7003% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.25 +/- 1.01   0.005% *  0.1573% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  18.87 +/- 0.41   0.002% *  0.2905% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.97 +/- 0.70   0.002% *  0.2410% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  21.62 +/- 2.32   0.001% *  0.3439% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  18.73 +/- 1.40   0.003% *  0.1237% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   2.94 +/- 0.21  99.639% * 90.6145% (0.20   3.84  58.22) =  99.992%  kept
          HG13  ILE  119 - HN    VAL  107   8.38 +/- 1.03   0.260% *  2.3622% (0.99   0.02   0.11) =   0.007%
          HG2   LYS+ 121 - HN    VAL  107  10.59 +/- 0.98   0.065% *  0.5943% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.37 +/- 1.09   0.017% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  13.74 +/- 1.39   0.013% *  1.1601% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.67 +/- 1.38   0.003% *  2.3780% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.34 +/- 0.38   0.004% *  1.4455% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.73 +/- 0.46  99.720% * 99.4150% (0.95  10.0   4.08  62.13) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   9.00 +/- 1.12   0.205% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  10.83 +/- 0.67   0.041% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.86 +/- 1.76   0.019% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.88 +/- 1.06   0.003% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.88 +/- 1.60   0.009% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.94 +/- 0.74   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.29 +/- 0.55   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.04 +/- 0.63   0.000% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.07 +/- 1.07   0.000% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.94 +/- 1.49   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.08 +/- 2.26   0.000% *  0.0262% (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 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.43 +/- 0.07  99.642% * 92.9874% (0.28   3.64  15.34) =  99.996%  kept
          HG13  ILE  119 - HN    VAL  108  10.50 +/- 0.82   0.140% *  1.7394% (0.95   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    VAL  108  12.26 +/- 1.59   0.122% *  0.6272% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  108  12.51 +/- 1.42   0.076% *  0.8950% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    VAL  108  15.23 +/- 1.28   0.015% *  0.4585% (0.25   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.73 +/- 0.43   0.004% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.82 +/- 1.57   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   4.10 +/- 0.11  99.395% * 95.2124% (0.25   4.10  15.34) =  99.991%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.78 +/- 0.97   0.370% *  1.1292% (0.61   0.02   0.02) =   0.004%
          HG    LEU   63 - HN    VAL  108  11.97 +/- 1.07   0.188% *  1.7967% (0.97   0.02   0.02) =   0.004%
          QG2   VAL   24 - HN    VAL  108  14.85 +/- 0.90   0.047% *  1.8617% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.63 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.6:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  99.998% * 99.6957% (0.69  10.0   4.64  27.64) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.07 +/- 0.73   0.002% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.63 +/- 0.60   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.95 +/- 0.87   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 = 3.74, residual support = 36.5:
      O   HB2   ASP-  76 - HN    ASP-  76   3.07 +/- 0.37  99.197% * 99.7699% (1.00  10.0   3.74  36.50) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.12 +/- 0.47   0.783% *  0.0724% (0.73   1.0   0.02   3.05) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  14.17 +/- 1.21   0.014% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  17.19 +/- 1.42   0.005% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.02 +/- 0.49   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  20.97 +/- 0.92   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.76, residual support = 36.5:
      O   HB3   ASP-  76 - HN    ASP-  76   2.53 +/- 0.52  99.836% * 97.9021% (0.28  10.0   3.76  36.50) = 100.000%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.77 +/- 0.30   0.104% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  11.51 +/- 1.06   0.021% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  11.54 +/- 0.34   0.021% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  13.92 +/- 1.59   0.007% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  14.69 +/- 0.88   0.005% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.40 +/- 1.73   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.52 +/- 0.62   0.001% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  18.35 +/- 0.98   0.001% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.93 +/- 0.75   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  24.39 +/- 0.83   0.000% *  0.0784% (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 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.6:
          QG1   VAL   75 - HN    ASP-  76   3.02 +/- 0.31  99.991% * 99.7156% (0.69   4.97  27.64) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.11 +/- 1.41   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 = 27.6:
          QG2   VAL   75 - HN    ASP-  76   3.97 +/- 0.36  99.882% * 99.6074% (0.98   4.64  27.64) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.83 +/- 0.90   0.118% *  0.3926% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.35:
      O   HA2   GLY  109 - HN    GLY  109   2.59 +/- 0.28  99.973% * 99.3336% (0.43  10.0   2.20   9.35) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.44 +/- 0.58   0.010% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.42 +/- 0.69   0.007% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  15.92 +/- 2.26   0.004% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.91 +/- 1.94   0.003% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.47 +/- 1.30   0.003% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.689, support = 0.02, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.12 +/- 1.53  90.258% * 20.3763% (0.70   0.02   0.02) =  94.484%  kept
          HG12  ILE   89 - HN    GLY  109  14.22 +/- 3.17   3.332% * 21.3024% (0.73   0.02   0.02) =   3.647%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.35 +/- 1.53   5.353% *  4.3683% (0.15   0.02   0.02) =   1.201%  kept
          HG2   LYS+  74 - HN    GLY  109  14.64 +/- 1.44   0.743% * 13.3882% (0.46   0.02   0.02) =   0.511%  kept
          HG3   LYS+  99 - HN    GLY  109  21.45 +/- 0.68   0.085% * 12.4970% (0.43   0.02   0.02) =   0.055%
          HG    LEU   71 - HN    GLY  109  22.14 +/- 1.26   0.065% * 14.2794% (0.49   0.02   0.02) =   0.048%
          HB3   LEU   71 - HN    GLY  109  20.81 +/- 0.74   0.101% *  5.5041% (0.19   0.02   0.02) =   0.029%
          HG13  ILE   19 - HN    GLY  109  22.04 +/- 1.14   0.062% *  8.2844% (0.28   0.02   0.02) =   0.026%
    Distance limit 4.56 A violated in 16 structures by 1.44 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 = 7.45:
          QG1   VAL  108 - HN    GLY  109   2.36 +/- 0.22  99.994% * 98.9381% (0.65   3.09   7.45) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.42 +/- 0.67   0.002% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.26 +/- 1.28   0.003% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.03 +/- 1.47   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   3.09 +/- 0.39  99.911% * 99.3336% (0.57  10.0   2.20   6.40) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.36 +/- 0.79   0.033% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  12.91 +/- 1.03   0.030% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  15.37 +/- 2.22   0.011% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  16.95 +/- 2.29   0.008% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.20 +/- 2.09   0.008% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.233, support = 0.738, residual support = 6.32:
          HG2   PRO   93 - HN    ALA  110   3.98 +/- 1.81  84.845% * 54.6666% (0.22   0.75   6.42) =  98.373%  kept
          HB3   PRO   52 - HN    ALA  110   6.86 +/- 2.24  10.693% *  6.4182% (0.98   0.02   0.02) =   1.456%  kept
          QB    LYS+ 106 - HN    ALA  110   8.61 +/- 0.72   3.338% *  1.2958% (0.20   0.02   0.02) =   0.092%
          HB3   ASP- 105 - HN    ALA  110  13.13 +/- 0.86   0.504% *  2.9356% (0.45   0.02   0.02) =   0.031%
          HG    LEU  123 - HN    ALA  110  17.30 +/- 0.93   0.091% *  6.4182% (0.98   0.02   0.02) =   0.012%
          HG2   ARG+  54 - HN    ALA  110  12.93 +/- 2.17   0.164% *  3.1872% (0.49   0.02   0.02) =   0.011%
          HG12  ILE  103 - HN    ALA  110  16.75 +/- 1.08   0.072% *  5.2431% (0.80   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    ALA  110  17.16 +/- 0.92   0.082% *  3.4450% (0.53   0.02   0.02) =   0.006%
          QB    LYS+  66 - HN    ALA  110  16.55 +/- 2.03   0.060% *  2.9356% (0.45   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ALA  110  14.54 +/- 1.46   0.092% *  1.8205% (0.28   0.02   0.02) =   0.004%
          HB    VAL   41 - HN    ALA  110  18.56 +/- 1.37   0.026% *  4.2358% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  19.46 +/- 1.99   0.020% *  1.4578% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ALA  110  24.05 +/- 1.83   0.007% *  3.7071% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA  110  24.33 +/- 1.57   0.006% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 2 structures by 0.43 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   2.65 +/- 0.20  99.268% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   6.66 +/- 0.88   0.710% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.74 +/- 2.02   0.012% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.85 +/- 2.13   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  17.26 +/- 1.91   0.002% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.53 +/- 4.47   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.65 +/- 1.84   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  18.66 +/- 1.62   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.92 +/- 4.01   0.002% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.64 +/- 2.46   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.59 +/- 1.60   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.11 +/- 1.99   0.000% *  0.0874% (0.61   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 = 7.05, residual support = 315.0:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.38 +/- 0.36  77.894% * 99.3619% (1.00  10.0   7.06 315.02) =  99.985%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.27 +/- 0.50  21.996% *  0.0524% (0.53   1.0   0.02   0.19) =   0.015%
          HB    ILE  119 - HN    LYS+ 111  10.66 +/- 0.87   0.103% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  23.09 +/- 1.65   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  24.19 +/- 1.71   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  24.39 +/- 1.95   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  21.97 +/- 1.68   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  25.82 +/- 1.65   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  24.17 +/- 1.84   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.07 +/- 1.57   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.17 +/- 1.49   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.79 +/- 1.41   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.46 +/- 0.47  99.980% * 99.4649% (0.92  10.0   5.50 315.02) = 100.000%  kept
          HD2   LYS+ 121 - HN    LYS+ 111  13.03 +/- 1.01   0.011% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+ 111  14.40 +/- 0.89   0.004% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.28 +/- 1.63   0.002% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  17.04 +/- 2.40   0.001% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.22 +/- 1.42   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.30 +/- 1.74   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.43 +/- 1.21   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.84 +/- 2.13   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.0:
          HG3   LYS+ 111 - HN    LYS+ 111   3.25 +/- 0.41  98.855% * 98.8216% (0.92   6.55 315.02) =  99.999%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.87 +/- 1.19   1.119% *  0.0646% (0.20   0.02  27.98) =   0.001%
          HG12  ILE   89 - HN    LYS+ 111  17.80 +/- 3.60   0.014% *  0.3153% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.52 +/- 1.62   0.008% *  0.1981% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.26 +/- 1.59   0.001% *  0.1849% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.72 +/- 1.80   0.001% *  0.2113% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.47 +/- 1.76   0.001% *  0.1226% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.42 +/- 1.43   0.001% *  0.0815% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.22, residual support = 2.21:
          QD1   ILE   56 - HN    LYS+ 111   5.21 +/- 2.45  95.861% * 97.5420% (0.76   2.22   2.22) =  99.964%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.57 +/- 0.90   2.393% *  1.1116% (0.97   0.02   0.02) =   0.028%
          QD2   LEU  123 - HN    LYS+ 111  14.73 +/- 0.71   1.295% *  0.3929% (0.34   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LYS+ 111  16.32 +/- 1.59   0.383% *  0.5606% (0.49   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+ 111  23.28 +/- 1.71   0.068% *  0.3929% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 7 structures by 1.51 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.74, residual support = 232.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.06  99.990% * 99.8622% (0.87  10.0   5.74 232.09) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  14.43 +/- 1.70   0.008% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.33 +/- 0.94   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  28.94 +/- 1.14   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 28.0:
          HB2   LYS+ 111 - HN    LYS+ 112   3.85 +/- 0.50  85.338% * 97.8509% (0.87   7.06  27.98) =  99.984%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.42 +/- 0.41  13.923% *  0.0889% (0.28   0.02   0.11) =   0.015%
          HB    ILE  119 - HN    LYS+ 112  10.11 +/- 0.46   0.322% *  0.1556% (0.49   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LYS+ 112  10.77 +/- 0.85   0.256% *  0.0889% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.84 +/- 1.14   0.149% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.61 +/- 1.13   0.002% *  0.2559% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  24.64 +/- 1.31   0.002% *  0.3196% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.61 +/- 1.04   0.002% *  0.2559% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.39 +/- 0.83   0.001% *  0.2559% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.67 +/- 0.81   0.001% *  0.1556% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.67 +/- 0.83   0.002% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.19 +/- 0.86   0.001% *  0.1809% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  28.69 +/- 1.62   0.001% *  0.1938% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  24.56 +/- 1.38   0.002% *  0.0560% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 232.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.52 +/- 0.52  99.241% * 98.9690% (0.76  10.0   5.72 232.09) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.73 +/- 1.82   0.744% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  14.96 +/- 0.68   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.24 +/- 1.09   0.006% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.88 +/- 0.65   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  18.90 +/- 1.34   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.17 +/- 0.66   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  20.76 +/- 1.21   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.46 +/- 0.92   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.49 +/- 1.77   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.72 +/- 3.62   0.001% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.78 +/- 1.05   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.37 +/- 1.06   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.876, support = 5.72, residual support = 232.1:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.06 +/- 0.60  74.759% * 84.2293% (0.90  10.0   5.66 232.09) =  94.803%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.32 +/- 0.89  22.161% * 15.5751% (0.49   1.0   6.81 232.09) =   5.197%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.65 +/- 0.51   3.032% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  10.97 +/- 0.76   0.046% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.11 +/- 0.76   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.31 +/- 0.74   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.22, residual support = 232.1:
          HG2   LYS+ 112 - HN    LYS+ 112   3.79 +/- 0.41  99.735% * 98.1723% (0.34   6.22 232.09) =  99.998%  kept
          QB    ALA   47 - HN    LYS+ 112  12.11 +/- 1.52   0.165% *  0.7413% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  13.11 +/- 0.54   0.068% *  0.6359% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.98 +/- 0.91   0.032% *  0.4506% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 8.56:
          QD1   ILE   56 - HN    LYS+ 112   4.77 +/- 1.88  97.958% * 96.8849% (0.76   1.74   8.56) =  99.982%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.60 +/- 0.90   0.729% *  1.4088% (0.97   0.02   0.02) =   0.011%
          QD2   LEU  123 - HN    LYS+ 112  13.98 +/- 0.64   1.137% *  0.4979% (0.34   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    LYS+ 112  18.17 +/- 1.08   0.156% *  0.7105% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 112  26.22 +/- 1.29   0.021% *  0.4979% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 5 structures by 0.98 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 232.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.16 +/- 0.62  99.783% * 99.2179% (0.87   5.94 232.09) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  12.91 +/- 1.21   0.036% *  0.3774% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.57 +/- 0.83   0.179% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  20.32 +/- 0.95   0.002% *  0.3453% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.08 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.18, residual support = 15.0:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.05  99.978% * 99.8622% (0.74  10.0   5.18  14.97) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.66 +/- 0.79   0.010% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  16.52 +/- 1.62   0.013% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  30.56 +/- 0.97   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.42, residual support = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.10 +/- 0.07 100.000% *100.0000% (0.82  10.0   3.42  14.27) = 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 = 2.79, residual support = 21.4:
          QG    GLU- 114 - HN    ASP- 113   4.56 +/- 0.48  98.932% * 93.3963% (0.26   2.79  21.37) =  99.987%  kept
          HB2   PRO   58 - HN    ASP- 113  11.81 +/- 1.92   0.579% *  1.0545% (0.41   0.02   0.02) =   0.007%
          HG2   PRO   52 - HN    ASP- 113  12.80 +/- 1.45   0.270% *  1.6557% (0.65   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    ASP- 113  14.21 +/- 2.08   0.213% *  0.5402% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  25.26 +/- 1.71   0.004% *  0.8131% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  31.99 +/- 1.41   0.001% *  1.9999% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.55 +/- 1.71   0.001% *  0.5402% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.10 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.785, support = 2.35, residual support = 6.84:
          HB2   LYS+ 111 - HN    ASP- 113   3.49 +/- 0.74  79.725% * 54.5517% (0.85   2.18   4.00) =  83.636%  kept
          QB    GLU- 114 - HN    ASP- 113   4.42 +/- 0.21  20.023% * 42.4964% (0.45   3.22  21.37) =  16.363%  kept
          HB    ILE  119 - HN    ASP- 113   9.22 +/- 0.37   0.247% *  0.1251% (0.21   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP- 113  24.76 +/- 1.06   0.001% *  0.4919% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.03 +/- 1.02   0.001% *  0.4919% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  24.69 +/- 1.32   0.001% *  0.4501% (0.76   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.66 +/- 0.64   0.001% *  0.2250% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  24.42 +/- 1.54   0.001% *  0.1884% (0.32   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  30.20 +/- 1.48   0.000% *  0.4353% (0.74   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  29.31 +/- 0.69   0.000% *  0.2640% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  27.83 +/- 0.89   0.000% *  0.1549% (0.26   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.55 +/- 0.64   0.000% *  0.1251% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.07, residual support = 15.0:
          HB2   LYS+ 112 - HN    ASP- 113   3.36 +/- 0.37  99.638% * 96.0532% (0.65   5.07  14.97) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.72 +/- 1.75   0.283% *  0.0765% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  12.77 +/- 1.51   0.046% *  0.1861% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.59 +/- 0.73   0.017% *  0.3207% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.32 +/- 0.54   0.004% *  0.4576% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.58 +/- 1.40   0.003% *  0.4576% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.17 +/- 0.71   0.003% *  0.3405% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  21.93 +/- 1.20   0.002% *  0.4300% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.78 +/- 1.88   0.001% *  0.4141% (0.71   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.08 +/- 0.75   0.001% *  0.2038% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.77 +/- 3.64   0.001% *  0.1236% (0.21   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.04 +/- 0.98   0.000% *  0.4576% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.37 +/- 0.99   0.000% *  0.4784% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.702, support = 4.73, residual support = 15.0:
          HB3   LYS+ 112 - HN    ASP- 113   3.84 +/- 0.37  70.889% * 59.1080% (0.76   4.52  14.97) =  82.002%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.13 +/- 1.10  22.819% * 40.2851% (0.41   5.68  14.97) =  17.991%  kept
          QG2   VAL  107 - HN    ASP- 113   5.96 +/- 0.40   6.195% *  0.0577% (0.17   0.02   0.02) =   0.007%
          QG2   THR   94 - HN    ASP- 113  11.82 +/- 0.72   0.091% *  0.2527% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  18.96 +/- 0.78   0.005% *  0.1767% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.86 +/- 0.66   0.001% *  0.1198% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 21.4:
      O   HA    ASP- 113 - HN    GLU- 114   3.63 +/- 0.02  99.477% * 99.6702% (1.00  10.0   3.29  21.37) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.66 +/- 0.83   0.328% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.88 +/- 1.29   0.178% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  16.23 +/- 0.47   0.013% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  20.80 +/- 0.90   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.57 +/- 1.23   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  24.90 +/- 3.47   0.002% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 3.29, residual support = 21.4:
          QB    ASP- 113 - HN    GLU- 114   2.48 +/- 0.14  99.995% * 99.8601% (0.97   3.29  21.37) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.66 +/- 1.53   0.005% *  0.1399% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.38, residual support = 44.0:
          QG    GLU- 114 - HN    GLU- 114   2.68 +/- 0.43  99.982% * 97.7184% (0.84   4.38  43.95) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.51 +/- 1.36   0.009% *  0.5234% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  14.18 +/- 1.96   0.008% *  0.4081% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.02 +/- 1.72   0.000% *  0.4789% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  30.84 +/- 1.61   0.000% *  0.4632% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.90 +/- 1.86   0.000% *  0.4081% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.841, support = 3.65, residual support = 39.8:
      O   QB    GLU- 114 - HN    GLU- 114   2.24 +/- 0.21  50.667% * 89.8110% (0.84  10.0   3.83  43.95) =  90.547%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.64 +/- 1.27  49.332% *  9.6299% (0.90   1.0   2.00   0.19) =   9.453%  kept
          HB    ILE   19 - HN    GLU- 114  23.73 +/- 0.76   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.46 +/- 0.94   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.49 +/- 1.04   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  23.52 +/- 1.60   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.97 +/- 1.23   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  29.11 +/- 1.57   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  28.04 +/- 0.92   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 = 0.918, support = 0.0199, residual support = 0.188:
          HB3   LYS+ 111 - HN    GLU- 114   3.74 +/- 0.93  99.194% * 15.6743% (0.92   0.02   0.19) =  99.459%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.16 +/- 0.94   0.223% * 16.6435% (0.98   0.02   0.02) =   0.237%
          HD2   LYS+ 121 - HN    GLU- 114  10.67 +/- 1.66   0.476% *  6.9806% (0.41   0.02   0.02) =   0.213%
          QD    LYS+  66 - HN    GLU- 114  15.94 +/- 2.06   0.046% * 13.5963% (0.80   0.02   0.02) =   0.040%
          HG    LEU  104 - HN    GLU- 114  17.61 +/- 0.88   0.028% * 16.6435% (0.98   0.02   0.02) =   0.030%
          HD3   LYS+  74 - HN    GLU- 114  18.97 +/- 1.15   0.016% * 15.2279% (0.90   0.02   0.02) =   0.016%
          HG2   LYS+  65 - HN    GLU- 114  19.58 +/- 1.15   0.010% *  5.7919% (0.34   0.02   0.02) =   0.004%
          QG2   THR   26 - HN    GLU- 114  23.61 +/- 0.70   0.005% *  4.7210% (0.28   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    GLU- 114  30.29 +/- 1.79   0.001% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 1 structures by 0.23 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 = 0.506, support = 1.45, residual support = 5.05:
          QG2   VAL  107 - HN    GLU- 114   4.73 +/- 0.37  78.546% * 76.1206% (0.53   1.47   5.33) =  94.617%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.81 +/- 1.44  19.454% * 17.3389% (0.15   1.14   0.11) =   5.338%  kept
          HG13  ILE  119 - HN    GLU- 114   9.33 +/- 1.08   1.674% *  1.4265% (0.73   0.02   0.02) =   0.038%
          HG2   LYS+ 121 - HN    GLU- 114  12.65 +/- 1.27   0.274% *  1.5013% (0.76   0.02   0.02) =   0.007%
          QB    ALA   20 - HN    GLU- 114  21.80 +/- 0.69   0.008% *  1.9601% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  16.76 +/- 0.94   0.042% *  0.3031% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.70 +/- 1.57   0.002% *  1.3494% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.04 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   3.34 +/- 0.34  99.965% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.19 +/- 1.50   0.033% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.98 +/- 1.14   0.001% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  26.36 +/- 3.50   0.001% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.87 +/- 0.89   0.001% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.59 +/- 1.40   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.83 +/- 0.11  99.990% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  14.59 +/- 1.90   0.010% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.73 +/- 0.69   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 = 75.6:
      O   HA    GLU- 100 - HN    GLU- 100   2.19 +/- 0.05  99.995% * 99.4046% (0.57  10.0   6.39  75.62) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  11.99 +/- 1.08   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.02 +/- 0.99   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.38 +/- 0.61   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  26.61 +/- 3.38   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.05 +/- 1.32   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 = 4.3, residual support = 75.6:
          HG3   GLU- 100 - HN    GLU- 100   2.90 +/- 0.66  99.903% * 97.4401% (0.69   4.30  75.62) =  99.999%  kept
          QB    GLN   32 - HN    GLU- 100  11.50 +/- 0.84   0.067% *  0.6462% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  14.09 +/- 1.42   0.016% *  0.6462% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  16.95 +/- 2.04   0.008% *  0.6236% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.14 +/- 1.19   0.004% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  23.69 +/- 0.81   0.001% *  0.1833% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.32 +/- 2.08   0.000% *  0.1833% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.92 +/- 2.87   0.000% *  0.1305% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 39.6:
          HB2   LYS+  99 - HN    GLU- 100   4.46 +/- 0.06  99.730% * 99.1240% (0.73   5.60  39.57) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.17 +/- 0.80   0.266% *  0.4071% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  28.48 +/- 2.23   0.002% *  0.3725% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  26.42 +/- 2.12   0.003% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 6.35, residual support = 39.6:
          HG2   LYS+  99 - HN    GLU- 100   3.41 +/- 0.44  96.987% * 98.3853% (0.90   6.35  39.57) =  99.990%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.82 +/- 1.03   2.802% *  0.3335% (0.97   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    GLU- 100  10.45 +/- 1.01   0.173% *  0.1956% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  14.98 +/- 0.81   0.019% *  0.1066% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.13 +/- 0.68   0.012% *  0.0769% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  19.44 +/- 0.86   0.004% *  0.2096% (0.61   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  25.36 +/- 2.33   0.001% *  0.3269% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.22 +/- 2.08   0.001% *  0.2235% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  25.95 +/- 4.34   0.001% *  0.1421% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 4.76, residual support = 171.5:
      O   HB2   LYS+  99 - HN    LYS+  99   2.69 +/- 0.21  99.947% * 99.7262% (0.99  10.0   4.76 171.45) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.95 +/- 0.77   0.026% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.33 +/- 0.85   0.021% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.55 +/- 0.69   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.28 +/- 1.07   0.003% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  27.80 +/- 2.32   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  16.75 +/- 0.96   0.002% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  21.29 +/- 3.37   0.001% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.76, residual support = 16.7:
          QB    LEU   98 - HN    LYS+  99   3.39 +/- 0.20  98.221% * 93.4184% (0.57   3.76  16.67) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+  99  12.02 +/- 2.30   0.123% *  0.7619% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  99  12.02 +/- 1.19   0.067% *  0.3938% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.70 +/- 0.91   1.092% *  0.0089% (0.01   0.02   4.71) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.87 +/- 1.32   0.068% *  0.1355% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  15.89 +/- 1.31   0.012% *  0.7877% (0.90   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.35 +/- 0.70   0.143% *  0.0518% (0.06   0.02  13.88) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.66 +/- 1.00   0.122% *  0.0327% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  17.96 +/- 1.01   0.005% *  0.7336% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.22 +/- 0.50   0.006% *  0.5327% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  15.57 +/- 1.45   0.013% *  0.2442% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.49 +/- 0.52   0.004% *  0.7336% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  12.36 +/- 0.58   0.046% *  0.0482% (0.05   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  16.82 +/- 5.46   0.032% *  0.0462% (0.05   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  25.28 +/- 5.81   0.002% *  0.7033% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  24.88 +/- 4.47   0.001% *  0.8477% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  17.12 +/- 3.97   0.015% *  0.0557% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.80 +/- 1.30   0.001% *  0.2711% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.47 +/- 1.07   0.009% *  0.0259% (0.03   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.93 +/- 0.63   0.005% *  0.0350% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  17.28 +/- 2.11   0.008% *  0.0178% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.46 +/- 1.33   0.002% *  0.0482% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.22 +/- 2.49   0.001% *  0.0501% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.59 +/- 0.69   0.002% *  0.0160% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.772, support = 3.2, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.06 +/- 0.79  76.710% * 46.4659% (0.80   2.96  17.08) =  74.955%  kept
          QD1   LEU   98 - HN    LYS+  99   4.18 +/- 0.72  22.470% * 53.0029% (0.69   3.93  16.67) =  25.045%  kept
          QD1   ILE   19 - HN    GLN   30   7.76 +/- 0.95   0.693% *  0.0167% (0.04   0.02  13.88) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  13.69 +/- 0.72   0.014% *  0.2539% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.80 +/- 0.76   0.061% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.88 +/- 0.84   0.007% *  0.0874% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.01 +/- 1.07   0.004% *  0.1211% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.33 +/- 0.48   0.026% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.28 +/- 0.90   0.006% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.75 +/- 1.02   0.008% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.858, support = 3.98, residual support = 16.9:
          QD1   LEU  104 - HN    LYS+  99   3.91 +/- 0.67  75.547% * 93.9793% (0.87   4.00  17.08) =  98.881%  kept
          QD1   LEU   73 - HN    GLN   30   5.07 +/- 0.63  23.027% *  3.4731% (0.06   2.25   4.71) =   1.114%  kept
          QD1   LEU   73 - HN    LYS+  99  10.05 +/- 0.67   0.334% *  0.4699% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  10.58 +/- 0.56   0.226% *  0.4699% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  10.01 +/- 0.73   0.358% *  0.1506% (0.28   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  99  14.76 +/- 0.81   0.030% *  0.5405% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN   30  13.59 +/- 4.94   0.303% *  0.0353% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  20.68 +/- 4.82   0.010% *  0.5369% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  20.39 +/- 3.42   0.009% *  0.2227% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30  14.43 +/- 3.01   0.085% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.35 +/- 0.81   0.024% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.55 +/- 1.07   0.022% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.89 +/- 0.87   0.021% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.49 +/- 1.02   0.004% *  0.0355% (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 = 4.1, residual support = 11.1:
          HB3   PHE   97 - HN    LEU   98   3.97 +/- 0.40  98.914% * 97.5877% (0.65   4.10  11.09) =  99.993%  kept
          HB2   GLU- 100 - HN    LEU   98   8.81 +/- 0.38   0.986% *  0.6593% (0.90   0.02   0.02) =   0.007%
          QG    GLN   32 - HN    LEU   98  14.09 +/- 0.87   0.063% *  0.3867% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.74 +/- 0.56   0.015% *  0.5886% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  19.04 +/- 1.94   0.010% *  0.6140% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  18.62 +/- 0.91   0.011% *  0.1637% (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 = 0.669, support = 3.77, residual support = 23.7:
          HB    VAL   41 - HN    LEU   98   4.15 +/- 0.62  73.794% * 58.5957% (0.65   4.05  23.17) =  85.266%  kept
          HG12  ILE  103 - HN    LEU   98   5.55 +/- 0.75  19.201% * 38.8536% (0.80   2.17  26.87) =  14.711%  kept
          HB    ILE  103 - HN    LEU   98   7.36 +/- 0.26   2.275% *  0.2355% (0.53   0.02  26.87) =   0.011%
          HB3   ASP- 105 - HN    LEU   98   7.95 +/- 0.44   1.368% *  0.2007% (0.45   0.02   4.15) =   0.005%
          QB    LYS+ 106 - HN    LEU   98   7.18 +/- 0.53   2.982% *  0.0886% (0.20   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    LEU   98  12.11 +/- 1.37   0.139% *  0.2007% (0.45   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   98  14.72 +/- 1.78   0.056% *  0.4388% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  11.99 +/- 0.61   0.120% *  0.1527% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  14.89 +/- 1.28   0.039% *  0.2534% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  20.45 +/- 1.52   0.005% *  0.4388% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  17.05 +/- 0.49   0.014% *  0.0997% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.86 +/- 0.79   0.002% *  0.2179% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  23.62 +/- 2.77   0.003% *  0.0997% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  23.81 +/- 0.80   0.002% *  0.1245% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.17, residual support = 83.4:
      O   QB    LEU   98 - HN    LEU   98   2.87 +/- 0.27  94.813% * 99.2383% (0.84  10.0   5.17  83.39) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.17 +/- 0.76   4.996% *  0.0208% (0.18   1.0   0.02   0.63) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  11.70 +/- 2.30   0.073% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.04 +/- 0.86   0.067% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  12.92 +/- 1.43   0.016% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.46 +/- 0.55   0.007% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.30 +/- 0.92   0.005% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.20 +/- 0.47   0.008% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.66 +/- 0.72   0.010% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  21.13 +/- 4.24   0.001% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  21.70 +/- 5.49   0.001% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  21.27 +/- 1.29   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.30 +/- 0.92   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.963, support = 4.44, residual support = 9.46:
          QD2   LEU   40 - HN    LEU   98   2.78 +/- 0.46  95.079% * 86.3194% (0.97   4.45   9.49) =  99.734%  kept
          QG2   ILE  103 - HN    LEU   98   5.70 +/- 0.45   1.719% * 12.5096% (0.87   0.72  26.87) =   0.261%
          QD1   ILE  103 - HN    LEU   98   5.80 +/- 0.89   2.699% *  0.0796% (0.20   0.02  26.87) =   0.003%
          QD1   LEU   67 - HN    LEU   98   8.12 +/- 1.60   0.370% *  0.3804% (0.95   0.02   0.02) =   0.002%
          QD2   LEU   71 - HN    LEU   98   9.29 +/- 0.53   0.118% *  0.1118% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  13.48 +/- 0.83   0.011% *  0.2920% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.17 +/- 0.70   0.005% *  0.3073% (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 = 0.376, support = 4.34, residual support = 71.6:
          QD1   LEU   98 - HN    LEU   98   3.63 +/- 0.68  51.306% * 58.3071% (0.38   4.85  83.39) =  82.214%  kept
          QG1   VAL   41 - HN    LEU   98   3.93 +/- 0.47  34.012% * 12.9200% (0.15   2.61  23.17) =  12.077%  kept
          QD2   LEU  104 - HN    LEU   98   5.57 +/- 0.87   7.760% * 21.6704% (0.99   0.68   6.08) =   4.621%  kept
          QG1   VAL   43 - HN    LEU   98   5.30 +/- 0.83   6.805% *  5.8108% (0.28   0.65   0.02) =   1.087%  kept
          QD1   ILE   19 - HN    LEU   98  11.45 +/- 0.79   0.053% *  0.5914% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.66 +/- 0.88   0.046% *  0.3118% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.53 +/- 1.04   0.019% *  0.3886% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.183, support = 4.56, residual support = 69.2:
          QD2   LEU   98 - HN    LEU   98   3.51 +/- 0.71  78.665% * 29.6976% (0.15   4.68  83.39) =  77.409%  kept
          QG2   VAL   41 - HN    LEU   98   5.18 +/- 0.36  10.980% * 53.1729% (0.28   4.65  23.17) =  19.345%  kept
          QD1   LEU  104 - HN    LEU   98   5.63 +/- 0.60   6.847% * 13.9410% (0.31   1.10   6.08) =   3.163%  kept
          QD1   LEU   73 - HN    LEU   98   7.28 +/- 0.57   1.471% *  0.7379% (0.90   0.02   0.02) =   0.036%
          QD1   LEU   63 - HN    LEU   98   7.80 +/- 0.62   1.011% *  0.7379% (0.90   0.02   0.02) =   0.025%
          QD2   LEU   63 - HN    LEU   98   7.77 +/- 0.75   0.939% *  0.6872% (0.84   0.02   0.02) =   0.021%
          QD2   LEU  115 - HN    LEU   98  12.47 +/- 0.83   0.055% *  0.4658% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  17.64 +/- 4.54   0.018% *  0.4329% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  18.68 +/- 4.73   0.015% *  0.1269% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 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   2.84 +/- 0.60  96.518% * 99.6886% (0.95  10.0   4.84  62.62) =  99.998%  kept
          QE    LYS+ 106 - HN    PHE   97   5.40 +/- 0.69   3.170% *  0.0554% (0.53   1.0   0.02  10.10) =   0.002%
          QE    LYS+  99 - HN    PHE   97   9.33 +/- 0.80   0.158% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  12.84 +/- 0.76   0.018% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97  10.07 +/- 0.50   0.090% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.68 +/- 0.95   0.039% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.00 +/- 1.06   0.006% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 45.8:
          HG2   MET   96 - HN    PHE   97   3.25 +/- 0.57  99.975% * 99.4690% (0.73   5.60  45.84) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.13 +/- 1.81   0.006% *  0.4089% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HN    PHE   97  14.66 +/- 1.30   0.019% *  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   3.05 +/- 0.57  98.802% * 99.0693% (0.34  10.0   5.19  62.62) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   6.94 +/- 0.81   1.143% *  0.0808% (0.28   1.0   0.02   2.46) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.20 +/- 0.40   0.036% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.02 +/- 0.95   0.010% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  17.11 +/- 1.04   0.005% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  19.00 +/- 2.01   0.004% *  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 = 0.505, support = 5.3, residual support = 49.1:
          HB2   MET   96 - HN    PHE   97   4.00 +/- 0.10  80.857% * 35.2419% (0.31   6.07  45.84) =  70.711%  kept
          HB2   ASP- 105 - HN    PHE   97   5.38 +/- 0.89  18.643% * 63.3060% (0.98   3.44  56.95) =  29.287%  kept
          HG12  ILE  119 - HN    PHE   97  10.18 +/- 1.12   0.398% *  0.1545% (0.41   0.02   0.45) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.28 +/- 0.57   0.063% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.36 +/- 0.63   0.018% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.82 +/- 0.82   0.008% *  0.3010% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  19.14 +/- 1.00   0.007% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  19.73 +/- 1.06   0.006% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 45.8:
          HB3   MET   96 - HN    PHE   97   4.34 +/- 0.34  99.641% * 91.3873% (0.15   6.07  45.84) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.91 +/- 0.77   0.098% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.73 +/- 0.37   0.072% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.14 +/- 0.71   0.099% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.36 +/- 0.89   0.062% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.31 +/- 0.83   0.020% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.11 +/- 1.49   0.007% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  31.70 +/- 1.96   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.623, support = 1.31, residual support = 1.45:
          QG2   ILE  103 - HN    PHE   97   3.80 +/- 0.47  88.393% * 48.0813% (0.61   1.34   1.53) =  89.371%  kept
          QD2   LEU   40 - HN    PHE   97   5.66 +/- 0.51  10.282% * 49.0682% (0.76   1.08   0.74) =  10.609%  kept
          QD1   LEU   67 - HN    PHE   97   9.54 +/- 1.99   0.884% *  0.8595% (0.73   0.02   0.02) =   0.016%
          QD1   ILE  119 - HN    PHE   97   9.99 +/- 1.11   0.338% *  0.2951% (0.25   0.02   0.45) =   0.002%
          HB    VAL   75 - HN    PHE   97  13.07 +/- 1.17   0.079% *  1.1197% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   97  15.44 +/- 0.64   0.023% *  0.5761% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 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   3.61 +/- 0.27  99.935% * 95.7142% (0.24   4.00  11.99) =  99.999%  kept
          HB3   TRP   87 - HN    MET   96  16.82 +/- 2.90   0.017% *  1.0876% (0.54   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  17.28 +/- 1.00   0.010% *  1.8830% (0.93   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    MET   96  16.14 +/- 0.71   0.015% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.79 +/- 0.65   0.024% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.06, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.78 +/- 0.16  99.807% * 99.6054% (0.94  10.0   4.06 115.54) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.41 +/- 0.57   0.150% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.68 +/- 0.55   0.020% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.90 +/- 1.01   0.005% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.27 +/- 0.84   0.004% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.75 +/- 0.62   0.003% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.27 +/- 0.70   0.009% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  16.85 +/- 0.93   0.002% *  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   2.66 +/- 0.15  99.946% * 99.5022% (0.57  10.0   3.97 115.54) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.55 +/- 0.50   0.017% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.62 +/- 1.35   0.020% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.99 +/- 0.85   0.014% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.59 +/- 0.52   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.28 +/- 1.40   0.001% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.58 +/- 1.58   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   3.56 +/- 0.35  99.466% * 76.2797% (0.19   1.50  16.41) =  99.979%  kept
          HB2   LEU   71 - HN    MET   96  11.29 +/- 0.89   0.123% *  4.4580% (0.82   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    MET   96  10.94 +/- 0.44   0.146% *  2.5016% (0.46   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  12.16 +/- 0.29   0.070% *  3.7319% (0.69   0.02   0.10) =   0.003%
          HB2   LYS+  99 - HN    MET   96  11.76 +/- 0.68   0.093% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  14.01 +/- 0.56   0.030% *  4.2927% (0.79   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    MET   96  12.72 +/- 1.37   0.058% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  17.04 +/- 0.57   0.009% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  19.77 +/- 1.71   0.004% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.49, residual support = 1.91:
          QG2   THR   94 - HN    MET   96   4.19 +/- 0.25  99.402% * 95.2971% (0.85   1.49   1.91) =  99.994%  kept
          HB3   LEU   71 - HN    MET   96  11.67 +/- 0.78   0.257% *  1.3504% (0.89   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    MET   96  13.44 +/- 2.00   0.218% *  0.3969% (0.26   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.46 +/- 1.86   0.040% *  1.3993% (0.93   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  15.97 +/- 0.67   0.037% *  1.2383% (0.82   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    MET   96  16.17 +/- 2.40   0.047% *  0.3178% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   3.79 +/- 0.43  97.163% * 96.6032% (0.76   2.96  16.41) =  99.980%  kept
          QG2   THR   46 - HN    MET   96   9.05 +/- 1.08   0.836% *  0.8141% (0.94   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    MET   96   8.37 +/- 0.28   1.000% *  0.4949% (0.57   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    MET   96   9.82 +/- 0.86   0.480% *  0.7874% (0.91   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    MET   96   9.85 +/- 0.73   0.427% *  0.5925% (0.69   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    MET   96  12.43 +/- 0.73   0.093% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.834, support = 1.04, residual support = 0.954:
          QD1   LEU   63 - HN    MET   96   6.03 +/- 0.62  30.994% * 56.5888% (0.85   1.12   0.97) =  85.221%  kept
          QD2   LEU   63 - HN    MET   96   7.60 +/- 0.77   7.982% * 32.9527% (0.79   0.70   0.97) =  12.781%  kept
          QD2   LEU  115 - HN    MET   96   9.78 +/- 0.93   2.256% *  7.8432% (0.54   0.25   0.02) =   0.860%  kept
          QD1   LEU   73 - HN    MET   96   7.00 +/- 0.47  13.780% *  1.0118% (0.85   0.02   0.02) =   0.677%  kept
          QD2   LEU   98 - HN    MET   96   6.07 +/- 1.07  34.309% *  0.1741% (0.15   0.02   0.44) =   0.290%
          QG2   VAL   41 - HN    MET   96   7.69 +/- 0.57   7.945% *  0.3137% (0.26   0.02   0.02) =   0.121%
          QD1   LEU  104 - HN    MET   96   9.88 +/- 0.64   1.633% *  0.3482% (0.29   0.02   0.02) =   0.028%
          QD2   LEU   80 - HN    MET   96  14.15 +/- 4.24   0.658% *  0.5936% (0.50   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    MET   96  15.15 +/- 4.31   0.444% *  0.1741% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 11 structures by 0.87 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.497, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96  12.10 +/- 2.21  20.397% * 55.1266% (0.72   0.02   0.02) =  49.865%  kept
          QD2   LEU   31 - HN    MET   96   9.28 +/- 0.97  65.662% *  9.7622% (0.13   0.02   0.02) =  28.427%  kept
          QG2   VAL   83 - HN    MET   96  12.97 +/- 2.77  13.941% * 35.1112% (0.46   0.02   0.02) =  21.707%  kept
    Distance limit 4.44 A violated in 20 structures by 4.17 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.56 +/- 0.20 100.000% *100.0000% (0.87  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 4.00 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   3.62 +/- 0.12  99.940% * 99.8580% (0.98  10.0   4.20  73.52) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.75 +/- 0.78   0.056% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  19.97 +/- 1.12   0.004% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.6:
          HB    VAL  107 - HN    PHE   95   3.97 +/- 0.77  95.999% * 98.3872% (0.99   3.24  45.63) =  99.982%  kept
          HB3   PHE   45 - HN    PHE   95   7.67 +/- 0.65   3.738% *  0.4206% (0.69   0.02   1.89) =   0.017%
          QE    LYS+ 112 - HN    PHE   95  11.58 +/- 1.17   0.218% *  0.4206% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.30 +/- 1.71   0.033% *  0.2298% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.72 +/- 1.07   0.007% *  0.4206% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.12 +/- 0.86   0.005% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.13 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 4.16, residual support = 15.8:
          QG2   THR   94 - HN    PHE   95   2.44 +/- 0.39  85.049% * 79.2456% (0.87   4.15  14.45) =  95.823%  kept
          QG2   VAL  107 - HN    PHE   95   3.94 +/- 0.76  14.915% * 19.6961% (0.20   4.52  45.63) =   4.177%  kept
          HG13  ILE  103 - HN    PHE   95   9.74 +/- 0.49   0.023% *  0.2673% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.70 +/- 0.69   0.005% *  0.3953% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.25 +/- 1.80   0.006% *  0.2145% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.67 +/- 0.73   0.001% *  0.1812% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 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   2.59 +/- 0.16  99.909% * 98.9931% (0.65  10.0   3.08  25.32) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.63 +/- 1.11   0.047% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.13 +/- 0.61   0.017% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  15.77 +/- 2.12   0.004% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.94 +/- 0.69   0.007% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.29 +/- 1.24   0.008% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.67 +/- 0.66   0.001% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.07 +/- 0.96   0.001% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  14.68 +/- 1.21   0.003% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.36 +/- 1.05   0.001% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.41 +/- 0.67   0.000% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.64 +/- 1.03   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 = 27.2:
          HB2   PHE   45 - HN    THR   94   2.86 +/- 0.83  99.745% * 98.8926% (0.95   2.96  27.19) =  99.998%  kept
          QE    LYS+ 111 - HN    THR   94  11.20 +/- 1.77   0.223% *  0.7071% (1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    THR   94  13.62 +/- 0.84   0.032% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.08 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.561, support = 1.5, residual support = 26.8:
          HB3   PHE   45 - HN    THR   94   3.96 +/- 0.62  94.085% * 72.7536% (0.57   1.50  27.19) =  98.509%  kept
          HB    VAL  107 - HN    THR   94   7.49 +/- 0.80   4.893% * 20.9946% (0.20   1.24   0.02) =   1.478%  kept
          QE    LYS+ 112 - HN    THR   94  11.85 +/- 1.43   0.357% *  0.9700% (0.57   0.02   0.02) =   0.005%
          HG3   MET   96 - HN    THR   94  10.07 +/- 0.34   0.473% *  0.4764% (0.28   0.02   1.91) =   0.003%
          HB3   ASP-  86 - HN    THR   94  15.06 +/- 2.68   0.121% *  1.6982% (0.99   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    THR   94  14.19 +/- 1.09   0.064% *  1.1769% (0.69   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  21.73 +/- 0.79   0.004% *  1.6982% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  26.70 +/- 1.28   0.001% *  0.2319% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.01 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   4.09 +/- 0.12  92.684% * 99.5171% (0.98  10.0   4.40  15.60) =  99.995%  kept
          HB    VAL  108 - HN    THR   94   7.27 +/- 1.27   5.415% *  0.0697% (0.69   1.0   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94   9.10 +/- 2.01   1.607% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   94  13.03 +/- 0.81   0.098% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  13.03 +/- 0.74   0.095% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.07 +/- 0.91   0.063% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.85 +/- 0.82   0.020% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.70 +/- 0.60   0.011% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.16 +/- 0.46   0.004% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  23.51 +/- 1.18   0.003% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.23 +/- 1.64   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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   3.95 +/- 0.18  84.957% * 94.5732% (0.90  10.0   2.74  15.60) =  99.219%  kept
          HB3   ASP-  44 - HN    THR   94   5.74 +/- 0.93  13.742% *  4.5973% (0.49   1.0   1.79   0.02) =   0.780%  kept
          HB3   LEU   73 - HN    THR   94  10.70 +/- 1.29   0.297% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    THR   94  11.51 +/- 1.08   0.164% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    THR   94  11.37 +/- 0.56   0.160% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.37 +/- 0.42   0.157% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.11 +/- 0.75   0.196% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.33 +/- 1.45   0.092% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.26 +/- 1.45   0.073% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  14.14 +/- 3.46   0.122% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.48 +/- 1.27   0.013% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  18.76 +/- 0.93   0.008% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.82 +/- 1.22   0.004% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.82 +/- 1.07   0.003% *  0.0513% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.72 +/- 1.17   0.008% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.15 +/- 1.02   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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   3.80 +/- 0.11  99.106% * 94.3549% (0.34   3.52  25.32) =  99.989%  kept
          HG3   LYS+ 111 - HN    THR   94  10.95 +/- 1.89   0.453% *  1.3137% (0.84   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HN    THR   94  13.79 +/- 2.31   0.175% *  1.1420% (0.73   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    THR   94  11.87 +/- 1.97   0.161% *  1.2019% (0.76   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HN    THR   94  13.42 +/- 1.43   0.080% *  0.4854% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  16.60 +/- 0.75   0.015% *  1.2594% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.90 +/- 1.12   0.010% *  0.2427% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.859, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - HN    THR   94   7.65 +/- 1.46  82.722% * 76.3346% (0.90   0.02   0.02) =  93.919%  kept
          QG1   VAL   83 - HN    THR   94  11.62 +/- 3.13  17.278% * 23.6654% (0.28   0.02   0.02) =   6.081%  kept
    Distance limit 4.53 A violated in 19 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.166, support = 3.91, residual support = 61.4:
          HG3   MET   92 - HN    MET   92   3.93 +/- 0.45  96.462% * 40.3551% (0.14   4.04  64.04) =  95.841%  kept
          QG    GLN   90 - HN    MET   92   7.35 +/- 0.52   3.254% * 51.8003% (0.87   0.81   0.02) =   4.150%  kept
          HB2   ASP-  44 - HN    MET   92  11.51 +/- 1.19   0.233% *  1.4458% (0.98   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    MET   92  16.69 +/- 1.43   0.023% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  16.76 +/- 1.03   0.021% *  0.7760% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.45 +/- 1.56   0.002% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.35 +/- 1.64   0.002% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.16 +/- 1.59   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  33.73 +/- 1.58   0.000% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 64.0:
      O   HB2   MET   92 - HN    MET   92   2.35 +/- 0.35  99.715% * 99.5386% (1.00  10.0   3.94  64.04) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.90 +/- 0.50   0.232% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.68 +/- 1.65   0.033% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  13.43 +/- 2.16   0.011% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.79 +/- 0.59   0.008% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  18.16 +/- 1.25   0.001% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  20.87 +/- 1.20   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.06 +/- 0.90   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.46 +/- 0.95   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  27.22 +/- 1.68   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.01 +/- 1.90   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 = 4.27, residual support = 64.0:
      O   HB3   MET   92 - HN    MET   92   3.47 +/- 0.25  95.821% * 99.1115% (0.57  10.0   4.27  64.04) =  99.998%  kept
          HG3   PRO   93 - HN    MET   92   6.69 +/- 0.37   2.290% *  0.0346% (0.20   1.0   0.02   1.46) =   0.001%
          HB    ILE   89 - HN    MET   92   8.49 +/- 1.79   1.485% *  0.0437% (0.25   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    MET   92   9.64 +/- 0.79   0.245% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.72 +/- 2.36   0.092% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.87 +/- 1.12   0.042% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  14.86 +/- 1.35   0.021% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.67 +/- 0.55   0.001% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.43 +/- 0.65   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.18 +/- 1.36   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   2.82 +/- 0.48  99.549% * 96.7035% (1.00   3.55  14.22) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   8.35 +/- 1.10   0.376% *  0.3746% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    MET   92  12.53 +/- 2.15   0.055% *  0.3528% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  13.81 +/- 1.72   0.017% *  0.1079% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  20.87 +/- 1.27   0.001% *  0.5442% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.75 +/- 1.60   0.001% *  0.4731% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.43 +/- 0.85   0.002% *  0.2655% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.81 +/- 1.31   0.001% *  0.3308% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.19 +/- 0.63   0.000% *  0.3746% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  29.93 +/- 1.43   0.000% *  0.4731% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.83:
          HA    ILE   89 - HN    ALA   91   3.85 +/- 0.41  99.689% * 96.1985% (0.61   2.49   7.83) = 100.000%  kept
          HB3   SER   82 - HN    ALA   91  13.43 +/- 1.56   0.099% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  19.12 +/- 1.11   0.008% *  1.2060% (0.95   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  14.18 +/- 0.64   0.047% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.96 +/- 0.93   0.035% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  15.34 +/- 4.04   0.087% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  17.56 +/- 3.05   0.018% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.81 +/- 2.03   0.010% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  21.57 +/- 1.09   0.004% *  0.1490% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.92 +/- 1.73   0.001% *  0.7733% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  27.88 +/- 1.86   0.001% *  0.5716% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.51 +/- 1.45   0.001% *  0.5241% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.72, support = 4.95, residual support = 32.5:
          HB2   GLN   90 - HN    ALA   91   3.71 +/- 1.06  67.908% * 95.6059% (0.73   4.96  32.85) =  99.078%  kept
          HB2   GLU-  25 - HN    TRP   27   4.78 +/- 0.09  23.428% *  2.5619% (0.02   3.95   0.02) =   0.916%  kept
          HG3   GLU-  29 - HN    TRP   27   6.62 +/- 0.60   3.865% *  0.0588% (0.11   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    TRP   27   6.74 +/- 0.57   4.212% *  0.0345% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   91  11.62 +/- 1.88   0.397% *  0.1050% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  11.88 +/- 2.63   0.124% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  18.92 +/- 2.17   0.010% *  0.1050% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.08 +/- 2.06   0.002% *  0.4761% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.81 +/- 0.36   0.039% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  18.31 +/- 0.76   0.008% *  0.0620% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.67 +/- 2.15   0.002% *  0.2793% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  20.55 +/- 1.43   0.004% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  31.71 +/- 2.20   0.000% *  0.5021% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  28.46 +/- 1.81   0.001% *  0.1324% (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 = 0.984, support = 4.94, residual support = 32.7:
          HB3   GLN   90 - HN    ALA   91   3.85 +/- 0.55  77.678% * 89.4258% (0.99   4.96  32.85) =  99.136%  kept
          HB2   MET   92 - HN    ALA   91   5.84 +/- 0.79   8.520% *  7.0689% (0.15   2.52  14.22) =   0.860%  kept
          HB3   GLN   30 - HN    TRP   27   5.74 +/- 0.69  12.510% *  0.0112% (0.03   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   91  11.24 +/- 0.76   0.146% *  0.3511% (0.97   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91   9.86 +/- 2.10   0.509% *  0.0907% (0.25   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    TRP   27   9.66 +/- 0.34   0.378% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.08 +/- 1.64   0.074% *  0.2059% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  13.89 +/- 1.28   0.040% *  0.3511% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  14.51 +/- 1.10   0.040% *  0.3441% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  21.47 +/- 1.16   0.004% *  0.3566% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  15.94 +/- 3.56   0.027% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  22.31 +/- 1.53   0.003% *  0.3441% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  15.49 +/- 0.69   0.021% *  0.0425% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  24.43 +/- 1.71   0.002% *  0.3638% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.10 +/- 1.10   0.009% *  0.0425% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  21.83 +/- 1.96   0.004% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  20.10 +/- 1.57   0.006% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.52 +/- 0.94   0.004% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  29.39 +/- 1.09   0.001% *  0.3358% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.59 +/- 0.62   0.008% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  21.84 +/- 0.94   0.003% *  0.0415% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.10 +/- 0.77   0.004% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.12 +/- 1.34   0.001% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.37 +/- 1.49   0.002% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  31.15 +/- 2.04   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  18.52 +/- 1.73   0.007% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  22.80 +/- 1.62   0.002% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  25.33 +/- 1.94   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.18 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.5:
      O   QB    ALA   91 - HN    ALA   91   2.37 +/- 0.25  95.535% * 99.2924% (0.92  10.0   3.62  14.53) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.59 +/- 0.91   4.353% *  0.0055% (0.05   1.0   0.02   0.51) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.32 +/- 0.97   0.019% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   8.95 +/- 0.27   0.037% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  13.21 +/- 1.84   0.004% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.43 +/- 0.81   0.004% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  11.72 +/- 1.25   0.009% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.06 +/- 0.30   0.011% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  10.98 +/- 1.31   0.014% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.06 +/- 0.51   0.012% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  14.83 +/- 1.58   0.002% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.75 +/- 1.60   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.41 +/- 1.27   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.28 +/- 1.33   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.84 +/- 1.30   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.81 +/- 0.70   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  24.31 +/- 1.99   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.56 +/- 1.30   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.92 +/- 2.11   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  27.65 +/- 1.77   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.388, support = 0.0198, residual support = 0.0198:
          HB3   TRP   87 - HE22  GLN   90  10.18 +/- 0.92  44.560% * 18.6359% (0.49   0.02   0.02) =  65.930%  kept
          HG2   GLU-  36 - HE22  GLN   32   9.82 +/- 1.35  54.040% *  7.7282% (0.20   0.02   0.02) =  33.157%  kept
          HG3   MET   96 - HE22  GLN   32  20.58 +/- 1.51   0.749% *  4.5337% (0.12   0.02   0.02) =   0.270%
          HG3   MET   96 - HE22  GLN   90  23.50 +/- 1.32   0.275% * 11.8170% (0.31   0.02   0.02) =   0.258%
          HG3   GLN  116 - HE22  GLN   90  28.09 +/- 2.60   0.133% * 21.6759% (0.57   0.02   0.02) =   0.228%
          HB3   TRP   87 - HE22  GLN   32  28.10 +/- 4.76   0.206% *  7.1499% (0.19   0.02   0.02) =   0.117%
          HG2   GLU-  36 - HE22  GLN   90  38.11 +/- 2.53   0.016% * 20.1433% (0.53   0.02   0.02) =   0.026%
          HG3   GLN  116 - HE22  GLN   32  36.52 +/- 0.94   0.020% *  8.3162% (0.22   0.02   0.02) =   0.013%
    Distance limit 5.50 A violated in 20 structures by 3.20 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   2.92 +/- 0.01  99.988% * 99.2019% (0.18  10.0   5.16 159.19) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  13.52 +/- 0.96   0.011% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  19.79 +/- 1.05   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.14 +/- 0.19  99.845% * 99.3899% (0.61  10.0   3.12  12.48) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102   9.88 +/- 0.95   0.120% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.27 +/- 1.50   0.022% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  18.71 +/- 1.41   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.82 +/- 1.09   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  17.98 +/- 0.51   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  18.95 +/- 0.81   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  18.49 +/- 1.72   0.003% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  23.99 +/- 0.74   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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   3.44 +/- 0.29  99.978% * 99.6785% (0.28  10.0   3.12  12.48) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  15.20 +/- 1.69   0.021% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.88 +/- 0.42   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 = 0.754, support = 0.02, residual support = 0.02:
          HB    ILE   19 - HN    LYS+ 102  16.08 +/- 0.91  19.215% * 11.0262% (0.76   0.02   0.02) =  22.515%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.38 +/- 1.01  12.958% * 12.0512% (0.84   0.02   0.02) =  16.596%  kept
          HG2   PRO   68 - HN    LYS+ 102  17.21 +/- 2.00  15.233% *  9.9106% (0.69   0.02   0.02) =  16.043%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.51 +/- 0.88   8.609% * 13.6482% (0.95   0.02   0.02) =  12.486%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.46 +/- 1.46  25.824% *  3.5976% (0.25   0.02   0.02) =   9.873%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.78 +/- 1.16   7.674% *  8.7509% (0.61   0.02   0.02) =   7.137%  kept
          HB3   GLU-  25 - HN    LYS+ 102  20.73 +/- 1.78   4.494% * 14.4279% (1.00   0.02   0.02) =   6.891%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.14 +/- 1.65   3.110% * 12.9393% (0.90   0.02   0.02) =   4.276%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.11 +/- 0.72   2.884% * 13.6482% (0.95   0.02   0.02) =   4.183%  kept
    Distance limit 4.45 A violated in 20 structures by 7.73 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 159.2:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.58 +/- 0.18  98.435% * 99.4444% (0.98  10.0   4.64 159.19) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.59 +/- 0.45   1.224% *  0.0455% (0.45   1.0   0.02  22.16) =   0.001%
          HB    VAL   41 - HN    LYS+ 102   7.27 +/- 1.16   0.318% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.38 +/- 1.51   0.019% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  16.13 +/- 1.33   0.002% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.31 +/- 0.71   0.001% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.50 +/- 0.58   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  18.52 +/- 1.80   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.24 +/- 0.87   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.01 +/- 1.59   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 = 3.75, residual support = 105.4:
          HG2   LYS+ 102 - HN    LYS+ 102   3.69 +/- 0.48  51.651% * 59.4609% (0.28   4.41 159.19) =  65.605%  kept
          QB    LEU   98 - HN    LYS+ 102   3.80 +/- 0.79  48.261% * 33.3623% (0.28   2.48   2.67) =  34.394%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  14.23 +/- 2.09   0.023% *  0.5485% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  14.10 +/- 1.06   0.017% *  0.7404% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  12.92 +/- 1.62   0.029% *  0.3636% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  17.09 +/- 1.39   0.006% *  0.9667% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  17.76 +/- 1.23   0.004% *  0.5485% (0.57   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.16 +/- 0.49   0.003% *  0.8689% (0.90   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.63 +/- 1.04   0.002% *  0.9667% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  19.89 +/- 0.77   0.002% *  0.5097% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  25.95 +/- 5.90   0.001% *  0.9603% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  25.70 +/- 4.50   0.001% *  0.7035% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.405, support = 1.93, residual support = 1.9:
          QD1   LEU   98 - HN    LYS+ 102   4.46 +/- 1.25  38.781% * 63.2971% (0.18   2.68   2.67) =  69.749%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.35 +/- 0.59  38.266% * 27.2618% (0.95   0.21   0.14) =  29.642%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.05 +/- 1.17  22.424% *  0.9210% (0.34   0.02   0.02) =   0.587%  kept
          QG1   VAL   43 - HN    LYS+ 102   9.24 +/- 0.95   0.482% *  1.4205% (0.53   0.02   0.02) =   0.019%
          QD1   ILE   19 - HN    LYS+ 102  14.48 +/- 0.73   0.027% *  2.6940% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  16.39 +/- 1.03   0.013% *  2.0634% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.45 +/- 1.11   0.006% *  2.3421% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.04, residual support = 37.1:
      O   HA    ILE   89 - HN    GLN   90   2.21 +/- 0.01  99.996% * 99.5753% (0.61  10.0   6.04  37.07) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.40 +/- 1.08   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  20.92 +/- 1.25   0.000% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  30.00 +/- 2.15   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  29.14 +/- 2.16   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  30.77 +/- 1.84   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.99, residual support = 95.2:
          QG    GLN   90 - HN    GLN   90   2.63 +/- 0.38  99.151% * 97.9216% (0.90   5.99  95.16) =  99.998%  kept
          HG3   MET   92 - HN    GLN   90   7.26 +/- 2.13   0.839% *  0.2210% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLN   90  15.03 +/- 1.50   0.008% *  0.2646% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  19.95 +/- 1.52   0.001% *  0.3044% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  21.61 +/- 1.24   0.000% *  0.3612% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  23.70 +/- 2.27   0.000% *  0.2646% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  27.27 +/- 2.01   0.000% *  0.2785% (0.76   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  22.25 +/- 1.00   0.000% *  0.0909% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  27.16 +/- 1.48   0.000% *  0.2210% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  35.46 +/- 2.29   0.000% *  0.0721% (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 = 5.56, residual support = 95.2:
      O   HB3   GLN   90 - HN    GLN   90   3.39 +/- 0.36  97.762% * 99.1031% (0.92  10.0   5.56  95.16) =  99.999%  kept
          HB2   MET   92 - HN    GLN   90   7.24 +/- 1.06   2.031% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90  10.36 +/- 0.85   0.161% *  0.1036% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  15.21 +/- 1.71   0.016% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  15.68 +/- 1.18   0.011% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.83 +/- 1.05   0.012% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  23.04 +/- 1.41   0.001% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  23.28 +/- 1.65   0.001% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  22.65 +/- 2.36   0.001% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  25.20 +/- 2.09   0.001% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.26 +/- 0.93   0.001% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  31.19 +/- 1.28   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  32.30 +/- 2.38   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 6.91, residual support = 37.1:
          QG2   ILE   89 - HN    GLN   90   3.34 +/- 0.19 100.000% *100.0000% (0.65   6.91  37.07) = 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 = 5.49, residual support = 37.1:
          QD1   ILE   89 - HN    GLN   90   4.01 +/- 0.56  86.243% * 99.5134% (0.49   5.49  37.07) =  99.970%  kept
          QG2   VAL   83 - HN    GLN   90   6.95 +/- 1.62  13.075% *  0.1858% (0.25   0.02   0.02) =   0.028%
          QG2   VAL   75 - HN    GLN   90  10.08 +/- 1.76   0.669% *  0.1858% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    GLN   90  17.73 +/- 1.60   0.013% *  0.1150% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 2 structures by 0.13 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 7.51:
      O   HA    ALA   88 - HN    ILE   89   2.81 +/- 0.17  98.519% * 99.4024% (0.99  10.0   4.12   7.51) = 100.000%  kept
          QB    SER   85 - HN    ILE   89   5.84 +/- 0.45   1.365% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   89   9.81 +/- 0.49   0.064% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  12.76 +/- 2.65   0.040% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  13.92 +/- 1.42   0.010% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  22.66 +/- 2.14   0.000% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  23.67 +/- 3.40   0.000% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  27.35 +/- 3.48   0.000% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  25.79 +/- 2.30   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  29.36 +/- 3.27   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  28.01 +/- 1.65   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  27.72 +/- 2.18   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  29.88 +/- 1.94   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.98, residual support = 213.9:
      O   HA    ILE   89 - HN    ILE   89   2.83 +/- 0.02  99.999% * 99.5011% (0.34  10.0   5.98 213.91) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  23.20 +/- 2.05   0.000% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  20.82 +/- 1.45   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  30.05 +/- 2.95   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  29.58 +/- 2.77   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  31.32 +/- 2.82   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 213.9:
      O   HB    ILE   89 - HN    ILE   89   2.45 +/- 0.31  99.914% * 99.6919% (0.45  10.0   5.55 213.91) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   8.85 +/- 1.10   0.084% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  16.08 +/- 2.22   0.002% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  28.24 +/- 2.35   0.000% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.66, residual support = 213.9:
          HG12  ILE   89 - HN    ILE   89   2.21 +/- 0.35  99.878% * 97.8801% (0.76   5.66 213.91) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   7.12 +/- 0.61   0.118% *  0.1396% (0.31   0.02   7.83) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  19.52 +/- 3.55   0.003% *  0.3108% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  16.09 +/- 2.06   0.001% *  0.3924% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  25.91 +/- 3.18   0.000% *  0.4057% (0.90   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  24.61 +/- 2.53   0.000% *  0.2927% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  23.83 +/- 2.18   0.000% *  0.1396% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  29.74 +/- 2.62   0.000% *  0.3779% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  33.14 +/- 3.03   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 213.9:
          QG2   ILE   89 - HN    ILE   89   3.61 +/- 0.29  96.719% * 99.7860% (1.00   6.34 213.91) =  99.994%  kept
          QG1   VAL   83 - HN    ILE   89   6.57 +/- 0.78   3.279% *  0.1655% (0.53   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    ILE   89  23.97 +/- 1.89   0.001% *  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 = 5.5, residual support = 213.9:
          HG13  ILE   89 - HN    ILE   89   3.55 +/- 0.27 100.000% *100.0000% (0.90   5.50 213.91) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.6:
      O   HA    ALA   88 - HN    ALA   88   2.32 +/- 0.18  99.983% * 99.0917% (0.84  10.0   1.63  11.59) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88  10.45 +/- 1.14   0.013% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.51 +/- 2.44   0.003% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.57 +/- 1.43   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  24.60 +/- 3.99   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  25.15 +/- 2.34   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  28.37 +/- 4.06   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  30.71 +/- 3.80   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  28.28 +/- 2.32   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  29.86 +/- 2.54   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.99, residual support = 11.6:
      O   QB    ALA   88 - HN    ALA   88   2.58 +/- 0.22  97.543% * 99.1143% (0.73  10.0   1.99  11.59) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   5.22 +/- 0.77   2.345% *  0.0212% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   9.51 +/- 1.64   0.075% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88  10.36 +/- 1.29   0.034% *  0.0945% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  21.56 +/- 3.17   0.001% *  0.1233% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  18.84 +/- 1.93   0.001% *  0.0617% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  24.23 +/- 3.98   0.000% *  0.1149% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  25.40 +/- 1.66   0.000% *  0.0779% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  23.63 +/- 2.90   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  31.55 +/- 2.68   0.000% *  0.1375% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  34.10 +/- 3.73   0.000% *  0.1348% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  30.72 +/- 1.96   0.000% *  0.0424% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.92 +/- 0.15  99.968% * 99.8429% (0.73  10.0   3.84  74.39) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  15.84 +/- 1.66   0.027% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  21.03 +/- 1.65   0.005% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  29.58 +/- 3.32   0.001% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.12 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   3.24 +/- 0.48  99.913% * 97.4882% (0.80   3.95  22.52) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  12.66 +/- 0.72   0.048% *  0.3244% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.81 +/- 1.26   0.033% *  0.0951% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  19.08 +/- 4.13   0.004% *  0.6165% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  25.09 +/- 3.79   0.001% *  0.6043% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  26.63 +/- 1.82   0.000% *  0.5950% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  28.59 +/- 4.57   0.000% *  0.2764% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 74.4:
      O   HB3   TRP   87 - HN    TRP   87   3.39 +/- 0.11  99.964% * 99.8532% (1.00  10.0   3.71  74.39) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.24 +/- 4.31   0.036% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  28.69 +/- 3.06   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.16 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.26, residual support = 5.34:
          QB    ALA   88 - HN    TRP   87   4.61 +/- 0.26  94.550% * 96.7084% (0.53   2.26   5.35) =  99.930%  kept
          QG2   THR   77 - HN    TRP   87   8.80 +/- 1.59   2.950% *  1.4596% (0.90   0.02   0.02) =   0.047%
          QG2   THR   23 - HN    TRP   87  11.85 +/- 3.28   2.485% *  0.8562% (0.53   0.02   0.02) =   0.023%
          QB    ALA   34 - HN    TRP   87  21.34 +/- 3.13   0.013% *  0.3623% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  30.03 +/- 2.99   0.001% *  0.2511% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  32.40 +/- 3.98   0.001% *  0.3623% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.788, support = 2.31, residual support = 21.8:
          QD1   ILE   89 - HN    TRP   87   3.95 +/- 0.57  60.843% * 82.4599% (0.76   2.56  23.14) =  88.407%  kept
          QG2   VAL   83 - HN    TRP   87   4.57 +/- 0.98  39.139% * 16.8090% (0.97   0.41  11.84) =  11.593%  kept
          QD2   LEU   31 - HN    TRP   87  17.38 +/- 3.11   0.018% *  0.7311% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.623, support = 1.34, residual support = 19.0:
          QD1   ILE   89 - HE1   TRP   87   4.46 +/- 0.60  34.830% * 76.1330% (0.73   1.64  23.14) =  63.029%  kept
          QG2   VAL   83 - HE1   TRP   87   3.69 +/- 2.07  65.170% * 23.8670% (0.45   0.83  11.84) =  36.971%  kept
    Distance limit 4.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.32, residual support = 13.4:
          QB    SER   85 - HN    ASP-  86   3.06 +/- 0.06  95.274% * 83.9913% (0.76   3.33  13.44) =  99.473%  kept
          HA    ALA   88 - HN    ASP-  86   5.48 +/- 0.59   3.256% * 12.9663% (0.69   0.57   0.02) =   0.525%  kept
          HB2   SER   82 - HN    ASP-  86   6.28 +/- 0.40   1.361% *  0.1018% (0.15   0.02   0.02) =   0.002%
          QB    SER   48 - HN    ASP-  86  12.54 +/- 2.63   0.061% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.10 +/- 2.54   0.016% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ASP-  86  14.75 +/- 3.05   0.028% *  0.1018% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  17.50 +/- 1.63   0.003% *  0.5915% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  26.50 +/- 4.14   0.000% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  29.54 +/- 1.71   0.000% *  0.5509% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  30.93 +/- 1.86   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  32.70 +/- 3.02   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   3.07 +/- 0.17  99.992% * 95.3192% (0.61   2.25  10.82) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.97 +/- 1.11   0.003% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  18.22 +/- 2.03   0.004% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  23.68 +/- 3.54   0.001% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.75 +/- 1.52   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  29.10 +/- 3.09   0.000% *  0.7909% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.07, residual support = 41.9:
      O   HB2   ASP-  86 - HN    ASP-  86   3.03 +/- 0.56  99.946% * 99.6258% (0.98  10.0   5.07  41.93) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  86  12.01 +/- 0.73   0.048% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  86  18.74 +/- 3.91   0.005% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  24.76 +/- 3.36   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  26.90 +/- 1.97   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  28.69 +/- 4.40   0.000% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.11 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   2.45 +/- 0.35  99.998% * 99.2823% (0.41  10.0   3.56  41.93) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  20.57 +/- 3.58   0.001% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  22.01 +/- 4.04   0.000% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  28.01 +/- 1.77   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  32.51 +/- 4.07   0.000% *  0.2095% (0.87   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 = 18.2:
      O   QB    SER   85 - HN    SER   85   2.14 +/- 0.06  99.131% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   5.32 +/- 0.80   0.539% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    SER   85   5.68 +/- 0.17   0.294% *  0.0201% (0.15   1.0   0.02   2.00) =   0.000%
          QB    SER   48 - HN    SER   85  11.33 +/- 2.95   0.028% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  13.87 +/- 2.86   0.005% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.73 +/- 1.29   0.000% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  15.22 +/- 2.72   0.002% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  27.48 +/- 4.05   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  29.48 +/- 1.46   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  30.86 +/- 1.57   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  33.11 +/- 2.45   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   3.61 +/- 0.02  99.905% * 99.3529% (0.49  10.0   3.27  20.73) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  13.24 +/- 1.79   0.057% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  15.11 +/- 2.02   0.029% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  19.78 +/- 2.96   0.007% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  28.65 +/- 2.46   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  24.05 +/- 1.10   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  28.97 +/- 2.85   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 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   2.63 +/- 0.10  99.379% * 95.9087% (1.00   3.87  20.73) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.31 +/- 0.47   0.615% *  0.2616% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    SER   85  17.45 +/- 1.29   0.001% *  0.4972% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  18.32 +/- 1.79   0.001% *  0.3799% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  18.44 +/- 2.20   0.001% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  23.83 +/- 3.27   0.000% *  0.4798% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  24.24 +/- 3.57   0.000% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  23.53 +/- 4.07   0.000% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  24.98 +/- 1.59   0.000% *  0.3216% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.36 +/- 3.19   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  23.71 +/- 2.29   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.48 +/- 2.66   0.000% *  0.2420% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  31.28 +/- 2.22   0.000% *  0.4459% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  27.43 +/- 3.49   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  29.27 +/- 1.76   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  31.47 +/- 3.30   0.000% *  0.2044% (0.41   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 = 4.03, residual support = 18.9:
      O   HA    ALA   84 - HN    ALA   84   2.79 +/- 0.04  99.943% * 99.3529% (0.49  10.0   4.03  18.90) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84  10.91 +/- 1.70   0.044% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  14.02 +/- 1.82   0.010% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  18.85 +/- 3.06   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  26.81 +/- 2.28   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  22.14 +/- 0.86   0.000% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  27.40 +/- 2.71   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 43.6:
          HB    VAL   83 - HN    ALA   84   3.14 +/- 0.30  99.858% * 97.8553% (0.99   5.35  43.59) = 100.000%  kept
          HB3   MET   92 - HN    ALA   84  13.44 +/- 3.40   0.113% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.43 +/- 0.93   0.010% *  0.1943% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  15.44 +/- 1.61   0.010% *  0.1519% (0.41   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.90 +/- 0.73   0.005% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  24.66 +/- 1.06   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  26.82 +/- 3.29   0.000% *  0.2682% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.85 +/- 4.33   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  28.79 +/- 2.86   0.000% *  0.3494% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  29.57 +/- 3.02   0.000% *  0.3661% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.72 +/- 4.32   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  32.02 +/- 2.57   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.37, residual support = 18.9:
      O   QB    ALA   84 - HN    ALA   84   2.03 +/- 0.06  96.855% * 99.0428% (0.87  10.0   4.37  18.90) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.17 +/- 0.80   3.143% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  15.82 +/- 1.23   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  16.34 +/- 1.98   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  16.22 +/- 1.58   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  23.00 +/- 3.44   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  22.28 +/- 2.96   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  21.69 +/- 2.09   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  25.10 +/- 2.72   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  22.86 +/- 1.41   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  22.05 +/- 3.77   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  25.59 +/- 3.38   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  26.91 +/- 1.69   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  30.20 +/- 3.02   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  29.79 +/- 2.10   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  28.16 +/- 2.50   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 = 0.689, support = 5.85, residual support = 43.2:
          QG1   VAL   83 - HN    ALA   84   4.06 +/- 0.51  85.224% * 93.3939% (0.69   5.91  43.59) =  99.055%  kept
          QD2   LEU   80 - HN    ALA   84   5.89 +/- 0.84  14.697% *  5.1635% (0.95   0.24   0.02) =   0.944%  kept
          QD1   LEU   73 - HN    ALA   84  14.35 +/- 1.65   0.059% *  0.2792% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  20.53 +/- 1.98   0.007% *  0.4249% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  18.77 +/- 1.40   0.011% *  0.2792% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  24.55 +/- 2.25   0.002% *  0.4593% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.45, residual support = 43.6:
          QG2   VAL   83 - HN    ALA   84   3.32 +/- 0.35  97.317% * 99.3118% (0.76   6.45  43.59) =  99.995%  kept
          QD1   ILE   89 - HN    ALA   84   6.26 +/- 0.51   2.625% *  0.1962% (0.49   0.02  11.20) =   0.005%
          QG2   VAL   43 - HN    ALA   84  12.58 +/- 2.04   0.049% *  0.0897% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  16.87 +/- 2.68   0.009% *  0.4022% (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 = 19.6:
          HB2   SER   82 - HN    VAL   83   3.25 +/- 0.29  99.501% * 97.0126% (0.75   4.10  19.63) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.74 +/- 0.92   0.445% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  13.35 +/- 2.14   0.041% *  0.3788% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  20.31 +/- 3.82   0.003% *  0.4637% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.01 +/- 1.81   0.007% *  0.1614% (0.26   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  20.74 +/- 1.71   0.002% *  0.4689% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  24.70 +/- 4.29   0.001% *  0.2489% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  26.40 +/- 3.63   0.001% *  0.4242% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  26.33 +/- 2.50   0.000% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  27.87 +/- 3.23   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 = 87.1:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.01  99.994% * 99.4506% (0.46  10.0   4.70  87.12) = 100.000%  kept
          HB2   CYS   53 - HN    VAL   83  16.64 +/- 1.19   0.003% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.01 +/- 2.11   0.002% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  21.19 +/- 3.50   0.001% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.22 +/- 1.42   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  27.68 +/- 3.54   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 = 87.1:
      O   HB    VAL   83 - HN    VAL   83   2.36 +/- 0.38  99.964% * 99.4176% (0.75  10.0   4.77  87.12) = 100.000%  kept
          HB3   MET   92 - HN    VAL   83  14.78 +/- 4.45   0.029% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  15.31 +/- 1.54   0.003% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.69 +/- 1.79   0.002% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.54 +/- 1.09   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.58 +/- 1.15   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  26.47 +/- 4.30   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  29.07 +/- 3.92   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  28.82 +/- 3.57   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.17 +/- 5.01   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.03 +/- 5.00   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  32.26 +/- 3.41   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 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   4.22 +/- 0.59  99.646% *  2.8578% (0.19   0.02   0.02) =  99.199%  kept
          HB3   LEU   73 - HN    VAL   83  15.73 +/- 2.55   0.104% *  9.9416% (0.65   0.02   0.02) =   0.361%
          HB3   LYS+  74 - HN    VAL   83  14.99 +/- 1.79   0.103% *  4.7118% (0.31   0.02   0.02) =   0.170%
          QB    LEU   98 - HN    VAL   83  20.46 +/- 3.61   0.024% *  7.8727% (0.52   0.02   0.02) =   0.066%
          HB    VAL   42 - HN    VAL   83  21.40 +/- 2.93   0.015% * 10.5799% (0.70   0.02   0.02) =   0.054%
          HB3   PRO   93 - HN    VAL   83  16.86 +/- 2.11   0.071% *  1.7684% (0.12   0.02   0.02) =   0.044%
          HG3   LYS+ 106 - HN    VAL   83  23.24 +/- 4.68   0.016% *  7.4142% (0.49   0.02   0.02) =   0.042%
          HG3   LYS+  33 - HN    VAL   83  24.28 +/- 3.84   0.007% * 11.0607% (0.73   0.02   0.02) =   0.027%
          HB2   LYS+ 112 - HN    VAL   83  26.31 +/- 3.46   0.004% *  8.7588% (0.58   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HN    VAL   83  26.87 +/- 1.93   0.002% * 10.5799% (0.70   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    VAL   83  27.18 +/- 2.60   0.002% * 10.5799% (0.70   0.02   0.02) =   0.008%
          HG3   LYS+ 102 - HN    VAL   83  29.80 +/- 4.14   0.002% *  9.5730% (0.63   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    VAL   83  29.88 +/- 4.19   0.002% *  4.3014% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 5 structures by 0.50 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.743, support = 5.3, residual support = 86.1:
          QG1   VAL   83 - HN    VAL   83   2.56 +/- 0.49  90.830% * 88.3325% (0.75   5.34  87.12) =  98.882%  kept
          QD2   LEU   80 - HN    VAL   83   4.74 +/- 0.80   8.137% * 11.1237% (0.31   1.62   0.02) =   1.116%  kept
          QG2   ILE   89 - HN    VAL   83   6.34 +/- 1.10   1.032% *  0.2025% (0.46   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   83  21.11 +/- 2.64   0.001% *  0.1253% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  24.37 +/- 3.07   0.000% *  0.2160% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.34, residual support = 87.1:
          QG2   VAL   83 - HN    VAL   83   3.27 +/- 0.71  98.563% * 99.4030% (0.74   5.34  87.12) =  99.995%  kept
          QD1   ILE   89 - HN    VAL   83   7.38 +/- 0.78   1.421% *  0.3666% (0.73   0.02   0.02) =   0.005%
          QD2   LEU   31 - HN    VAL   83  16.02 +/- 3.22   0.016% *  0.2304% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.31, residual support = 34.8:
      O   HB2   SER   82 - HN    SER   82   2.21 +/- 0.34  99.953% * 99.3063% (0.87  10.0   4.31  34.78) = 100.000%  kept
          HA    SER   48 - HN    SER   82  13.45 +/- 2.38   0.020% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   82   9.72 +/- 0.83   0.025% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  21.30 +/- 4.44   0.000% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  21.68 +/- 1.74   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  17.70 +/- 1.40   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  27.49 +/- 4.08   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  27.62 +/- 2.74   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  29.29 +/- 2.73   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  25.92 +/- 4.88   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  29.81 +/- 3.54   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.7, residual support = 34.8:
      O   HB3   SER   82 - HN    SER   82   3.05 +/- 0.33  99.933% * 99.2682% (0.69  10.0   3.70  34.78) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.67 +/- 0.42   0.062% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  18.66 +/- 1.71   0.003% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  26.94 +/- 3.33   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  28.89 +/- 3.56   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  22.21 +/- 3.98   0.001% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  29.04 +/- 3.45   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  29.02 +/- 2.63   0.000% *  0.1367% (0.95   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 = 5.11, residual support = 19.7:
          QB    LYS+  81 - HN    SER   82   3.08 +/- 0.16  99.912% * 96.7399% (0.97   5.11  19.66) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.10 +/- 1.17   0.036% *  0.3620% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  15.55 +/- 4.09   0.041% *  0.1472% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  20.47 +/- 3.83   0.004% *  0.3844% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  20.81 +/- 3.81   0.002% *  0.2063% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.70 +/- 1.97   0.001% *  0.3402% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  20.60 +/- 2.08   0.001% *  0.2848% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  23.13 +/- 3.32   0.001% *  0.3402% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  27.00 +/- 4.80   0.001% *  0.2694% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  28.12 +/- 3.90   0.000% *  0.2997% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  32.64 +/- 3.79   0.000% *  0.2848% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  32.50 +/- 2.14   0.000% *  0.2537% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.92 +/- 1.21   0.000% *  0.0873% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.11, residual support = 19.7:
          QG    LYS+  81 - HN    SER   82   4.39 +/- 0.18  99.979% * 98.7674% (0.25   5.11  19.66) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  20.77 +/- 1.99   0.010% *  0.7543% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  24.32 +/- 4.81   0.011% *  0.4783% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 0.895, support = 3.94, residual support = 15.8:
          QG1   VAL   83 - HN    SER   82   4.68 +/- 0.59  49.942% * 78.8001% (0.95   4.52  19.63) =  80.207%  kept
          QD2   LEU   80 - HN    SER   82   4.67 +/- 0.95  47.883% * 20.2769% (0.69   1.60   0.32) =  19.788%  kept
          QG2   ILE   89 - HN    SER   82   7.85 +/- 0.80   2.088% *  0.1258% (0.34   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    SER   82  14.80 +/- 2.46   0.073% *  0.1138% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  22.24 +/- 2.21   0.005% *  0.2386% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  20.13 +/- 1.98   0.009% *  0.1138% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  25.77 +/- 3.14   0.002% *  0.3308% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.35, residual support = 110.5:
      O   QB    LYS+  81 - HN    LYS+  81   2.26 +/- 0.19  99.987% * 99.1460% (0.97  10.0   5.35 110.48) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.67 +/- 1.32   0.009% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.29 +/- 3.36   0.003% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  18.95 +/- 2.78   0.001% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  20.57 +/- 3.03   0.000% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.70 +/- 1.56   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  20.78 +/- 3.73   0.000% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  23.09 +/- 3.18   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  27.43 +/- 4.08   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  27.98 +/- 2.99   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.53 +/- 1.23   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  32.70 +/- 3.33   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  31.69 +/- 1.70   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.98, residual support = 110.5:
          QG    LYS+  81 - HN    LYS+  81   2.57 +/- 0.47  99.994% * 98.9828% (0.97   5.98 110.48) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  15.29 +/- 1.30   0.005% *  0.1171% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  24.55 +/- 3.93   0.000% *  0.3168% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  25.54 +/- 3.81   0.000% *  0.3246% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.80 +/- 2.69   0.000% *  0.1059% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  29.45 +/- 3.44   0.000% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  31.09 +/- 2.91   0.000% *  0.0764% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.346, support = 5.62, residual support = 39.7:
          QD2   LEU   80 - HN    LYS+  81   4.28 +/- 0.95  21.921% * 77.5580% (0.53   5.90  39.66) =  51.555%  kept
          QD1   LEU   80 - HN    LYS+  81   3.33 +/- 0.87  78.021% * 20.4762% (0.15   5.31  39.66) =  48.445%  kept
          QD1   LEU   73 - HN    LYS+  81  14.73 +/- 2.32   0.034% *  0.4479% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  19.54 +/- 1.35   0.004% *  0.4479% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  18.60 +/- 2.74   0.008% *  0.1389% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  21.70 +/- 1.39   0.002% *  0.4172% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  21.55 +/- 1.51   0.002% *  0.2827% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  19.02 +/- 3.20   0.007% *  0.0771% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  25.72 +/- 2.49   0.001% *  0.1541% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.549, support = 2.62, residual support = 9.21:
          HB2   ASP-  76 - HN    GLU-  79   2.31 +/- 0.55  76.072% * 27.7358% (0.51   1.71   4.94) =  55.244%  kept
          HB2   ASP-  78 - HN    GLU-  79   3.08 +/- 0.59  23.921% * 71.4571% (0.60   3.75  14.49) =  44.756%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.97 +/- 1.40   0.006% *  0.0526% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  17.55 +/- 2.21   0.000% *  0.1598% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  19.23 +/- 2.02   0.000% *  0.1081% (0.17   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  20.83 +/- 1.59   0.000% *  0.2045% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.23 +/- 0.62   0.000% *  0.2822% (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 = 3.94, residual support = 53.4:
      O   HB2   GLU-  79 - HN    GLU-  79   2.46 +/- 0.37  99.990% * 98.3341% (0.09  10.0   3.94  53.41) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  14.04 +/- 1.82   0.006% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  14.51 +/- 1.62   0.003% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  20.98 +/- 0.91   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  22.46 +/- 1.09   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.48 +/- 1.71   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  28.75 +/- 1.25   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.8, residual support = 53.4:
      O   HB3   GLU-  79 - HN    GLU-  79   2.86 +/- 0.37  99.930% * 99.6469% (0.59  10.0   3.80  53.41) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.80 +/- 1.25   0.067% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  19.56 +/- 1.67   0.001% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  18.95 +/- 1.88   0.001% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  25.24 +/- 1.54   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  29.76 +/- 1.36   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 36.2:
      O   HB3   ASP-  78 - HN    ASP-  78   2.49 +/- 0.47  99.598% * 99.4250% (0.49  10.0   3.95  36.17) =  99.999%  kept
          QB    CYS   50 - HN    ASP-  78   7.83 +/- 1.24   0.245% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    ASP-  78   8.75 +/- 1.27   0.155% *  0.2002% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  16.53 +/- 0.74   0.002% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.76 +/- 0.48   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 = 0.97, support = 4.65, residual support = 33.9:
      O   HB2   ASP-  78 - HN    ASP-  78   2.69 +/- 0.41  75.332% * 81.6572% (0.98  10.0   4.61  36.17) =  93.212%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.50 +/- 0.66  24.656% * 18.1698% (0.84   1.0   5.22   3.05) =   6.788%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.28 +/- 1.30   0.010% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  18.87 +/- 1.75   0.001% *  0.0342% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  18.80 +/- 2.02   0.001% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  21.94 +/- 1.42   0.000% *  0.0438% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.55 +/- 0.47   0.000% *  0.0605% (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 = 4.58, residual support = 27.5:
      O   HA    THR   77 - HN    ASP-  78   3.55 +/- 0.04  99.872% * 99.9219% (0.92  10.0   4.58  27.48) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  12.04 +/- 1.32   0.098% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  14.47 +/- 1.64   0.028% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  21.98 +/- 1.54   0.002% *  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 = 2.34, residual support = 3.05:
          HA    ASP-  76 - HN    ASP-  78   3.77 +/- 0.21  99.998% * 99.6293% (0.95   2.34   3.05) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.26 +/- 0.98   0.002% *  0.3707% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.80 +/- 0.05  99.935% * 99.8846% (0.98  10.0   4.01  37.67) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  10.42 +/- 1.12   0.053% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  12.93 +/- 1.19   0.012% *  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 = 0.969, support = 3.57, residual support = 13.3:
          HB2   ASP-  76 - HN    THR   77   3.94 +/- 0.32  81.981% * 60.1814% (1.00   3.64  11.32) =  87.464%  kept
          HB2   ASP-  78 - HN    THR   77   5.20 +/- 0.49  17.998% * 39.2922% (0.76   3.10  27.48) =  12.536%  kept
          HB2   ASN   28 - HN    THR   77  17.68 +/- 1.21   0.011% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  20.66 +/- 1.36   0.005% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.51 +/- 0.52   0.001% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.25 +/- 1.20   0.004% *  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 = 11.3:
          HB3   ASP-  76 - HN    THR   77   4.35 +/- 0.29  95.181% * 95.2550% (0.57   3.64  11.32) =  99.979%  kept
          QG    GLN   90 - HN    THR   77   8.53 +/- 1.12   2.641% *  0.3155% (0.34   0.02   0.02) =   0.009%
          HG3   MET   92 - HN    THR   77  10.56 +/- 1.77   0.888% *  0.9250% (1.00   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    THR   77   9.31 +/- 0.53   1.111% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    THR   77  13.53 +/- 0.67   0.115% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  18.72 +/- 0.80   0.016% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.73 +/- 0.80   0.017% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  20.71 +/- 1.02   0.009% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.13 +/- 1.53   0.011% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.69 +/- 0.81   0.009% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  26.80 +/- 0.86   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.05 +/- 0.22  99.923% * 96.0741% (0.61   4.01  37.67) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   8.21 +/- 1.54   0.055% *  0.3252% (0.41   0.02   0.64) =   0.000%
          QB    ALA   88 - HN    THR   77  11.10 +/- 0.91   0.005% *  0.7482% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.30 +/- 0.59   0.016% *  0.1761% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.66 +/- 0.60   0.001% *  0.2441% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.22 +/- 2.05   0.000% *  0.5117% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  20.22 +/- 1.53   0.000% *  0.4478% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  25.48 +/- 0.91   0.000% *  0.7094% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  28.27 +/- 1.03   0.000% *  0.7634% (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 = 2.61, residual support = 3.83:
          QB    ALA   47 - HN    THR   77   4.93 +/- 1.12  98.400% * 98.6319% (0.90   2.61   3.83) =  99.992%  kept
          QG1   VAL   42 - HN    THR   77  11.99 +/- 0.45   0.769% *  0.6744% (0.80   0.02   0.02) =   0.005%
          QB    ALA   64 - HN    THR   77  12.65 +/- 0.70   0.771% *  0.3161% (0.38   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - HN    THR   77  18.88 +/- 2.36   0.060% *  0.3776% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 10 structures by 0.85 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.6:
      O   HA    VAL   75 - HN    VAL   75   2.94 +/- 0.00  99.944% * 99.8428% (0.97  10.0   5.27  84.60) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.85 +/- 0.76   0.043% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.64 +/- 0.64   0.010% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.37 +/- 0.84   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.866, support = 0.749, residual support = 0.748:
          HB2   ASP-  44 - HN    VAL   75   4.63 +/- 0.22  95.291% * 87.0932% (0.87   0.75   0.75) =  99.890%  kept
          HB3   PHE   72 - HN    VAL   75   8.00 +/- 0.43   3.952% *  2.0462% (0.76   0.02   0.02) =   0.097%
          QG    GLN   90 - HN    VAL   75  12.81 +/- 1.29   0.289% *  1.8392% (0.69   0.02   0.02) =   0.006%
          QG    GLU-  15 - HN    VAL   75  16.12 +/- 0.80   0.058% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  16.28 +/- 1.41   0.059% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  12.88 +/- 1.02   0.268% *  0.4689% (0.18   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    VAL   75  15.52 +/- 0.61   0.070% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.58 +/- 1.60   0.005% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  22.22 +/- 1.83   0.009% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.18 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 = 4.29, residual support = 30.7:
          HB3   LYS+  74 - HN    VAL   75   4.19 +/- 0.26  92.451% * 43.0041% (0.20   4.40  31.82) =  96.451%  kept
          HG    LEU   73 - HN    VAL   75   7.63 +/- 0.36   2.882% * 49.7600% (0.76   1.32   0.35) =   3.479%  kept
          HG    LEU   80 - HN    VAL   75  11.01 +/- 3.34   1.278% *  0.8560% (0.87   0.02   0.45) =   0.027%
          HB2   LEU   80 - HN    VAL   75   9.54 +/- 2.73   2.058% *  0.3366% (0.34   0.02   0.45) =   0.017%
          QB    ALA   61 - HN    VAL   75  10.07 +/- 0.73   0.624% *  0.9673% (0.98   0.02   0.02) =   0.015%
          HG12  ILE   19 - HN    VAL   75  11.37 +/- 0.68   0.273% *  0.7541% (0.76   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    VAL   75  12.32 +/- 1.79   0.194% *  0.8243% (0.84   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    VAL   75  15.23 +/- 1.31   0.049% *  0.9846% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.11 +/- 0.79   0.032% *  0.9109% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.49 +/- 1.05   0.064% *  0.2744% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  15.60 +/- 1.15   0.040% *  0.2744% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.70 +/- 1.11   0.039% *  0.1953% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.90 +/- 1.08   0.005% *  0.6384% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  20.46 +/- 1.85   0.009% *  0.2197% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.66, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   3.15 +/- 0.56  98.164% * 95.2073% (0.45   5.66  31.82) =  99.991%  kept
          QB    ALA   91 - HN    VAL   75   9.25 +/- 0.94   0.387% *  0.7238% (0.97   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    VAL   75   8.97 +/- 1.42   0.374% *  0.6505% (0.87   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    VAL   75   7.99 +/- 0.88   0.937% *  0.2558% (0.34   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    VAL   75  11.59 +/- 0.53   0.069% *  0.5152% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  13.17 +/- 0.82   0.026% *  0.5152% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  14.17 +/- 1.01   0.018% *  0.7238% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.76 +/- 1.09   0.022% *  0.3083% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.98 +/- 0.86   0.002% *  0.3650% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  23.17 +/- 1.13   0.001% *  0.7351% (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 = 0.94, support = 4.54, residual support = 83.9:
      O   HB    VAL   75 - HN    VAL   75   2.80 +/- 0.48  92.574% * 86.0279% (0.95  10.0   4.52  84.60) =  98.743%  kept
          HG3   LYS+  74 - HN    VAL   75   4.55 +/- 0.34   7.366% * 13.7587% (0.49   1.0   6.22  31.82) =   1.257%  kept
          QD1   LEU   67 - HN    VAL   75  12.05 +/- 1.37   0.026% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  13.00 +/- 0.93   0.013% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  14.59 +/- 0.78   0.007% *  0.0552% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.87 +/- 0.73   0.014% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.638, support = 0.682, residual support = 1.45:
          QG2   THR   46 - HN    VAL   75   4.11 +/- 0.67  75.911% * 20.3293% (0.69   0.40   1.95) =  70.403%  kept
          QD2   LEU   73 - HN    VAL   75   6.78 +/- 0.96   9.694% * 51.4616% (0.41   1.70   0.35) =  22.758%  kept
          QG1   VAL   43 - HN    VAL   75   6.96 +/- 1.03   4.857% * 16.8553% (0.97   0.24   0.02) =   3.735%  kept
          QG2   VAL   18 - HN    VAL   75   6.30 +/- 0.55   8.508% *  7.9268% (0.80   0.13   0.02) =   3.077%  kept
          QG1   VAL   41 - HN    VAL   75  12.23 +/- 0.58   0.136% *  1.4703% (1.00   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    VAL   75  10.35 +/- 0.52   0.396% *  0.5027% (0.34   0.02   0.02) =   0.009%
          QD1   ILE   56 - HN    VAL   75  11.06 +/- 1.37   0.388% *  0.2916% (0.20   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   75  13.70 +/- 1.78   0.086% *  0.8343% (0.57   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   75  16.68 +/- 0.93   0.023% *  0.3281% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.6:
          QG1   VAL   75 - HN    VAL   75   3.51 +/- 0.26  99.915% * 99.6866% (0.92   5.27  84.60) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.21 +/- 1.33   0.085% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 5.17, residual support = 84.6:
          QG2   VAL   75 - HN    VAL   75   2.86 +/- 0.65  99.578% * 99.5328% (0.49   5.17  84.60) =  99.999%  kept
          QD1   ILE   89 - HN    VAL   75  10.01 +/- 2.42   0.273% *  0.1973% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    VAL   75   9.54 +/- 0.83   0.148% *  0.2699% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.698, support = 4.44, residual support = 185.1:
      O   HB3   LYS+  74 - HN    LYS+  74   2.79 +/- 0.23  74.459% * 95.2912% (0.71  10.0   4.42 187.17) =  98.568%  kept
          HB3   LEU   73 - HN    LYS+  74   3.49 +/- 0.46  25.042% *  4.1158% (0.11   1.0   5.59  43.47) =   1.432%  kept
          HG12  ILE   19 - HN    LYS+  74   7.45 +/- 0.70   0.273% *  0.0579% (0.43   1.0   0.02   7.69) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  11.96 +/- 2.61   0.036% *  0.0922% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.97 +/- 0.79   0.088% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74  12.81 +/- 3.53   0.035% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.21 +/- 0.72   0.012% *  0.0828% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.57 +/- 0.61   0.027% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.19 +/- 1.54   0.004% *  0.0502% (0.37   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.11 +/- 1.50   0.010% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.33 +/- 1.17   0.008% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.86 +/- 1.52   0.002% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  14.54 +/- 1.44   0.004% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.90 +/- 1.95   0.001% *  0.0955% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 6.0, residual support = 43.5:
          QD2   LEU   73 - HN    LYS+  74   4.04 +/- 0.29  99.602% * 97.3639% (0.20   6.00  43.47) =  99.999%  kept
          QD1   ILE   56 - HN    LYS+  74  13.34 +/- 1.38   0.111% *  0.6141% (0.37   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+  74  11.37 +/- 1.31   0.259% *  0.2044% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  17.43 +/- 1.67   0.022% *  0.6608% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  21.04 +/- 1.32   0.006% *  1.1568% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.30 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.86, residual support = 43.5:
          HB2   LEU   73 - HN    LYS+  74   3.15 +/- 0.41  99.921% * 98.0120% (0.64   5.86  43.47) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  12.99 +/- 0.77   0.030% *  0.2112% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.83 +/- 1.28   0.013% *  0.3698% (0.70   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.51 +/- 0.95   0.010% *  0.2851% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.79 +/- 0.88   0.006% *  0.3722% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  15.11 +/- 1.07   0.010% *  0.1273% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.44 +/- 0.75   0.004% *  0.1673% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.62 +/- 2.11   0.002% *  0.2413% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.39 +/- 1.86   0.001% *  0.1400% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.34 +/- 0.77   0.003% *  0.0738% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.528, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HN    LYS+  74  10.54 +/- 0.48  27.768% * 15.4986% (0.71   0.02   0.02) =  45.419%  kept
          HB2   LEU   71 - HN    LYS+  74   9.45 +/- 0.62  52.383% *  5.8297% (0.27   0.02   0.02) =  32.228%  kept
          QB    LYS+  66 - HN    LYS+  74  14.39 +/- 0.50   4.302% * 14.9905% (0.68   0.02   0.02) =   6.805%  kept
          QB    LYS+  65 - HN    LYS+  74  13.28 +/- 0.53   6.997% *  6.3858% (0.29   0.02   0.02) =   4.716%  kept
          HG2   PRO   93 - HN    LYS+  74  15.41 +/- 0.85   2.932% * 11.8708% (0.54   0.02   0.02) =   3.674%  kept
          HG12  ILE  103 - HN    LYS+  74  16.13 +/- 1.02   2.317% * 14.6936% (0.67   0.02   0.02) =   3.593%  kept
          HB3   PRO   52 - HN    LYS+  74  17.71 +/- 1.65   1.582% * 11.2793% (0.51   0.02   0.02) =   1.883%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.01 +/- 0.63   1.109% *  8.1723% (0.37   0.02   0.02) =   0.956%  kept
          HG    LEU  123 - HN    LYS+  74  20.27 +/- 1.81   0.610% * 11.2793% (0.51   0.02   0.02) =   0.726%  kept
    Distance limit 4.51 A violated in 20 structures by 3.94 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.769, support = 4.98, residual support = 39.3:
          HB3   PHE   72 - HN    LEU   73   3.14 +/- 0.40  89.597% * 68.8935% (0.76   5.13  40.89) =  95.280%  kept
          HB2   ASP-  44 - HN    LEU   73   4.91 +/- 0.68  10.302% * 29.6817% (0.87   1.95   6.55) =   4.720%  kept
          QG    GLU-  15 - HN    LEU   73  11.84 +/- 1.18   0.044% *  0.3323% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    LEU   73  13.59 +/- 1.40   0.020% *  0.2934% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.26 +/- 0.80   0.021% *  0.1198% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  18.04 +/- 1.34   0.003% *  0.2413% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.86 +/- 1.85   0.006% *  0.0615% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  21.31 +/- 1.80   0.001% *  0.3150% (0.90   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.25 +/- 0.75   0.004% *  0.0615% (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 = 6.35, residual support = 173.8:
      O   HB2   LEU   73 - HN    LEU   73   3.44 +/- 0.41  99.695% * 99.3783% (0.99  10.0   6.35 173.81) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.97 +/- 0.84   0.044% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.05 +/- 0.98   0.038% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.52 +/- 0.82   0.097% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.27 +/- 0.77   0.017% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.78 +/- 0.88   0.022% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  17.60 +/- 1.93   0.012% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.18 +/- 0.78   0.042% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.02 +/- 0.69   0.012% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.58 +/- 1.20   0.019% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.60 +/- 1.93   0.003% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.417, support = 6.35, residual support = 166.5:
      O   HB3   LEU   73 - HN    LEU   73   3.14 +/- 0.48  81.387% * 62.6464% (0.41  10.0   6.48 173.81) =  95.574%  kept
          HB    VAL   42 - HN    LEU   73   4.55 +/- 0.78  15.077% * 12.9061% (0.49   1.0   3.48   1.20) =   3.647%  kept
          HB3   LYS+  74 - HN    LEU   73   6.26 +/- 0.54   1.762% * 23.5178% (0.87   1.0   3.56  43.47) =   0.777%  kept
          HG12  ILE   19 - HN    LEU   73   7.03 +/- 1.17   1.427% *  0.0424% (0.28   1.0   0.02   4.00) =   0.001%
          QB    LEU   98 - HN    LEU   73   8.91 +/- 0.63   0.220% *  0.1520% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  12.44 +/- 1.03   0.029% *  0.0863% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  13.11 +/- 1.18   0.020% *  0.0742% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  15.20 +/- 3.06   0.014% *  0.1047% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.83 +/- 2.05   0.007% *  0.1273% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.44 +/- 0.86   0.021% *  0.0339% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  17.28 +/- 1.34   0.004% *  0.1407% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  16.00 +/- 4.08   0.014% *  0.0302% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.24 +/- 1.24   0.012% *  0.0339% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.43 +/- 0.96   0.004% *  0.0572% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.98 +/- 0.89   0.002% *  0.0470% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 8.22, residual support = 172.3:
          QD2   LEU   73 - HN    LEU   73   2.48 +/- 0.37  93.852% * 83.2788% (0.98   8.25 173.81) =  99.089%  kept
          QG1   VAL   43 - HN    LEU   73   4.48 +/- 0.49   4.446% * 16.1423% (0.38   4.18   8.34) =   0.910%  kept
          QG2   VAL   18 - HN    LEU   73   5.48 +/- 0.69   1.505% *  0.0407% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   73   7.41 +/- 0.45   0.156% *  0.1166% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   73   9.95 +/- 1.09   0.028% *  0.2054% (1.00   0.02   1.33) =   0.000%
          QD1   ILE   56 - HN    LEU   73  12.11 +/- 1.20   0.012% *  0.1649% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.84 +/- 1.34   0.001% *  0.0513% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.568, support = 6.13, residual support = 166.6:
          QD1   LEU   73 - HN    LEU   73   4.03 +/- 0.14  75.424% * 82.9096% (0.57   6.35 173.81) =  95.847%  kept
          QG2   VAL   41 - HN    LEU   73   5.31 +/- 0.60  17.056% * 15.7708% (0.61   1.13   0.02) =   4.123%  kept
          QD1   LEU   63 - HN    LEU   73   7.27 +/- 0.83   2.992% *  0.2612% (0.57   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LEU   73   8.35 +/- 0.73   1.224% *  0.4614% (1.00   0.02   0.02) =   0.009%
          QD2   LEU   98 - HN    LEU   73   7.38 +/- 0.94   2.785% *  0.1897% (0.41   0.02   0.02) =   0.008%
          QD1   LEU   80 - HN    LEU   73  13.84 +/- 3.88   0.171% *  0.1897% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   73  12.70 +/- 3.45   0.238% *  0.1027% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   73  12.40 +/- 1.10   0.110% *  0.1150% (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 = 0.504, support = 1.14, residual support = 1.01:
          QG1   VAL   42 - HN    LEU   73   3.80 +/- 0.52  92.163% * 24.9893% (0.45   0.98   1.20) =  80.014%  kept
          QB    ALA   64 - HN    LEU   73   6.00 +/- 0.39   7.756% * 74.1651% (0.73   1.79   0.22) =  19.985%  kept
          QB    ALA   47 - HN    LEU   73  12.87 +/- 0.38   0.074% *  0.6458% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    LEU   73  19.48 +/- 1.38   0.007% *  0.1998% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.249, support = 1.85, residual support = 8.31:
          QG2   VAL   43 - HN    LEU   73   4.22 +/- 0.53  92.553% * 91.4316% (0.25   1.86   8.34) =  99.661%  kept
          QD2   LEU   31 - HN    LEU   73   7.29 +/- 1.09   7.080% *  3.9404% (1.00   0.02   1.33) =   0.329%
          QG2   VAL   83 - HN    LEU   73  13.08 +/- 1.96   0.187% *  2.8613% (0.73   0.02   0.02) =   0.006%
          QD1   ILE   89 - HN    LEU   73  13.95 +/- 2.61   0.179% *  1.7666% (0.45   0.02   0.02) =   0.004%
    Distance limit 4.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.02, residual support = 90.8:
      O   HB2   PHE   72 - HN    PHE   72   2.46 +/- 0.49  98.801% * 99.7503% (0.53  10.0   5.02  90.77) =  99.998%  kept
          HA    ALA   64 - HN    PHE   72   5.73 +/- 0.64   1.155% *  0.1830% (0.97   1.0   0.02  38.77) =   0.002%
          HB3   ASN   69 - HN    PHE   72  10.00 +/- 0.36   0.040% *  0.0293% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.98 +/- 0.85   0.004% *  0.0375% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.3, residual support = 90.8:
      O   HB3   PHE   72 - HN    PHE   72   3.32 +/- 0.42  98.294% * 99.3598% (0.76  10.0   5.30  90.77) =  99.998%  kept
          QG    GLU-  15 - HN    PHE   72   8.05 +/- 1.36   0.925% *  0.1230% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    PHE   72   8.40 +/- 0.79   0.538% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.41 +/- 1.39   0.194% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.45 +/- 0.99   0.019% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.83 +/- 1.51   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.68 +/- 1.72   0.019% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  21.72 +/- 1.36   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.35 +/- 0.74   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.983, support = 3.57, residual support = 16.9:
          HG    LEU   71 - HN    PHE   72   4.91 +/- 0.62  24.579% * 90.1401% (0.99   4.08  19.45) =  86.742%  kept
          HG13  ILE   19 - HN    PHE   72   4.02 +/- 0.78  69.766% *  4.6144% (0.95   0.22   0.02) =  12.604%  kept
          QG2   THR   39 - HN    PHE   72   6.52 +/- 0.93   4.712% *  3.4630% (0.65   0.24   0.02) =   0.639%  kept
          HG2   LYS+  74 - HN    PHE   72   9.23 +/- 1.08   0.746% *  0.4452% (1.00   0.02   0.02) =   0.013%
          HG3   LYS+  99 - HN    PHE   72  12.88 +/- 1.22   0.068% *  0.4462% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  12.83 +/- 1.17   0.081% *  0.0993% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  16.74 +/- 0.85   0.016% *  0.2886% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.11 +/- 1.10   0.026% *  0.1675% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  22.18 +/- 2.81   0.004% *  0.1834% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.34 +/- 1.95   0.003% *  0.1522% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.953, support = 5.27, residual support = 19.7:
          QD2   LEU   71 - HN    PHE   72   3.31 +/- 0.16  80.911% * 91.1928% (0.97   5.34  19.45) =  98.153%  kept
          QD1   LEU   67 - HN    PHE   72   5.90 +/- 1.92  18.059% *  7.6831% (0.31   1.41  35.23) =   1.846%  kept
          QD2   LEU   40 - HN    PHE   72   7.79 +/- 0.85   0.730% *  0.0983% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72   9.22 +/- 0.89   0.228% *  0.1861% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    PHE   72  12.76 +/- 1.15   0.030% *  0.3414% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.23 +/- 0.85   0.023% *  0.3529% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.53 +/- 0.49   0.019% *  0.1454% (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 = 0.396, support = 1.75, residual support = 11.2:
          HA    VAL   18 - HN    PHE   72   3.76 +/- 0.70  88.979% * 31.0844% (0.31   1.82   5.97) =  82.100%  kept
          HA    VAL   70 - HN    PHE   72   5.82 +/- 0.18   9.218% * 65.2882% (0.80   1.47  35.30) =  17.865%  kept
          HA1   GLY   16 - HN    PHE   72   8.09 +/- 1.02   1.225% *  0.5833% (0.53   0.02   0.02) =   0.021%
          HB2   SER   37 - HN    PHE   72  10.47 +/- 1.15   0.376% *  0.9618% (0.87   0.02   0.02) =   0.011%
          HA    LYS+  33 - HN    PHE   72  12.47 +/- 1.02   0.126% *  0.5397% (0.49   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    PHE   72  14.00 +/- 0.76   0.061% *  0.3782% (0.34   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    PHE   72  17.73 +/- 0.80   0.012% *  0.8878% (0.80   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    PHE   72  23.13 +/- 2.91   0.003% *  0.2765% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.26, residual support = 32.8:
          HB    VAL   70 - HN    LEU   71   4.07 +/- 0.10  96.064% * 98.9318% (0.98   6.26  32.76) =  99.995%  kept
          HB2   LYS+  38 - HN    LEU   71  10.14 +/- 1.46   2.356% *  0.0897% (0.28   0.02   0.02) =   0.002%
          QG    GLN   17 - HN    LEU   71  10.07 +/- 1.15   0.558% *  0.3218% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  11.00 +/- 0.62   0.269% *  0.2087% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71   9.49 +/- 0.95   0.726% *  0.0718% (0.22   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    LEU   71  17.41 +/- 0.67   0.016% *  0.3197% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  18.80 +/- 0.66   0.010% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 6.38, residual support = 138.7:
      O   HB2   LEU   71 - HN    LEU   71   2.64 +/- 0.41  98.968% * 99.5111% (0.98  10.0   6.38 138.70) =  99.999%  kept
          HB    VAL   41 - HN    LEU   71   6.28 +/- 0.45   0.913% *  0.0455% (0.45   1.0   0.02   3.04) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.09 +/- 0.63   0.045% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  11.85 +/- 0.81   0.019% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.61 +/- 0.58   0.019% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.51 +/- 1.02   0.025% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.69 +/- 0.77   0.010% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.39 +/- 0.83   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.977, support = 5.65, residual support = 133.0:
          HG    LEU   71 - HN    LEU   71   3.85 +/- 0.75  35.544% * 96.0437% (0.99   5.89 138.70) =  95.861%  kept
          QG2   THR   39 - HN    LEU   71   3.38 +/- 0.90  63.108% *  2.3294% (0.65   0.22   0.22) =   4.128%  kept
          HG13  ILE   19 - HN    LEU   71   6.99 +/- 0.72   0.897% *  0.3115% (0.95   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    LEU   71   8.88 +/- 1.37   0.304% *  0.3293% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    LEU   71  11.17 +/- 1.14   0.116% *  0.1236% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LEU   71  13.00 +/- 1.05   0.019% *  0.3285% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  14.67 +/- 1.03   0.009% *  0.0733% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  18.82 +/- 0.94   0.002% *  0.2130% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.09 +/- 2.05   0.001% *  0.1123% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  24.54 +/- 2.85   0.000% *  0.1354% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.909, support = 5.88, residual support = 84.8:
          QG1   VAL   70 - HN    LEU   71   3.88 +/- 0.23  48.134% * 51.8561% (0.98   5.67  32.76) =  50.896%  kept
          QD1   LEU   71 - HN    LEU   71   3.84 +/- 0.59  50.646% * 47.5451% (0.84   6.10 138.70) =  49.100%  kept
          QG1   VAL   18 - HN    LEU   71   8.01 +/- 0.78   0.698% *  0.1867% (1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU   71   9.12 +/- 0.89   0.370% *  0.1283% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  11.80 +/- 1.44   0.091% *  0.1560% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  12.37 +/- 0.93   0.054% *  0.0909% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.03 +/- 0.48   0.007% *  0.0370% (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 = 6.46, residual support = 32.8:
          QG2   VAL   70 - HN    LEU   71   2.23 +/- 0.15 100.000% *100.0000% (0.73   6.46  32.76) = 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 = 81.4:
      O   HB    VAL   70 - HN    VAL   70   2.62 +/- 0.27  99.772% * 99.6297% (0.76  10.0   4.31  81.43) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.52 +/- 1.12   0.167% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  11.87 +/- 1.65   0.055% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.39 +/- 0.64   0.004% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  20.95 +/- 0.86   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.30 +/- 1.56   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.743, support = 0.444, residual support = 1.85:
          HB3   LEU   67 - HN    VAL   70   3.72 +/- 0.67  77.078% * 15.6681% (0.87   0.24   0.41) =  66.117%  kept
          HG    LEU   67 - HN    VAL   70   5.19 +/- 1.15  17.481% * 30.9414% (0.49   0.83   0.41) =  29.613%  kept
          HG    LEU   40 - HN    VAL   70   7.55 +/- 0.51   1.677% * 44.7479% (0.61   0.97  35.25) =   4.108%  kept
          HG12  ILE   19 - HN    VAL   70   7.83 +/- 1.49   2.996% *  0.6262% (0.41   0.02   0.02) =   0.103%
          QG    LYS+  66 - HN    VAL   70   9.19 +/- 0.58   0.423% *  1.4930% (0.98   0.02   0.02) =   0.035%
          HG    LEU   73 - HN    VAL   70  11.04 +/- 0.59   0.170% *  1.5097% (0.99   0.02   0.02) =   0.014%
          QB    ALA   61 - HN    VAL   70  11.47 +/- 0.58   0.146% *  1.1061% (0.73   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    VAL   70  16.78 +/- 0.90   0.012% *  1.4409% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.83 +/- 1.13   0.010% *  0.9239% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  19.23 +/- 1.21   0.006% *  0.7414% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  25.03 +/- 3.60   0.002% *  0.8014% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.82, residual support = 81.2:
          QG1   VAL   70 - HN    VAL   70   2.50 +/- 0.46  99.083% * 53.2443% (0.92   4.82  81.43) =  99.421%  kept
          QD1   LEU   71 - HN    VAL   70   6.21 +/- 1.03   0.667% * 46.0356% (1.00   3.85  32.76) =   0.578%  kept
          QG1   VAL   18 - HN    VAL   70   8.92 +/- 0.77   0.095% *  0.1997% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  10.31 +/- 1.42   0.042% *  0.2391% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.74 +/- 0.96   0.107% *  0.0816% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.81 +/- 1.01   0.006% *  0.1997% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 81.4:
          QG2   VAL   70 - HN    VAL   70   3.77 +/- 0.05 100.000% *100.0000% (0.98   3.89  81.43) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.98, residual support = 60.1:
      O   HB2   ASN   69 - HD22  ASN   69   3.80 +/- 0.26  98.414% * 99.7633% (0.55  10.0   2.98  60.05) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   69  12.91 +/- 2.96   1.059% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HD22  ASN   69  11.12 +/- 2.71   0.521% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.41 +/- 1.19   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.11 +/- 1.58   0.004% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.93 +/- 1.11   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.559, support = 3.24, residual support = 25.5:
          QG1   VAL   70 - HD22  ASN   69   3.83 +/- 1.57  80.093% * 92.1380% (0.56   3.29  25.96) =  98.403%  kept
          QD1   LEU   71 - HD22  ASN   69   8.08 +/- 2.31  19.507% *  6.1315% (0.53   0.23   0.02) =   1.595%  kept
          QD1   LEU  123 - HD22  ASN   69  10.46 +/- 2.46   0.200% *  0.5308% (0.53   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.36 +/- 0.91   0.067% *  0.5415% (0.54   0.02   0.02) =   0.000%
          HB3   LEU   63 - HD22  ASN   69  11.42 +/- 2.05   0.096% *  0.2952% (0.30   0.02   0.02) =   0.000%
          HB3   LEU  104 - HD22  ASN   69  13.16 +/- 1.98   0.037% *  0.3630% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.14, residual support = 3.14:
          HA    LEU   67 - HN    ASN   69   4.03 +/- 0.57 100.000% *100.0000% (0.92   3.14   3.14) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.09, residual support = 34.8:
          HD2   PRO   68 - HN    ASN   69   2.84 +/- 0.64  99.978% * 99.1998% (0.80   6.09  34.80) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  13.00 +/- 0.73   0.019% *  0.3846% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  19.40 +/- 0.67   0.002% *  0.2630% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  20.18 +/- 0.48   0.002% *  0.1526% (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 = 6.09, residual support = 34.8:
          HD3   PRO   68 - HN    ASN   69   3.51 +/- 0.58  99.984% * 98.4948% (0.99   6.09  34.80) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  17.10 +/- 0.76   0.010% *  0.2492% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.84 +/- 0.58   0.002% *  0.3147% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  23.25 +/- 0.91   0.002% *  0.3147% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  25.25 +/- 0.74   0.001% *  0.3254% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.36 +/- 1.42   0.001% *  0.3011% (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 = 0.599, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   9.70 +/- 1.31  26.624% * 39.8620% (0.87   0.02   0.02) =  49.900%  kept
          HA    ALA   64 - HN    ASN   69   7.87 +/- 0.73  72.596% * 14.1837% (0.31   0.02   0.02) =  48.414%  kept
          HB3   ASN   35 - HN    ASN   69  17.07 +/- 1.17   0.781% * 45.9543% (1.00   0.02   0.02) =   1.687%  kept
    Distance limit 3.87 A violated in 20 structures by 3.50 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 = 25.9:
          HB    VAL   70 - HN    ASN   69   4.43 +/- 0.30  97.879% * 89.1826% (0.15   3.84  25.96) =  99.969%  kept
          HB2   LYS+  38 - HN    ASN   69  12.22 +/- 1.70   0.600% *  2.9816% (0.99   0.02   0.02) =   0.020%
          QG    GLN   17 - HN    ASN   69   9.67 +/- 1.22   1.358% *  0.5953% (0.20   0.02   0.02) =   0.009%
          QB    GLU-  36 - HN    ASN   69  14.28 +/- 1.53   0.133% *  0.5268% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ASN   69  21.66 +/- 1.41   0.008% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.81 +/- 1.12   0.013% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  23.59 +/- 0.74   0.005% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  31.42 +/- 0.73   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.44 +/- 1.43   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.79, support = 6.03, residual support = 34.8:
      O   HB3   PRO   68 - HN    ASN   69   4.00 +/- 0.29  11.568% * 95.4467% (0.99  10.0   6.04  34.80) =  76.553%  kept
          HG2   PRO   68 - HN    ASN   69   2.75 +/- 0.73  85.945% *  3.9329% (0.14   1.0   6.04  34.80) =  23.435%  kept
          QB    GLU-  15 - HN    ASN   69   6.12 +/- 1.23   2.373% *  0.0699% (0.73   1.0   0.02   0.02) =   0.012%
          HB2   GLN   17 - HN    ASN   69  11.89 +/- 0.87   0.029% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.17 +/- 0.69   0.047% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  14.93 +/- 1.43   0.009% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.13 +/- 1.28   0.010% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  15.03 +/- 1.34   0.010% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  16.04 +/- 1.34   0.005% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  24.30 +/- 2.15   0.000% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  20.29 +/- 1.24   0.001% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.09 +/- 0.86   0.000% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.76 +/- 0.97   0.001% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.32 +/- 0.89   0.000% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.63, residual support = 34.8:
          HG3   PRO   68 - HN    ASN   69   3.76 +/- 0.27  99.587% * 92.9277% (0.38   5.63  34.80) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  11.81 +/- 1.44   0.210% *  0.8317% (0.95   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ASN   69  12.18 +/- 1.10   0.112% *  0.5332% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  14.52 +/- 1.01   0.036% *  0.7040% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  15.99 +/- 1.28   0.022% *  0.4279% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  17.09 +/- 0.89   0.013% *  0.7040% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.86 +/- 1.17   0.004% *  0.8772% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  18.51 +/- 0.73   0.008% *  0.3942% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  19.13 +/- 0.75   0.006% *  0.3614% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.81 +/- 1.09   0.001% *  0.3942% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  26.42 +/- 0.80   0.001% *  0.5687% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  29.10 +/- 1.55   0.001% *  0.6719% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  31.29 +/- 0.93   0.000% *  0.6039% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.45, residual support = 26.0:
          QG1   VAL   70 - HN    ASN   69   3.37 +/- 0.66  97.066% * 97.9049% (0.73   4.45  25.96) =  99.990%  kept
          QD1   LEU   71 - HN    ASN   69   8.00 +/- 1.15   2.399% *  0.2949% (0.49   0.02   0.02) =   0.007%
          HB3   LEU   63 - HN    ASN   69  10.15 +/- 1.03   0.177% *  0.5846% (0.97   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.96 +/- 0.70   0.127% *  0.5060% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69   9.98 +/- 1.37   0.203% *  0.2949% (0.49   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  14.42 +/- 1.12   0.026% *  0.1199% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.53 +/- 0.68   0.003% *  0.2949% (0.49   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 = 0.582, support = 4.03, residual support = 21.4:
          HD2   PRO   68 - HN    LEU   67   4.46 +/- 0.56   5.377% * 94.9190% (1.00   3.99  17.20) =  56.429%  kept
          HA    VAL   24 - HE3   TRP   27   2.16 +/- 0.97  94.351% *  4.1751% (0.04   4.09  26.78) =  43.557%  kept
          HA    ALA   61 - HN    LEU   67   7.99 +/- 0.52   0.259% *  0.4600% (0.97   0.02   0.02) =   0.013%
          HD3   PRO   58 - HN    LEU   67  14.02 +/- 0.79   0.008% *  0.1471% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  16.53 +/- 0.83   0.002% *  0.0578% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  19.17 +/- 1.14   0.001% *  0.1626% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  19.59 +/- 1.25   0.002% *  0.0598% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.96 +/- 0.96   0.001% *  0.0185% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.36, residual support = 17.2:
          HD3   PRO   68 - HN    LEU   67   4.09 +/- 0.52  99.653% * 97.4247% (0.76   4.36  17.20) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  12.02 +/- 0.92   0.181% *  0.2405% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  17.17 +/- 0.73   0.022% *  0.4019% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.58 +/- 1.17   0.016% *  0.5534% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.01 +/- 1.42   0.006% *  0.5735% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.94 +/- 0.96   0.007% *  0.4685% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  16.47 +/- 1.36   0.036% *  0.0696% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.36 +/- 1.18   0.034% *  0.0589% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.45 +/- 1.15   0.013% *  0.0505% (0.09   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  19.77 +/- 1.34   0.011% *  0.0562% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.86 +/- 1.00   0.019% *  0.0302% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  23.63 +/- 1.71   0.004% *  0.0721% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.62, support = 1.96, residual support = 5.48:
          HA    ALA   64 - HN    LEU   67   3.81 +/- 0.38  91.766% * 23.2928% (0.65   1.17   3.82) =  77.493%  kept
          QE    LYS+  66 - HN    LEU   67   5.91 +/- 0.47   8.164% * 76.0372% (0.53   4.69  11.16) =  22.507%  kept
          HB3   ASN   35 - HN    LEU   67  20.64 +/- 0.92   0.004% *  0.5145% (0.84   0.02   0.02) =   0.000%
          HB3   ASN   35 - HE3   TRP   27  14.83 +/- 1.25   0.032% *  0.0647% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  14.95 +/- 0.93   0.029% *  0.0501% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.67 +/- 1.13   0.004% *  0.0407% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.99, residual support = 60.4:
      O   HB2   LEU   67 - HN    LEU   67   2.69 +/- 0.28  98.740% * 99.1951% (0.61  10.0   4.99  60.38) =  99.999%  kept
          HG2   PRO   68 - HN    LEU   67   6.34 +/- 0.48   0.784% *  0.1058% (0.65   1.0   0.02  17.20) =   0.001%
          HB    VAL   18 - HN    LEU   67   9.08 +/- 0.91   0.106% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.07 +/- 0.94   0.027% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   7.59 +/- 0.68   0.249% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   9.89 +/- 0.93   0.064% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.81 +/- 0.76   0.004% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.68 +/- 1.53   0.004% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.93 +/- 1.42   0.002% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.77 +/- 0.93   0.013% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  16.24 +/- 1.09   0.003% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.25 +/- 0.85   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.67 +/- 0.90   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.67 +/- 1.43   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  23.82 +/- 0.91   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  20.81 +/- 1.31   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.59 +/- 0.91   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.97 +/- 1.30   0.000% *  0.0032% (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 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 4.58, residual support = 10.8:
          QB    LYS+  66 - HN    LEU   67   3.22 +/- 0.67  87.893% * 77.8109% (0.95   4.67  11.16) =  97.039%  kept
          QB    LYS+  65 - HN    LEU   67   4.96 +/- 0.39  10.359% * 20.1287% (0.76   1.50   0.02) =   2.959%  kept
          HG    LEU  123 - HN    LEU   67   9.78 +/- 1.54   0.345% *  0.1322% (0.38   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   67   9.43 +/- 1.04   0.429% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.72 +/- 0.61   0.094% *  0.2558% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.44 +/- 1.46   0.562% *  0.0355% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27  10.60 +/- 1.84   0.200% *  0.0322% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.59 +/- 0.91   0.019% *  0.2820% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  16.58 +/- 1.23   0.006% *  0.3055% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.43 +/- 1.39   0.046% *  0.0286% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  19.24 +/- 1.21   0.003% *  0.3491% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.85 +/- 1.89   0.003% *  0.2278% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.27 +/- 1.46   0.013% *  0.0384% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.69 +/- 1.11   0.008% *  0.0439% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.20 +/- 1.48   0.002% *  0.1322% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.96 +/- 1.06   0.004% *  0.0419% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  18.09 +/- 0.65   0.004% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  19.68 +/- 1.87   0.004% *  0.0166% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  17.20 +/- 0.96   0.006% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.95 +/- 1.72   0.001% *  0.0166% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.707, support = 5.37, residual support = 58.3:
          HG    LEU   67 - HN    LEU   67   3.43 +/- 0.99  51.782% * 43.5083% (1.00   1.0   5.60  60.38) =  60.187%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.57 +/- 0.30  34.353% * 38.8210% (0.25  10.0   4.99  60.38) =  35.627%  kept
          QG    LYS+  66 - HN    LEU   67   4.42 +/- 0.23   9.370% * 16.7109% (0.41   1.0   5.22  11.16) =   4.183%  kept
          HG    LEU   73 - HE3   TRP   27   5.69 +/- 0.97   3.822% *  0.0119% (0.08   1.0   0.02  33.80) =   0.001%
          HG    LEU   40 - HN    LEU   67   9.77 +/- 1.27   0.119% *  0.1543% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   8.93 +/- 1.08   0.174% *  0.0698% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   8.09 +/- 0.47   0.276% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.69 +/- 1.10   0.025% *  0.1069% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  13.03 +/- 0.64   0.015% *  0.0944% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  14.53 +/- 1.97   0.008% *  0.1543% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.59 +/- 1.39   0.007% *  0.1069% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.96 +/- 1.73   0.014% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  19.41 +/- 1.89   0.001% *  0.1131% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.29 +/- 1.19   0.011% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  17.06 +/- 1.32   0.003% *  0.0195% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.29 +/- 1.59   0.004% *  0.0142% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.44 +/- 0.96   0.002% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  16.36 +/- 1.51   0.005% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.09 +/- 1.69   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  15.35 +/- 0.72   0.005% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.51 +/- 0.70   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  19.25 +/- 1.02   0.001% *  0.0080% (0.05   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 = 0.309, support = 4.2, residual support = 60.4:
          QD1   LEU   67 - HN    LEU   67   3.67 +/- 0.58  94.845% * 93.2306% (0.31   4.20  60.38) =  99.958%  kept
          QG2   ILE  119 - HN    LEU   67   8.30 +/- 1.13   1.221% *  1.3892% (0.97   0.02   0.02) =   0.019%
          QD2   LEU   71 - HN    LEU   67   8.61 +/- 0.94   0.956% *  1.3892% (0.97   0.02   0.02) =   0.015%
          QD2   LEU   40 - HN    LEU   67   8.99 +/- 1.23   0.689% *  0.4002% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   71 - HE3   TRP   27  10.15 +/- 1.81   1.342% *  0.1746% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HN    LEU   67  13.50 +/- 1.50   0.067% *  0.7573% (0.53   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  10.56 +/- 1.01   0.272% *  0.1805% (0.13   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  15.90 +/- 1.68   0.022% *  1.4362% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  11.12 +/- 1.03   0.193% *  0.0952% (0.07   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.91 +/- 1.44   0.028% *  0.5918% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  11.30 +/- 1.07   0.192% *  0.0503% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.34 +/- 0.86   0.097% *  0.0744% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  13.26 +/- 1.08   0.067% *  0.0558% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.79 +/- 0.88   0.010% *  0.1746% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.13, residual support = 26.3:
      O   HA    LYS+  65 - HN    LYS+  66   3.57 +/- 0.06  97.262% * 98.9277% (0.61  10.0   6.13  26.27) =  99.997%  kept
          HA2   GLY   16 - HN    LYS+  66   7.08 +/- 0.85   2.512% *  0.1120% (0.69   1.0   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    LYS+  66  10.84 +/- 1.07   0.149% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.45 +/- 0.97   0.038% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.35 +/- 0.87   0.025% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.88 +/- 0.66   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  19.88 +/- 2.21   0.005% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.16 +/- 0.61   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  28.15 +/- 1.67   0.000% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 1.6, residual support = 5.33:
          HA    LEU   63 - HN    LYS+  66   3.49 +/- 0.20  99.996% * 98.5865% (0.99   1.60   5.33) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.44 +/- 0.85   0.002% *  0.8553% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.06 +/- 0.97   0.002% *  0.5582% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 4.12, residual support = 22.4:
          HA    ALA   64 - HN    LYS+  66   4.25 +/- 0.34  65.400% * 75.2528% (0.95   3.90   6.73) =  85.683%  kept
          QE    LYS+  66 - HN    LYS+  66   4.86 +/- 0.61  33.620% * 24.4582% (0.22   5.39 116.05) =  14.316%  kept
          HB2   PHE   72 - HN    LYS+  66   8.56 +/- 0.61   0.977% *  0.0907% (0.22   0.02   0.12) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  22.88 +/- 0.77   0.003% *  0.1983% (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 = 0.692, support = 5.16, residual support = 104.3:
      O   QB    LYS+  66 - HN    LYS+  66   2.36 +/- 0.28  75.368% * 68.1635% (0.65  10.0   5.03 116.05) =  86.927%  kept
          QB    LYS+  65 - HN    LYS+  66   2.88 +/- 0.21  24.607% * 31.3984% (0.99   1.0   6.01  26.27) =  13.073%  kept
          HB3   GLN   17 - HN    LYS+  66   9.85 +/- 0.74   0.018% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.62 +/- 0.71   0.004% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.09 +/- 0.62   0.001% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  17.95 +/- 0.72   0.000% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.77 +/- 1.07   0.000% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.86 +/- 1.33   0.000% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.309, support = 4.23, residual support = 93.3:
          QG    LYS+  66 - HN    LYS+  66   2.95 +/- 0.52  92.582% * 21.2167% (0.15   4.59 116.05) =  78.313%  kept
          HG    LEU   67 - HN    LYS+  66   5.65 +/- 1.00   7.182% * 75.7231% (0.87   2.92  11.16) =  21.682%  kept
          QB    ALA  120 - HN    LYS+  66  10.86 +/- 0.92   0.063% *  0.5779% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  10.90 +/- 0.69   0.051% *  0.4795% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.44 +/- 0.79   0.042% *  0.4576% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  12.77 +/- 1.03   0.023% *  0.5779% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.96 +/- 1.62   0.028% *  0.4576% (0.76   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+  66  14.04 +/- 0.63   0.012% *  0.1665% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.28 +/- 0.60   0.015% *  0.1185% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  20.99 +/- 1.49   0.001% *  0.2247% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.04, residual support = 6.73:
          QB    ALA   64 - HN    LYS+  66   4.48 +/- 0.16 100.000% *100.0000% (0.95   3.04   6.73) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 165.7:
      O   HA    LYS+  65 - HN    LYS+  65   2.82 +/- 0.04  99.286% * 99.3218% (0.64  10.0   6.09 165.66) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   6.70 +/- 0.70   0.684% *  0.1038% (0.67   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  12.58 +/- 0.98   0.014% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.19 +/- 0.76   0.004% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  17.91 +/- 2.31   0.002% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.79 +/- 0.59   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.09 +/- 0.74   0.004% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.35 +/- 0.65   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.73 +/- 0.91   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  26.55 +/- 1.55   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.96 +/- 0.65   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  28.12 +/- 1.22   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 = 4.74, residual support = 28.1:
      O   HA    ALA   64 - HN    LYS+  65   3.58 +/- 0.04  95.030% * 99.9016% (0.65  10.0   4.74  28.07) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.68 +/- 0.81   3.491% *  0.0235% (0.15   1.0   0.02  26.27) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.41 +/- 0.61   1.478% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  23.08 +/- 0.86   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 6.69, residual support = 165.7:
      O   QB    LYS+  65 - HN    LYS+  65   2.20 +/- 0.15  98.351% * 99.2272% (0.53  10.0   6.69 165.66) =  99.998%  kept
          QB    LYS+  66 - HN    LYS+  65   4.53 +/- 0.31   1.585% *  0.1228% (0.65   1.0   0.02  26.27) =   0.002%
          HB3   GLN   17 - HN    LYS+  65   8.29 +/- 0.83   0.047% *  0.0289% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  10.68 +/- 1.25   0.011% *  0.0487% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.42 +/- 0.73   0.004% *  0.0943% (0.50   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.02 +/- 0.59   0.001% *  0.1040% (0.55   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.57 +/- 1.12   0.001% *  0.1287% (0.68   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  18.82 +/- 0.65   0.000% *  0.1126% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.20 +/- 1.25   0.000% *  0.0840% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.07 +/- 1.23   0.000% *  0.0487% (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 = 0.138, support = 5.36, residual support = 164.4:
          HG2   LYS+  65 - HN    LYS+  65   3.04 +/- 0.53  98.156% * 63.6390% (0.14   5.39 165.66) =  99.229%  kept
          HG    LEU   67 - HN    LYS+  65   6.89 +/- 1.08   1.566% * 30.8744% (0.36   0.98   0.02) =   0.768%  kept
          HB3   LEU   40 - HN    LYS+  65  11.77 +/- 0.93   0.054% *  1.1895% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.20 +/- 0.85   0.039% *  1.1277% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  12.63 +/- 1.10   0.035% *  1.1277% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.23 +/- 0.42   0.059% *  0.5803% (0.34   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  65  12.75 +/- 1.42   0.033% *  0.4901% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.32 +/- 0.77   0.032% *  0.4901% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.45 +/- 1.52   0.017% *  0.1839% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.30 +/- 0.58   0.009% *  0.2973% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.229, support = 4.79, residual support = 137.5:
          HG3   LYS+  65 - HN    LYS+  65   3.58 +/- 0.59  84.185% * 43.8360% (0.17   5.35 165.66) =  82.828%  kept
          HB2   LEU   63 - HN    LYS+  65   5.00 +/- 0.18  15.104% * 50.6383% (0.50   2.12   1.82) =  17.166%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.21 +/- 0.74   0.218% *  0.5494% (0.58   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LYS+  65   9.50 +/- 0.84   0.335% *  0.1640% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  13.66 +/- 1.14   0.037% *  0.6222% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.64 +/- 0.79   0.023% *  0.6519% (0.68   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.25 +/- 1.16   0.014% *  0.6519% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.26 +/- 0.60   0.038% *  0.2030% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.80 +/- 0.55   0.007% *  0.3461% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.12 +/- 1.07   0.009% *  0.2704% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  19.70 +/- 2.09   0.009% *  0.2469% (0.26   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  21.24 +/- 1.09   0.002% *  0.6563% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.00 +/- 1.01   0.010% *  0.1152% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  21.15 +/- 0.70   0.002% *  0.2949% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  19.40 +/- 1.12   0.004% *  0.1302% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  23.62 +/- 1.84   0.001% *  0.3989% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  22.43 +/- 1.12   0.002% *  0.2244% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.74, residual support = 28.1:
          QB    ALA   64 - HN    LYS+  65   2.73 +/- 0.18 100.000% *100.0000% (0.65   4.74  28.07) = 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 = 7.56:
          HA    ALA   61 - HN    ALA   64   3.53 +/- 0.15  99.234% * 95.1123% (0.95   0.75   7.56) =  99.984%  kept
          HD2   PRO   68 - HN    ALA   64   8.87 +/- 0.70   0.473% *  2.1470% (0.80   0.02   0.02) =   0.011%
          HD3   PRO   58 - HN    ALA   64   9.57 +/- 0.34   0.267% *  1.7345% (0.65   0.02   0.02) =   0.005%
          HA    VAL   75 - HN    ALA   64  14.08 +/- 0.48   0.026% *  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 = 4.23, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.03  98.422% * 99.9016% (0.95  10.0   4.23  20.83) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   6.05 +/- 0.57   1.259% *  0.0235% (0.22   1.0   0.02  38.77) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.72 +/- 0.89   0.319% *  0.0235% (0.22   1.0   0.02   6.73) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.88 +/- 0.70   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.878, support = 4.7, residual support = 26.4:
          QB    LYS+  65 - HN    ALA   64   4.39 +/- 0.24  68.674% * 82.8005% (0.92   4.88  28.07) =  92.301%  kept
          QB    LYS+  66 - HN    ALA   64   5.18 +/- 0.66  29.985% * 15.8056% (0.34   2.52   6.73) =   7.693%  kept
          HB3   GLN   17 - HN    ALA   64   9.16 +/- 0.65   0.888% *  0.3069% (0.84   0.02   2.44) =   0.004%
          HB2   LEU   71 - HN    ALA   64  11.30 +/- 0.48   0.238% *  0.3476% (0.95   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    ALA   64  14.55 +/- 1.11   0.057% *  0.2228% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.16 +/- 0.45   0.094% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.35 +/- 0.56   0.018% *  0.3069% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.24 +/- 1.13   0.044% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  23.04 +/- 0.69   0.003% *  0.0643% (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 = 0.726, support = 7.31, residual support = 55.1:
          HB2   LEU   63 - HN    ALA   64   2.80 +/- 0.16  97.612% * 96.8435% (0.73   7.31  55.08) =  99.997%  kept
          HG3   LYS+  65 - HN    ALA   64   5.78 +/- 0.68   1.737% *  0.0910% (0.25   0.02  28.07) =   0.002%
          HB3   ASP-  44 - HN    ALA   64   7.90 +/- 0.69   0.227% *  0.3048% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   7.47 +/- 0.74   0.350% *  0.0910% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.53 +/- 0.84   0.014% *  0.3617% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.56 +/- 1.09   0.009% *  0.3452% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.33 +/- 0.62   0.023% *  0.1126% (0.31   0.02   0.22) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.18 +/- 1.13   0.007% *  0.3617% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  17.81 +/- 2.18   0.005% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.57 +/- 0.54   0.004% *  0.1920% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.92 +/- 1.07   0.003% *  0.1500% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  19.63 +/- 1.09   0.001% *  0.3641% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.85 +/- 0.89   0.003% *  0.0639% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  19.48 +/- 0.69   0.001% *  0.1636% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  21.81 +/- 2.14   0.001% *  0.2213% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  18.46 +/- 0.89   0.001% *  0.0722% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  20.77 +/- 1.05   0.001% *  0.1245% (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 = 6.86, residual support = 55.1:
          HG    LEU   63 - HN    ALA   64   4.58 +/- 0.58  82.015% * 98.6066% (0.53   6.86  55.08) =  99.975%  kept
          QD1   ILE  119 - HN    ALA   64   6.39 +/- 0.95  17.515% *  0.1081% (0.20   0.02   0.02) =   0.023%
          QG2   VAL  108 - HN    ALA   64  13.19 +/- 0.95   0.182% *  0.3313% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    ALA   64  15.02 +/- 1.49   0.092% *  0.5042% (0.92   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  13.67 +/- 0.59   0.133% *  0.2449% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  15.51 +/- 0.81   0.064% *  0.2050% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.14 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.8, residual support = 55.1:
          HB3   LEU   63 - HN    ALA   64   3.43 +/- 0.32  92.478% * 99.3389% (0.97   6.80  55.08) =  99.989%  kept
          QG1   VAL   18 - HN    ALA   64   6.37 +/- 0.73   3.548% *  0.1593% (0.53   0.02   8.49) =   0.006%
          QG1   VAL   70 - HN    ALA   64   6.95 +/- 0.97   3.049% *  0.1245% (0.41   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64   8.13 +/- 1.27   0.800% *  0.0674% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.90 +/- 0.80   0.107% *  0.0674% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  14.74 +/- 0.94   0.017% *  0.2425% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.806, support = 6.16, residual support = 55.1:
          QD2   LEU   63 - HN    ALA   64   4.65 +/- 0.22  43.556% * 60.3510% (1.00   5.79  55.08) =  55.382%  kept
          QD1   LEU   63 - HN    ALA   64   4.48 +/- 0.27  54.110% * 39.1346% (0.57   6.63  55.08) =  44.615%  kept
          QD2   LEU  115 - HN    ALA   64   8.35 +/- 0.89   1.601% *  0.0520% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ALA   64  10.92 +/- 0.54   0.285% *  0.1265% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.92 +/- 0.30   0.268% *  0.1181% (0.57   0.02   0.22) =   0.001%
          QD2   LEU   98 - HN    ALA   64  12.44 +/- 0.98   0.138% *  0.0857% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  18.50 +/- 2.79   0.019% *  0.0857% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  17.39 +/- 2.11   0.023% *  0.0464% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 4.23, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.23  20.83) = 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 = 5.24, residual support = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.60 +/- 0.03  99.935% * 99.8321% (0.97  10.0   5.24  42.46) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.53 +/- 0.73   0.061% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  19.91 +/- 0.53   0.004% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  27.15 +/- 2.03   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 = 11.4:
          HA    PHE   60 - HN    LEU   63   3.28 +/- 0.19  99.753% * 92.4872% (0.69   1.50  11.43) =  99.997%  kept
          QB    SER  117 - HN    LEU   63  11.91 +/- 0.63   0.050% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LEU   63  10.23 +/- 0.91   0.134% *  0.6124% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.82 +/- 0.55   0.032% *  1.3720% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU   63  14.13 +/- 0.58   0.018% *  1.2332% (0.69   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  16.91 +/- 2.04   0.008% *  1.0164% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.25 +/- 0.40   0.005% *  1.4995% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.2:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.03  99.999% * 99.8508% (0.76  10.0   7.54 242.21) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  20.89 +/- 0.78   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.52 +/- 0.56   0.000% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.15 +/- 0.60  99.971% * 99.7491% (0.98   5.24  42.46) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.72 +/- 1.17   0.011% *  0.1741% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  14.20 +/- 0.91   0.018% *  0.0768% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   3.18 +/- 0.50  99.983% * 98.9519% (0.95   5.24  42.46) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.59 +/- 0.71   0.015% *  0.3684% (0.92   0.02   0.97) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.19 +/- 1.64   0.001% *  0.2898% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  25.58 +/- 1.99   0.001% *  0.2259% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.63 +/- 0.58   0.001% *  0.1641% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.9, residual support = 242.2:
      O   HB2   LEU   63 - HN    LEU   63   2.17 +/- 0.11  99.724% * 98.8228% (0.73  10.0   7.90 242.21) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.53 +/- 0.78   0.194% *  0.0339% (0.25   1.0   0.02   1.82) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.41 +/- 0.74   0.036% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.69 +/- 0.55   0.028% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.58 +/- 0.75   0.005% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.21 +/- 1.02   0.004% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  14.93 +/- 1.10   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.56 +/- 1.02   0.002% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.07 +/- 0.71   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.92 +/- 0.49   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  15.90 +/- 2.12   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  20.01 +/- 0.91   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.59 +/- 0.75   0.001% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  22.75 +/- 2.24   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  21.22 +/- 0.78   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.08 +/- 1.10   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.66 +/- 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 = 7.51, residual support = 242.2:
          HG    LEU   63 - HN    LEU   63   2.91 +/- 0.40  99.698% * 99.5001% (1.00   7.51 242.21) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.21 +/- 0.87   0.275% *  0.0465% (0.18   0.02   0.42) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.72 +/- 1.39   0.023% *  0.1929% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  16.65 +/- 0.81   0.004% *  0.2604% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.56, residual support = 242.2:
      O   HB3   LEU   63 - HN    LEU   63   3.42 +/- 0.12  95.970% * 99.7743% (0.97  10.0   7.56 242.21) =  99.999%  kept
          QD1   LEU  123 - HN    LEU   63   6.84 +/- 1.25   2.730% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU   63   8.19 +/- 0.64   0.578% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   8.07 +/- 0.68   0.660% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  13.87 +/- 1.04   0.024% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.76 +/- 0.72   0.038% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.872, support = 6.94, residual support = 242.2:
          QD1   LEU   63 - HN    LEU   63   3.56 +/- 0.28  60.092% * 48.0454% (0.90   6.55 242.21) =  60.229%  kept
          QD2   LEU   63 - HN    LEU   63   3.88 +/- 0.35  37.026% * 51.4830% (0.84   7.54 242.21) =  39.766%  kept
          QD2   LEU  115 - HN    LEU   63   6.29 +/- 0.97   2.745% *  0.0926% (0.57   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   63  12.36 +/- 0.31   0.033% *  0.1466% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.17 +/- 0.84   0.037% *  0.0505% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.33 +/- 0.52   0.034% *  0.0455% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.21 +/- 1.02   0.026% *  0.0252% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  18.34 +/- 2.08   0.004% *  0.0860% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  19.40 +/- 2.64   0.003% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 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   2.74 +/- 0.46  99.987% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.88 +/- 0.89   0.005% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.32 +/- 0.97   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.08 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   2.43 +/- 0.32  99.998% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.54 +/- 0.69   0.002% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.19 +/- 1.72   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  25.87 +/- 1.83   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  26.09 +/- 0.65   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 = 0.406, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.27 +/- 0.73  86.282% *  5.0993% (0.32   0.02   0.02) =  77.078%  kept
          HG    LEU  123 - HN    ASP-  62  10.19 +/- 0.98   6.211% * 12.8527% (0.82   0.02   0.02) =  13.985%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.77   1.901% *  7.6923% (0.49   0.02   0.02) =   2.562%  kept
          HG3   PRO   68 - HN    ASP-  62  12.75 +/- 0.97   1.271% *  8.7895% (0.56   0.02   0.02) =   1.957%  kept
          HB3   PRO   52 - HN    ASP-  62  14.29 +/- 0.97   0.707% * 12.8527% (0.82   0.02   0.02) =   1.591%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.47 +/- 0.75   0.688% *  7.1484% (0.45   0.02   0.02) =   0.861%  kept
          HG2   PRO   93 - HN    ASP-  62  13.16 +/- 1.21   1.388% *  2.3795% (0.15   0.02   0.02) =   0.578%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.04 +/- 0.94   0.880% *  3.3879% (0.21   0.02   0.02) =   0.523%  kept
          HB    VAL   41 - HN    ASP-  62  16.63 +/- 0.45   0.285% *  7.6923% (0.49   0.02   0.02) =   0.384%
          HG12  ILE  103 - HN    ASP-  62  19.47 +/- 1.14   0.112% *  9.8662% (0.63   0.02   0.02) =   0.193%
          HB    ILE  103 - HN    ASP-  62  20.65 +/- 0.77   0.079% *  8.2409% (0.52   0.02   0.02) =   0.115%
          QB    LYS+  33 - HN    ASP-  62  19.62 +/- 0.78   0.112% *  5.5858% (0.35   0.02   0.02) =   0.109%
          HB3   GLN   90 - HN    ASP-  62  22.30 +/- 1.06   0.049% *  4.6346% (0.29   0.02   0.02) =   0.040%
          QB    LYS+  81 - HN    ASP-  62  23.35 +/- 0.74   0.036% *  3.7777% (0.24   0.02   0.02) =   0.024%
    Distance limit 4.31 A violated in 20 structures by 1.79 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 = 8.33:
          QB    ALA   61 - HN    ASP-  62   2.72 +/- 0.16  98.660% * 94.7960% (0.80   2.79   8.33) =  99.993%  kept
          QG    LYS+  66 - HN    ASP-  62   6.17 +/- 0.98   1.240% *  0.4468% (0.52   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ASP-  62  10.21 +/- 0.82   0.041% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.43 +/- 1.96   0.027% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.06 +/- 0.71   0.006% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.62 +/- 0.89   0.012% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.68 +/- 1.17   0.005% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.48 +/- 0.77   0.005% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.11 +/- 0.63   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  22.98 +/- 2.26   0.000% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.57 +/- 1.77   0.000% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.08 +/- 1.41   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.84, support = 1.62, residual support = 3.27:
          QB    LYS+  65 - HN    LEU   63   4.73 +/- 0.32  50.576% * 54.7032% (0.76   1.93   1.82) =  58.455%  kept
          QB    LYS+  66 - HN    LEU   63   4.89 +/- 0.84  47.263% * 41.5897% (0.95   1.19   5.33) =  41.531%  kept
          HG    LEU  123 - HN    LEU   63   8.89 +/- 1.11   1.599% *  0.2780% (0.38   0.02   0.02) =   0.009%
          HG2   PRO   93 - HN    LEU   63  13.39 +/- 1.07   0.101% *  0.7340% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  13.37 +/- 0.44   0.091% *  0.5378% (0.73   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  11.57 +/- 0.74   0.227% *  0.1649% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.50 +/- 0.41   0.056% *  0.5930% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  15.06 +/- 1.24   0.049% *  0.2780% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  17.64 +/- 0.53   0.017% *  0.6424% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.28 +/- 1.15   0.021% *  0.4791% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.66 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 +/- 0.01  99.761% * 99.3945% (0.69  10.0   4.87  40.67) = 100.000%  kept
          QB    SER   48 - HN    ALA   61  13.76 +/- 2.21   0.073% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    ALA   61  13.71 +/- 0.38   0.035% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.29 +/- 0.60   0.044% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  13.74 +/- 0.53   0.035% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.61 +/- 0.79   0.039% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.35 +/- 0.44   0.012% *  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   2.78 +/- 0.04  98.040% * 99.8077% (0.95  10.0   2.77  18.02) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.36 +/- 0.18   1.944% *  0.0683% (0.65   1.0   0.02   0.75) =   0.001%
          HD2   PRO   68 - HN    ALA   61  13.35 +/- 0.77   0.009% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.61 +/- 0.60   0.007% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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   2.70 +/- 0.33  99.795% * 99.4593% (0.84   4.82  40.67) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   8.85 +/- 1.08   0.205% *  0.0978% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  24.02 +/- 2.46   0.000% *  0.4430% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 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   3.63 +/- 0.56  99.927% * 99.1717% (0.98   4.87  40.67) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.80 +/- 0.80   0.019% *  0.3601% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.13 +/- 0.77   0.037% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.31 +/- 0.54   0.016% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  25.27 +/- 1.26   0.001% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.13 +/- 0.06  99.920% * 99.0576% (0.73  10.0   4.03  18.02) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.34 +/- 0.90   0.035% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.39 +/- 1.16   0.019% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.46 +/- 2.14   0.011% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.35 +/- 1.01   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.30 +/- 1.00   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.40 +/- 0.69   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.47 +/- 0.58   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.84 +/- 0.65   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  20.68 +/- 2.14   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.50 +/- 1.29   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 = 40.3:
          HD3   PRO   58 - HN    PHE   59   2.30 +/- 0.02  99.866% * 99.4990% (0.76   6.10  40.28) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   6.96 +/- 0.13   0.132% *  0.1136% (0.26   0.02   0.31) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.29 +/- 0.47   0.001% *  0.3214% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.52 +/- 0.95   0.001% *  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 = 58.4:
      O   HB2   PHE   59 - HN    PHE   59   2.26 +/- 0.24  99.761% * 99.5977% (0.76  10.0   4.37  58.43) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   6.60 +/- 0.15   0.191% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.68 +/- 0.96   0.021% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.58 +/- 0.50   0.019% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.87 +/- 0.78   0.006% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.94 +/- 0.77   0.002% *  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 = 58.4:
      O   HB3   PHE   59 - HN    PHE   59   2.49 +/- 0.24  99.958% * 99.9594% (0.67  10.0   4.98  58.43) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.35 +/- 0.69   0.041% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.58 +/- 0.58   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.58, residual support = 40.3:
      O   HB2   PRO   58 - HN    PHE   59   3.27 +/- 0.40  99.614% * 98.5251% (0.19  10.0   6.58  40.28) =  99.999%  kept
          HB2   GLN  116 - HN    PHE   59   8.93 +/- 0.89   0.363% *  0.3300% (0.64   1.0   0.02   0.59) =   0.001%
          HB3   PHE   97 - HN    PHE   59  14.42 +/- 1.04   0.018% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  18.97 +/- 0.77   0.003% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.15 +/- 0.61   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  26.04 +/- 0.80   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 40.3:
          HG2   PRO   58 - HN    PHE   59   2.74 +/- 0.23  99.801% * 98.7275% (0.76   6.30  40.28) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.16 +/- 0.75   0.082% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.30 +/- 0.53   0.094% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  12.39 +/- 0.87   0.015% *  0.3136% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.03 +/- 1.55   0.006% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  21.57 +/- 1.31   0.000% *  0.3192% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.96 +/- 0.78   0.001% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.19 +/- 1.99   0.000% *  0.3199% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.689, support = 6.27, residual support = 40.2:
      O   HB3   PRO   58 - HN    PHE   59   4.08 +/- 0.18  76.042% * 97.6194% (0.69  10.0   6.30  40.28) =  99.349%  kept
          HB    ILE   56 - HN    PHE   59   5.19 +/- 0.84  23.875% *  2.0356% (0.19   1.0   1.50  20.71) =   0.650%  kept
          HB2   MET   92 - HN    PHE   59  14.99 +/- 0.86   0.035% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.77 +/- 0.68   0.037% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  20.62 +/- 1.52   0.005% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.33 +/- 0.66   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.11 +/- 1.45   0.002% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.71 +/- 1.75   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.14 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.7:
          QG1   ILE   56 - HN    PHE   59   4.06 +/- 0.35  99.541% * 97.7319% (0.67   4.26  20.71) =  99.999%  kept
          QD    LYS+ 106 - HN    PHE   59  14.39 +/- 1.03   0.060% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.14 +/- 1.66   0.119% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    PHE   59  13.76 +/- 1.20   0.082% *  0.2369% (0.35   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  12.56 +/- 0.93   0.136% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.97 +/- 0.59   0.029% *  0.3205% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.04 +/- 0.58   0.014% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.56 +/- 0.82   0.009% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  20.39 +/- 1.51   0.008% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.352, support = 0.02, residual support = 1.94:
          HA    ALA   61 - HN    ALA   57   8.41 +/- 0.35  98.607% * 14.7090% (0.34   0.02   1.99) =  97.252%  kept
          HA    VAL   24 - HN    ALA   57  20.34 +/- 0.57   0.503% * 41.6148% (0.97   0.02   0.02) =   1.405%  kept
          HD2   PRO   68 - HN    ALA   57  18.85 +/- 0.92   0.804% * 22.6869% (0.53   0.02   0.02) =   1.222%  kept
          HA    LYS+  38 - HN    ALA   57  27.29 +/- 0.70   0.086% * 20.9893% (0.49   0.02   0.02) =   0.121%
    Distance limit 3.53 A violated in 20 structures by 4.85 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.369, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.53 +/- 0.37  53.455% * 30.3140% (0.34   0.02   0.02) =  50.397%  kept
          HD2   ARG+  54 - HN    ALA   57   6.85 +/- 0.75  40.981% * 36.5352% (0.41   0.02   0.02) =  46.567%  kept
          HD3   PRO   93 - HN    ALA   57   9.78 +/- 0.90   5.454% * 17.5871% (0.20   0.02   0.02) =   2.983%  kept
          HD3   PRO   68 - HN    ALA   57  18.28 +/- 0.72   0.109% * 15.5637% (0.18   0.02   0.02) =   0.053%
    Distance limit 4.50 A violated in 18 structures by 1.29 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.532, support = 4.85, residual support = 29.6:
          HB    ILE   56 - HN    ALA   57   4.33 +/- 0.22  78.516% * 25.6657% (0.25   5.34  33.33) =  56.360%  kept
          HB3   PRO   58 - HN    ALA   57   5.40 +/- 0.28  21.342% * 73.1119% (0.90   4.23  24.78) =  43.639%  kept
          HB2   MET   92 - HN    ALA   57  13.39 +/- 0.81   0.099% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  16.04 +/- 0.61   0.032% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  21.90 +/- 1.75   0.005% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  22.51 +/- 0.73   0.004% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.07 +/- 1.36   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  32.21 +/- 1.47   0.001% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.21 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   2.08 +/- 0.06  99.986% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.33 +/- 0.46   0.004% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  13.19 +/- 1.67   0.004% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.42 +/- 1.22   0.005% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.14 +/- 1.18   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.57 +/- 0.63   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.83 +/- 1.59   0.000% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.82 +/- 1.11   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.22 +/- 1.66   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.3:
          QG2   ILE   56 - HN    ALA   57   3.68 +/- 0.18  99.646% * 97.4851% (0.87   5.34  33.33) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  11.51 +/- 1.86   0.214% *  0.4064% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   57  11.58 +/- 0.81   0.113% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.44 +/- 0.67   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.80 +/- 0.65   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  20.19 +/- 0.69   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.29 +/- 0.99   0.007% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  21.23 +/- 0.98   0.003% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.95 +/- 1.02   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.48 +/- 1.49   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 60.1:
      O   HB2   ASN   69 - HD21  ASN   69   2.86 +/- 0.52  99.872% * 99.6854% (0.36  10.0   3.63  60.05) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  11.32 +/- 2.13   0.119% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  15.12 +/- 1.76   0.009% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.81 +/- 1.23   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.39 +/- 1.01   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.317, support = 4.12, residual support = 25.8:
          QG1   VAL   70 - HD21  ASN   69   3.65 +/- 1.26  81.204% * 94.6324% (0.32   4.15  25.96) =  99.234%  kept
          QD1   LEU   71 - HD21  ASN   69   7.33 +/- 1.93  18.409% *  3.2123% (0.19   0.23   0.02) =   0.764%  kept
          HB3   LEU   63 - HD21  ASN   69  11.34 +/- 1.48   0.105% *  0.8057% (0.56   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  11.79 +/- 0.97   0.103% *  0.5535% (0.39   0.02   0.02) =   0.001%
          QD1   LEU  123 - HD21  ASN   69  10.92 +/- 1.96   0.177% *  0.2748% (0.19   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.69 +/- 1.06   0.003% *  0.5212% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.387, support = 0.0199, residual support = 0.0199:
          HA    LYS+  99 - HD21  ASN   69   9.66 +/- 1.43  19.256% * 19.7883% (0.53   0.02   0.02) =  47.205%  kept
          HA    LEU   40 - HD21  ASN   69   7.88 +/- 1.26  64.264% *  2.8311% (0.08   0.02   0.02) =  22.539%  kept
          HA    LEU  123 - HD21  ASN   69  12.36 +/- 3.14  11.250% * 14.3693% (0.39   0.02   0.02) =  20.026%  kept
          HA    ASN   35 - HD21  ASN   69  13.07 +/- 1.63   3.910% * 17.4728% (0.47   0.02   0.02) =   8.464%  kept
          HA    PHE   59 - HD21  ASN   69  16.80 +/- 1.25   1.003% *  8.6000% (0.23   0.02   0.02) =   1.068%  kept
          HA    ILE   56 - HD21  ASN   69  21.26 +/- 1.00   0.230% * 16.7505% (0.45   0.02   0.02) =   0.477%
          HA    ASP- 113 - HD21  ASN   69  24.59 +/- 1.68   0.088% * 20.1881% (0.54   0.02   0.02) =   0.221%
    Distance limit 4.84 A violated in 19 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.28, residual support = 17.6:
          QB    PHE   55 - HN    ILE   56   2.87 +/- 0.24  94.218% * 97.6876% (0.97   4.28  17.58) =  99.974%  kept
          HB3   CYS   53 - HN    ILE   56   5.39 +/- 0.26   2.524% *  0.4569% (0.97   0.02   0.02) =   0.013%
          HB2   PHE   59 - HN    ILE   56   5.52 +/- 0.54   2.416% *  0.3618% (0.76   0.02  20.71) =   0.009%
          HD2   ARG+  54 - HN    ILE   56   7.16 +/- 0.42   0.477% *  0.4370% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    ILE   56   7.75 +/- 1.02   0.357% *  0.4723% (1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  19.71 +/- 0.75   0.001% *  0.4692% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  17.20 +/- 2.65   0.003% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  19.32 +/- 2.04   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  21.80 +/- 2.79   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  24.06 +/- 3.01   0.000% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  26.01 +/- 1.56   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  30.82 +/- 3.98   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 = 5.98, residual support = 122.7:
      O   HB    ILE   56 - HN    ILE   56   2.66 +/- 0.60  96.406% * 99.2786% (0.87  10.0   5.98 122.69) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.85 +/- 0.62   3.095% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.40 +/- 0.14   0.384% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  11.47 +/- 1.05   0.025% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.57 +/- 0.84   0.009% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.55 +/- 1.20   0.006% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.48 +/- 3.94   0.021% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.74 +/- 0.82   0.004% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.90 +/- 0.82   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.83 +/- 1.03   0.026% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.38 +/- 0.88   0.001% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  20.26 +/- 5.71   0.003% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  17.47 +/- 4.41   0.007% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.60 +/- 1.35   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.44 +/- 0.98   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.85 +/- 0.87   0.007% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.31 +/- 0.95   0.000% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.21 +/- 0.69   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  22.30 +/- 3.12   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  22.58 +/- 5.20   0.001% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  22.65 +/- 4.92   0.001% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.04 +/- 1.38   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  30.26 +/- 4.94   0.000% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  25.06 +/- 4.77   0.001% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  28.51 +/- 2.55   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.00 +/- 1.87   0.000% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  32.44 +/- 3.79   0.000% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  39.14 +/- 6.99   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 122.7:
          QG1   ILE   56 - HN    ILE   56   3.95 +/- 0.24  97.421% * 98.0277% (0.87   5.17 122.69) =  99.998%  kept
          HB3   MET   92 - HN    ILE   56  10.32 +/- 1.36   0.564% *  0.1958% (0.45   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ILE   56  11.74 +/- 1.91   0.570% *  0.1490% (0.34   0.02   2.22) =   0.001%
          QD    LYS+ 106 - HN    ILE   56  14.88 +/- 0.91   0.042% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.64 +/- 0.81   1.032% *  0.0065% (0.01   0.02  23.14) =   0.000%
          HB2   LEU   73 - HN    ILE   56  16.73 +/- 0.60   0.018% *  0.2649% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.88 +/- 1.67   0.024% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  18.26 +/- 5.07   0.120% *  0.0152% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.31 +/- 0.48   0.004% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.27 +/- 1.12   0.015% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.79 +/- 0.80   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  16.94 +/- 4.67   0.080% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.90 +/- 4.09   0.083% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  19.55 +/- 2.79   0.011% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  24.29 +/- 6.54   0.009% *  0.0065% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  26.00 +/- 3.74   0.002% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  26.82 +/- 4.30   0.002% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  32.20 +/- 4.56   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.344, support = 0.872, residual support = 3.64:
          QB    ALA  110 - HN    ILE   56   5.29 +/- 2.63  73.596% * 14.1472% (0.20   0.92   5.27) =  66.877%  kept
          HG    LEU  115 - HN    ILE   56   7.52 +/- 1.26  10.378% * 25.0131% (0.38   0.86   0.34) =  16.673%  kept
          HB3   LEU  115 - HN    ILE   56   7.76 +/- 0.76   4.962% * 50.6832% (0.92   0.71   0.34) =  16.154%  kept
          QB    ALA   61 - HN    ILE   56   7.53 +/- 0.39   6.813% *  0.5836% (0.38   0.02   0.02) =   0.255%
          QG    LYS+  66 - HN    ILE   56  13.77 +/- 1.12   0.220% *  1.1291% (0.73   0.02   0.02) =   0.016%
          QB    ALA  120 - HN    ILE   56  13.89 +/- 1.04   0.218% *  0.5836% (0.38   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ILE   56  17.50 +/- 0.88   0.046% *  1.3945% (0.90   0.02   0.02) =   0.004%
          HG    LEU   80 - HZ2   TRP   87  10.98 +/- 3.05   3.352% *  0.0150% (0.01   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE   56  17.83 +/- 0.91   0.039% *  1.2988% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE   56  17.97 +/- 1.08   0.035% *  0.8181% (0.53   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE   56  19.71 +/- 0.81   0.019% *  1.4354% (0.92   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    ILE   56  20.42 +/- 0.89   0.018% *  0.3077% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   56  20.56 +/- 2.06   0.015% *  0.3462% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  19.75 +/- 0.79   0.020% *  0.2399% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.52 +/- 1.33   0.003% *  1.5006% (0.97   0.02   0.02) =   0.000%
          HG    LEU   73 - HZ2   TRP   87  18.27 +/- 4.31   0.061% *  0.0605% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  17.61 +/- 3.75   0.119% *  0.0134% (0.01   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  23.56 +/- 4.36   0.017% *  0.0623% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  21.72 +/- 2.40   0.012% *  0.0253% (0.02   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  25.43 +/- 4.31   0.004% *  0.0623% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  25.26 +/- 4.15   0.009% *  0.0253% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  23.92 +/- 5.32   0.021% *  0.0104% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  27.07 +/- 4.56   0.003% *  0.0651% (0.04   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  28.19 +/- 3.98   0.003% *  0.0564% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  27.62 +/- 2.81   0.003% *  0.0490% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  26.50 +/- 3.74   0.005% *  0.0253% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  27.72 +/- 4.23   0.003% *  0.0355% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  26.31 +/- 4.06   0.004% *  0.0134% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 3 structures by 0.41 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 122.7:
          QG2   ILE   56 - HN    ILE   56   2.79 +/- 0.41  91.963% * 98.4413% (1.00   6.59 122.69) =  99.999%  kept
          QG2   THR   23 - HZ2   TRP   87  11.34 +/- 5.42   7.854% *  0.0084% (0.03   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ILE   56  10.19 +/- 1.81   0.132% *  0.2168% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.09 +/- 0.89   0.023% *  0.0591% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  18.22 +/- 0.90   0.002% *  0.1931% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.48 +/- 0.79   0.001% *  0.2824% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.07 +/- 0.71   0.001% *  0.2168% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.70 +/- 0.72   0.014% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.96 +/- 0.66   0.001% *  0.1120% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  17.68 +/- 2.45   0.003% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  22.06 +/- 1.03   0.001% *  0.0523% (0.18   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  19.57 +/- 4.31   0.002% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.97 +/- 1.50   0.000% *  0.2824% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.25 +/- 0.99   0.000% *  0.0665% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  18.18 +/- 3.96   0.003% *  0.0026% (0.01   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  22.44 +/- 3.87   0.001% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  23.98 +/- 5.25   0.001% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  30.50 +/- 5.08   0.000% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  24.55 +/- 5.40   0.000% *  0.0023% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  28.06 +/- 4.52   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.906, support = 5.33, residual support = 57.3:
          HB3   CYS   53 - HN    ARG+  54   3.91 +/- 0.27  47.667% * 35.6293% (0.94   5.36  31.90) =  58.897%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.84 +/- 0.38  14.406% * 45.5872% (0.95   6.80 165.89) =  22.775%  kept
          QB    PHE   55 - HN    ARG+  54   4.24 +/- 0.15  28.788% * 18.3490% (0.76   3.42   3.93) =  18.318%  kept
          HD3   PRO   93 - HN    ARG+  54   7.46 +/- 1.12   1.453% *  0.1202% (0.85   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ASP-  62   5.38 +/- 0.22   7.079% *  0.0132% (0.09   0.02   6.61) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.31 +/- 0.60   0.267% *  0.0705% (0.50   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.35 +/- 0.17   0.135% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  11.15 +/- 0.72   0.093% *  0.0218% (0.15   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.07 +/- 0.82   0.057% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.30 +/- 1.14   0.038% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.98 +/- 0.79   0.016% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.67 +/- 0.80   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 = 6.4, residual support = 165.9:
      O   HB2   ARG+  54 - HN    ARG+  54   3.01 +/- 0.58  99.407% * 96.9633% (0.26  10.0   6.40 165.89) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.88 +/- 0.85   0.281% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.49 +/- 1.28   0.029% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.32 +/- 0.79   0.060% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.72 +/- 1.25   0.032% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.73 +/- 0.83   0.019% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.84 +/- 0.83   0.007% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.23 +/- 1.48   0.011% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.24 +/- 0.66   0.022% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  14.83 +/- 1.88   0.019% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.52 +/- 1.33   0.003% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.27 +/- 0.50   0.034% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.33 +/- 1.10   0.025% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.32 +/- 1.00   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.07 +/- 1.41   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.91 +/- 0.64   0.017% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  13.43 +/- 0.62   0.019% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.38 +/- 1.34   0.006% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  25.27 +/- 0.91   0.000% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  24.11 +/- 1.04   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  24.10 +/- 1.00   0.001% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  20.10 +/- 0.85   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.15 +/- 0.62   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  19.35 +/- 0.71   0.002% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.77 +/- 0.79   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.49 +/- 0.62   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.87 +/- 0.80   0.000% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  24.15 +/- 0.90   0.001% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.08 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.929, support = 6.3, residual support = 163.6:
          HG2   ARG+  54 - HN    ARG+  54   3.40 +/- 0.29  87.655% * 83.7549% (0.94   6.34 165.89) =  98.629%  kept
          HB3   PRO   52 - HN    ARG+  54   5.25 +/- 0.28   7.444% * 13.6314% (0.29   3.31   1.76) =   1.363%  kept
          HB    ILE   56 - HN    ARG+  54   6.08 +/- 1.05   4.068% *  0.1298% (0.46   0.02   0.02) =   0.007%
          HB    ILE   56 - HN    ASP-  62   8.97 +/- 0.83   0.439% *  0.0243% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  13.25 +/- 1.48   0.036% *  0.2573% (0.91   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  10.19 +/- 0.98   0.177% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.77   0.055% *  0.0494% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.90 +/- 0.78   0.009% *  0.2391% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.75 +/- 0.97   0.038% *  0.0481% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.27 +/- 1.30   0.006% *  0.2461% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.04 +/- 0.94   0.018% *  0.0447% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.47 +/- 0.75   0.016% *  0.0498% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.18 +/- 0.92   0.002% *  0.2660% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.29 +/- 0.97   0.019% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  19.89 +/- 1.22   0.003% *  0.0823% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.34 +/- 1.10   0.001% *  0.2573% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.89 +/- 0.78   0.001% *  0.2613% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.70 +/- 1.01   0.001% *  0.2642% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.62 +/- 0.78   0.003% *  0.0494% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.65 +/- 0.77   0.002% *  0.0489% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.30 +/- 1.06   0.001% *  0.0481% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  23.35 +/- 0.74   0.001% *  0.0460% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  24.15 +/- 1.00   0.001% *  0.0528% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  19.12 +/- 0.63   0.003% *  0.0099% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.48 +/- 1.33   0.001% *  0.0170% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.31 +/- 1.30   0.000% *  0.0909% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.77, residual support = 8.29:
          QB    ALA   61 - HN    ASP-  62   2.72 +/- 0.16  97.411% * 57.4934% (0.16   2.79   8.33) =  99.514%  kept
          QB    ALA  110 - HN    ARG+  54   6.92 +/- 2.71   1.183% * 22.6661% (0.95   0.19   0.02) =   0.477%
          QG    LYS+  66 - HN    ASP-  62   6.17 +/- 0.98   1.223% *  0.2710% (0.11   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    ARG+  54   9.12 +/- 0.54   0.073% *  2.2039% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62  10.21 +/- 0.82   0.040% *  0.3577% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.43 +/- 1.96   0.026% *  0.4467% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.65 +/- 0.90   0.004% *  1.1621% (0.46   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.63 +/- 1.10   0.002% *  1.4481% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  17.21 +/- 1.45   0.002% *  1.6400% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.06 +/- 0.71   0.006% *  0.4428% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.62 +/- 0.89   0.012% *  0.2174% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.19 +/- 1.54   0.001% *  2.3822% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.68 +/- 1.17   0.005% *  0.2350% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.08 +/- 0.85   0.000% *  2.3664% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.81 +/- 1.23   0.001% *  1.9118% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  18.89 +/- 0.76   0.001% *  0.9815% (0.39   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.48 +/- 0.77   0.005% *  0.1837% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.33 +/- 0.93   0.000% *  1.2561% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.98 +/- 0.60   0.000% *  0.5953% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.11 +/- 0.63   0.003% *  0.1114% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  22.98 +/- 2.26   0.000% *  0.4457% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.57 +/- 1.77   0.000% *  0.3069% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.39 +/- 1.38   0.000% *  0.7369% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.08 +/- 1.41   0.000% *  0.1379% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.446, support = 3.04, residual support = 11.2:
      O   HA2   GLY   51 - HN    GLY   51   2.72 +/- 0.22  32.241% * 83.6609% (0.49  10.0   2.21  10.06) =  72.354%  kept
          HD2   PRO   52 - HN    GLY   51   2.40 +/- 0.57  67.628% * 15.2393% (0.34   1.0   5.20  14.31) =  27.646%  kept
          QB    SER   48 - HN    GLY   51   7.18 +/- 1.14   0.128% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.29 +/- 1.02   0.002% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.79 +/- 1.10   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  15.56 +/- 1.19   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  21.64 +/- 0.97   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.87 +/- 1.14   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.05 +/- 1.20   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  24.57 +/- 1.48   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.07 +/- 1.07   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  32.41 +/- 1.70   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 = 1.44, residual support = 7.3:
      O   QB    CYS   50 - HN    CYS   50   2.78 +/- 0.41  99.048% * 99.5934% (0.69  10.0   1.44   7.30) =  99.998%  kept
          HB3   ASP-  78 - HN    CYS   50   7.92 +/- 1.89   0.884% *  0.1678% (0.84   1.0   0.02   0.02) =   0.002%
          QE    LYS+  74 - HN    CYS   50   9.92 +/- 0.69   0.067% *  0.1459% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.66 +/- 1.22   0.000% *  0.0310% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.98 +/- 0.79   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 1.91, residual support = 6.95:
          QB    ALA   47 - HN    CYS   50   2.46 +/- 0.51  99.987% * 97.5602% (0.57   1.91   6.95) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.33 +/- 0.74   0.005% *  1.3127% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.58 +/- 0.44   0.004% *  0.8105% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  15.26 +/- 2.14   0.005% *  0.3166% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.316, support = 3.55, residual support = 14.7:
      O   HA    SER   48 - HN    TRP   49   3.52 +/- 0.06  34.498% * 70.2673% (0.22  10.0   3.27  14.74) =  58.590%  kept
          QB    SER   48 - HN    TRP   49   3.18 +/- 0.33  61.488% * 27.8528% (0.45   1.0   3.94  14.74) =  41.393%  kept
          HD2   PRO   52 - HN    TRP   49   5.81 +/- 1.20   3.235% *  0.2042% (0.65   1.0   0.02   1.42) =   0.016%
          HA2   GLY   51 - HN    TRP   49   6.80 +/- 0.70   0.731% *  0.0703% (0.22   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    TRP   49  13.61 +/- 1.60   0.014% *  0.3046% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  12.76 +/- 1.21   0.018% *  0.1298% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  12.91 +/- 0.47   0.014% *  0.1077% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  22.07 +/- 1.32   0.001% *  0.3128% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  24.38 +/- 1.42   0.000% *  0.3046% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.31 +/- 1.04   0.000% *  0.2168% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  30.36 +/- 1.20   0.000% *  0.1415% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.99 +/- 0.79   0.000% *  0.0878% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 87.2:
      O   HB3   TRP   49 - HN    TRP   49   3.15 +/- 0.22  99.994% * 99.8958% (0.80  10.0   3.99  87.20) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.40 +/- 0.93   0.006% *  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 = 0.419, support = 2.53, residual support = 9.42:
      O   QB    SER   48 - HN    SER   48   2.28 +/- 0.18  76.848% * 66.2308% (0.45  10.0   2.52   9.42) =  87.098%  kept
      O   HA    SER   48 - HN    SER   48   2.80 +/- 0.02  22.924% * 32.8893% (0.22  10.0   2.61   9.42) =  12.902%  kept
          HD2   PRO   52 - HN    SER   48   7.05 +/- 1.39   0.184% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.66 +/- 0.57   0.029% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.74 +/- 1.88   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  12.04 +/- 1.91   0.006% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.65 +/- 0.75   0.005% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  21.12 +/- 1.84   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  23.25 +/- 1.83   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  25.78 +/- 1.36   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  28.26 +/- 1.17   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.23 +/- 1.01   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 = 6.15:
          QB    ALA   47 - HN    SER   48   2.86 +/- 0.27  99.976% * 99.1202% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.22 +/- 0.50   0.009% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  14.37 +/- 1.25   0.013% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.68 +/- 2.19   0.003% *  0.2428% (0.45   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 = 0.832, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   8.99 +/- 0.75  94.822% * 52.2208% (0.84   0.02   0.02) =  95.241%  kept
          HB2   TRP   87 - HN    ALA   47  15.88 +/- 1.73   5.178% * 47.7792% (0.76   0.02   0.02) =   4.759%  kept
    Distance limit 4.20 A violated in 20 structures by 4.71 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.49, residual support = 6.86:
          QB    CYS   50 - HN    ALA   47   3.44 +/- 0.83  95.595% * 65.9408% (0.97   1.50   6.95) =  98.593%  kept
          QE    LYS+  74 - HN    ALA   47   6.98 +/- 0.67   2.717% * 32.8236% (0.98   0.74   0.02) =   1.395%  kept
          HB3   ASP-  78 - HN    ALA   47   8.22 +/- 1.47   1.659% *  0.4434% (0.49   0.02   0.75) =   0.012%
          HB2   PHE   72 - HN    ALA   47  14.76 +/- 0.93   0.027% *  0.2028% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.69 +/- 0.68   0.001% *  0.5894% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.6:
          QG2   THR   46 - HN    ALA   47   3.69 +/- 0.34  99.566% * 97.5708% (0.97   3.21  12.63) =  99.998%  kept
          QG2   VAL   18 - HN    ALA   47  10.19 +/- 0.90   0.292% *  0.5656% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    ALA   47  11.90 +/- 0.89   0.112% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  16.21 +/- 0.86   0.016% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.62 +/- 0.29   0.009% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.14 +/- 0.84   0.005% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.28 +/- 0.09  99.985% * 99.7622% (0.57  10.0   2.36  10.99) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  11.91 +/- 0.69   0.005% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.42 +/- 0.26   0.007% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  14.18 +/- 2.18   0.003% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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   3.29 +/- 0.46  99.960% * 99.3656% (0.25  10.0   3.25  34.50) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  15.20 +/- 1.03   0.014% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  13.91 +/- 0.89   0.023% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.03 +/- 1.39   0.004% *  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 = 0.603, support = 3.58, residual support = 11.9:
          QG2   THR   77 - HN    THR   46   3.35 +/- 0.37  94.530% * 80.5699% (0.61   3.60  11.98) =  98.953%  kept
          HB3   ASP-  44 - HN    THR   46   5.73 +/- 0.46   5.049% * 15.9282% (0.22   1.94   0.02) =   1.045%  kept
          HB3   LEU   80 - HN    THR   46  10.90 +/- 2.46   0.294% *  0.3037% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  12.64 +/- 1.41   0.049% *  0.6988% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.07 +/- 0.80   0.058% *  0.2280% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  15.86 +/- 1.92   0.014% *  0.4779% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  18.48 +/- 1.38   0.005% *  0.4182% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  22.12 +/- 0.66   0.001% *  0.6625% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.48 +/- 0.86   0.001% *  0.7129% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.934, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.27 +/- 1.40  68.128% * 32.0586% (0.99   0.02   0.02) =  75.783%  kept
          QD1   ILE  119 - HN    THR   46  12.49 +/- 0.93  21.340% * 25.8997% (0.80   0.02   0.02) =  19.178%  kept
          HG3   LYS+ 112 - HN    THR   46  15.92 +/- 2.30   8.715% *  9.9831% (0.31   0.02   0.02) =   3.019%  kept
          HB2   LEU  104 - HN    THR   46  18.79 +/- 0.51   1.816% * 32.0586% (0.99   0.02   0.02) =   2.021%  kept
    Distance limit 4.63 A violated in 20 structures by 4.85 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   2.43 +/- 0.35  99.656% * 97.4004% (0.97   3.39  34.50) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   8.01 +/- 0.75   0.122% *  0.5948% (1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    THR   46   8.66 +/- 0.94   0.104% *  0.5639% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    THR   46   9.42 +/- 0.96   0.107% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  13.09 +/- 0.68   0.005% *  0.4095% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.38 +/- 0.31   0.003% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  16.50 +/- 1.59   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.83 +/- 0.88   0.001% *  0.3136% (0.53   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 = 1.95:
          QG1   VAL   75 - HN    THR   46   3.73 +/- 0.77  99.466% * 99.0129% (0.92   1.66   1.95) =  99.995%  kept
          QD1   LEU  115 - HN    THR   46  10.95 +/- 1.51   0.534% *  0.9871% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   4.16 +/- 0.56  98.775% * 94.1909% (0.65   3.30  27.19) =  99.994%  kept
          QB    SER   48 - HN    PHE   45  10.99 +/- 0.52   0.397% *  0.6747% (0.76   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    PHE   45  10.97 +/- 1.28   0.438% *  0.3012% (0.34   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  16.03 +/- 2.28   0.051% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  13.95 +/- 0.65   0.090% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.68 +/- 0.76   0.046% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.28 +/- 1.06   0.078% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.94 +/- 0.81   0.019% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.07 +/- 0.60   0.019% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  15.64 +/- 1.72   0.063% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  18.31 +/- 0.85   0.016% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  20.52 +/- 1.02   0.009% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 81.0:
      O   HB2   PHE   45 - HN    PHE   45   2.53 +/- 0.38  99.960% * 99.8561% (0.99  10.0   3.68  80.97) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.92 +/- 0.80   0.029% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.37 +/- 1.71   0.011% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 81.0:
      O   HB3   PHE   45 - HN    PHE   45   3.48 +/- 0.33  99.113% * 99.6079% (0.87  10.0   4.01  80.97) = 100.000%  kept
          HB    VAL  107 - HN    PHE   45   8.19 +/- 0.59   0.758% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  12.97 +/- 1.46   0.056% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  15.30 +/- 2.34   0.025% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.33 +/- 1.14   0.044% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.47 +/- 0.74   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.48, support = 4.04, residual support = 19.8:
          HB3   ASP-  44 - HN    PHE   45   3.43 +/- 0.53  86.578% * 64.5645% (0.49   4.10  20.26) =  96.865%  kept
          QG2   THR   77 - HN    PHE   45   5.84 +/- 0.77   5.507% * 25.7931% (0.31   2.58   8.71) =   2.462%  kept
          HB3   PRO   93 - HN    PHE   45   5.72 +/- 0.85   7.122% *  5.4136% (0.15   1.08   0.02) =   0.668%  kept
          HG2   LYS+ 111 - HN    PHE   45  13.26 +/- 1.97   0.250% *  0.5970% (0.92   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    PHE   45   9.69 +/- 0.80   0.241% *  0.3923% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    PHE   45  13.35 +/- 3.45   0.067% *  0.4696% (0.73   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  13.64 +/- 1.53   0.047% *  0.4443% (0.69   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   45  12.00 +/- 1.44   0.082% *  0.1613% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   45  11.68 +/- 1.37   0.087% *  0.1133% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  16.72 +/- 1.19   0.009% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.60 +/- 0.49   0.004% *  0.6453% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  18.65 +/- 0.87   0.005% *  0.2206% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.71 +/- 0.95   0.002% *  0.6242% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.877, support = 0.02, residual support = 2.76:
          QD1   ILE   89 - HN    PHE   45   9.25 +/- 2.33  50.287% * 30.6068% (0.80   0.02   4.69) =  46.346%  kept
          QG2   VAL   83 - HN    PHE   45   9.97 +/- 2.29  35.127% * 37.4664% (0.98   0.02   1.48) =  39.631%  kept
          QD2   LEU   31 - HN    PHE   45  11.42 +/- 0.99  14.586% * 31.9268% (0.84   0.02   0.02) =  14.023%  kept
    Distance limit 4.33 A violated in 18 structures by 3.41 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   3.50 +/- 0.31  99.829% * 98.4423% (1.00   4.10  12.48) =  99.999%  kept
          HB    VAL  107 - HN    THR   46  12.08 +/- 0.64   0.073% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  14.25 +/- 1.59   0.031% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  14.01 +/- 1.44   0.038% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  14.97 +/- 1.16   0.022% *  0.0651% (0.14   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.83 +/- 1.07   0.004% *  0.2918% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  20.66 +/- 1.32   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   4.91 +/- 0.31  99.934% * 77.1198% (0.87  1.00   0.75   8.19) =  99.981%  kept
        T HN    VAL   83 - HN    CYS   53  17.44 +/- 1.63   0.066% * 22.8802% (0.97 10.00   0.02   0.02) =   0.019%
    Distance limit 4.75 A violated in 0 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 = 53.8:
      O   HA    PRO   52 - HN    CYS   53   3.48 +/- 0.02  99.868% * 99.8358% (0.61  10.0   7.18  53.82) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.85 +/- 0.96   0.132% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    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 = 44.0:
      O   HA    CYS   53 - HN    CYS   53   2.77 +/- 0.03  99.996% * 99.7036% (0.90  10.0   4.78  44.02) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.99 +/- 0.98   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.80 +/- 1.27   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.22 +/- 1.16   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  23.40 +/- 1.04   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.54 +/- 1.36   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.20 +/- 1.39   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.15, residual support = 53.3:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.01  98.432% * 60.8443% (0.34   8.20  53.82) =  99.089%  kept
          HA2   GLY   51 - HN    CYS   53   4.57 +/- 0.21   1.514% * 36.3712% (0.49   3.43   0.02) =   0.911%  kept
          QB    SER   48 - HN    CYS   53   8.35 +/- 0.45   0.041% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.79 +/- 0.83   0.009% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.43 +/- 1.02   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  18.96 +/- 0.96   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.90 +/- 0.99   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.61 +/- 0.94   0.000% *  0.4116% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.21 +/- 0.96   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.10 +/- 1.44   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.54 +/- 0.91   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  30.02 +/- 1.55   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.969, support = 4.95, residual support = 44.3:
      O   HB2   CYS   53 - HN    CYS   53   2.64 +/- 0.34  85.875% * 84.8482% (0.98  10.0   4.92  44.02) =  97.206%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  14.015% * 14.9452% (0.57   1.0   6.10  53.82) =   2.794%  kept
          HD2   PRO   58 - HN    CYS   53   8.34 +/- 0.34   0.108% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  17.85 +/- 2.13   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.87 +/- 1.36   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.80 +/- 1.01   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 44.0:
      O   HB3   CYS   53 - HN    CYS   53   2.54 +/- 0.47  93.498% * 99.5214% (0.97  10.0   5.72  44.02) =  99.993%  kept
          HD3   PRO   93 - HN    CYS   53   5.22 +/- 1.30   3.231% *  0.1029% (1.00   1.0   0.02   0.02) =   0.004%
          QB    PHE   55 - HN    CYS   53   5.03 +/- 0.27   2.900% *  0.0995% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   7.26 +/- 0.50   0.322% *  0.0952% (0.92   1.0   0.02  31.90) =   0.000%
          HB2   PHE   59 - HN    CYS   53   9.76 +/- 0.83   0.049% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.23 +/- 1.03   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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   3.39 +/- 1.13  98.710% * 98.0457% (0.69   2.96   8.19) =  99.990%  kept
          QE    LYS+  74 - HN    CYS   53   9.72 +/- 1.09   0.911% *  0.7010% (0.73   0.02   0.02) =   0.007%
          HB3   ASP-  78 - HN    CYS   53  11.71 +/- 1.87   0.370% *  0.8064% (0.84   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   53  20.28 +/- 1.52   0.008% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.31 +/- 0.85   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.21, residual support = 53.8:
          HG2   PRO   52 - HN    CYS   53   3.41 +/- 0.62  97.810% * 94.9828% (0.25   7.21  53.82) =  99.984%  kept
          HG2   MET   92 - HN    CYS   53   7.79 +/- 1.53   1.698% *  0.8079% (0.76   0.02   0.02) =   0.015%
          QG    GLU- 114 - HN    CYS   53  12.77 +/- 1.36   0.083% *  0.7261% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  11.32 +/- 1.55   0.199% *  0.2636% (0.25   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   53  11.09 +/- 1.32   0.154% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  14.57 +/- 1.04   0.034% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  16.13 +/- 1.13   0.018% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.75 +/- 1.52   0.002% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.48 +/- 1.66   0.002% *  0.2353% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  32.01 +/- 1.10   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.88 +/- 2.04   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.969, support = 7.16, residual support = 53.5:
          HG3   PRO   52 - HN    CYS   53   3.66 +/- 0.57  74.785% * 90.6425% (0.98   7.21  53.82) =  98.654%  kept
          HB2   ARG+  54 - HN    CYS   53   5.49 +/- 0.65  10.847% *  8.3817% (0.18   3.73  31.90) =   1.323%  kept
          HB2   PRO   93 - HN    CYS   53   5.58 +/- 1.58  14.146% *  0.1055% (0.41   0.02   0.02) =   0.022%
          HG2   PRO   58 - HN    CYS   53  10.28 +/- 0.31   0.181% *  0.2515% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.50 +/- 1.57   0.040% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  26.09 +/- 2.20   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.72 +/- 1.26   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  35.46 +/- 1.57   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 = 0.652, support = 7.34, residual support = 53.4:
      O   HB3   PRO   52 - HN    CYS   53   3.60 +/- 0.41  83.822% * 77.7970% (0.65  10.0   7.41  53.82) =  97.891%  kept
          HG2   ARG+  54 - HN    CYS   53   5.71 +/- 0.40   6.559% * 21.3816% (0.90   1.0   3.96  31.90) =   2.105%  kept
          HB    ILE   56 - HN    CYS   53   6.00 +/- 1.36   9.440% *  0.0238% (0.20   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  11.24 +/- 1.39   0.127% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.62 +/- 0.91   0.024% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  16.04 +/- 1.07   0.014% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.42 +/- 1.12   0.004% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  20.44 +/- 1.33   0.003% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.52 +/- 0.91   0.001% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.00 +/- 1.24   0.001% *  0.1138% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.19 +/- 1.43   0.001% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.37 +/- 1.05   0.002% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.54 +/- 1.03   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 = 45.3:
        T HN    GLN   32 - HN    LEU   31   2.73 +/- 0.12  95.771% * 99.2679% (0.78 10.00   5.86  45.35) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.65 +/- 0.19   4.198% *  0.0183% (0.14  1.00   0.02   5.29) =   0.001%
          HN    THR   94 - HN    PHE   55  10.72 +/- 0.61   0.029% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  22.92 +/- 3.73   0.000% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.02 +/- 0.87   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  29.47 +/- 1.11   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.31 +/- 1.00   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  28.27 +/- 0.99   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 6.91, residual support = 48.3:
        T HN    GLN   30 - HN    LEU   31   2.46 +/- 0.05  96.441% * 81.7747% (0.53 10.00   6.95  48.69) =  99.214%  kept
          HN    GLU-  29 - HN    LEU   31   4.26 +/- 0.13   3.556% * 17.5585% (0.91  1.00   2.48   0.02) =   0.786%  kept
          HN    VAL   18 - HN    LEU   31  16.22 +/- 0.66   0.001% *  0.0402% (0.26  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LEU   31  22.08 +/- 3.82   0.000% *  0.0934% (0.60  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.50 +/- 0.87   0.000% *  0.3989% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.91 +/- 0.95   0.001% *  0.0196% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.87 +/- 1.62   0.000% *  0.0456% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.52 +/- 0.81   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 = 3.18, residual support = 20.2:
      O   HA    PHE   55 - HN    PHE   55   2.85 +/- 0.05  93.960% * 99.0930% (0.48  10.0   3.18  20.16) =  99.997%  kept
          HA    TRP   27 - HN    LEU   31   4.63 +/- 0.24   5.443% *  0.0276% (0.13   1.0   0.02  16.66) =   0.002%
          HA    ALA  110 - HN    PHE   55   8.02 +/- 2.78   0.564% *  0.1465% (0.71   1.0   0.02   0.28) =   0.001%
          HA    ALA   91 - HN    PHE   55  12.65 +/- 1.77   0.018% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.61 +/- 0.70   0.009% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.61 +/- 0.81   0.006% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.05 +/- 0.87   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  23.55 +/- 1.70   0.000% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.36 +/- 1.77   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.49 +/- 1.39   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.37 +/- 0.95   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  28.07 +/- 1.00   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 = 2.92, residual support = 20.2:
      O   QB    PHE   55 - HN    PHE   55   2.04 +/- 0.08  99.380% * 99.1124% (0.79  10.0   2.92  20.16) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.43 +/- 0.35   0.309% *  0.0867% (0.69   1.0   0.02   3.93) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.59 +/- 0.20   0.238% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.98 +/- 0.96   0.038% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   7.84 +/- 0.52   0.035% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.88 +/- 1.07   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.91 +/- 0.75   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.33 +/- 0.96   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.01 +/- 1.34   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.27 +/- 0.91   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.73 +/- 1.11   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  29.60 +/- 1.51   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 = 0.337, support = 3.54, residual support = 8.96:
      O   HA    ARG+  54 - HN    PHE   55   3.55 +/- 0.03  40.888% * 70.2580% (0.25  10.0   3.37   3.93) =  64.407%  kept
          HA    ASN   28 - HN    LEU   31   3.36 +/- 0.07  57.427% * 27.6400% (0.50   1.0   3.84  18.07) =  35.588%  kept
          HA    ALA   34 - HN    LEU   31   7.09 +/- 0.27   0.667% *  0.1664% (0.58   1.0   0.02   5.29) =   0.002%
          HA    THR   26 - HN    LEU   31   6.87 +/- 0.33   0.821% *  0.1115% (0.39   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    LEU   31  10.03 +/- 1.88   0.149% *  0.1720% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    PHE   55  11.60 +/- 0.81   0.037% *  0.1975% (0.69   1.0   0.02   4.69) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.49 +/- 0.61   0.009% *  0.2153% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.78 +/- 0.86   0.001% *  0.1496% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.20 +/- 1.00   0.000% *  0.1901% (0.66   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.52 +/- 0.90   0.000% *  0.2271% (0.79   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  26.33 +/- 1.26   0.000% *  0.1631% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.96 +/- 0.93   0.000% *  0.2197% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.52 +/- 0.67   0.000% *  0.1473% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  23.69 +/- 1.06   0.000% *  0.0507% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.93 +/- 1.15   0.000% *  0.0532% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.17 +/- 2.20   0.000% *  0.0384% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 7.02, residual support = 230.3:
      O   HA    LEU   31 - HN    LEU   31   2.76 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.02 230.31) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.88 +/- 1.17   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 = 0.47, support = 5.5, residual support = 38.1:
          HB2   GLN   30 - HN    LEU   31   3.36 +/- 0.31  51.609% * 33.9619% (0.48   6.06  48.69) =  66.659%  kept
          HB2   ARG+  54 - HN    PHE   55   3.46 +/- 0.23  42.550% * 14.6873% (0.39   3.27   3.93) =  23.767%  kept
          HG3   GLN   30 - HN    LEU   31   4.95 +/- 0.19   5.108% * 49.2721% (0.60   7.10  48.69) =   9.572%  kept
          HB2   PRO   93 - HN    PHE   55   7.35 +/- 0.84   0.567% *  0.0411% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.60 +/- 1.09   0.040% *  0.1046% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  12.19 +/- 1.31   0.033% *  0.1214% (0.52   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.30 +/- 0.27   0.060% *  0.0432% (0.19   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.90 +/- 0.79   0.011% *  0.1479% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.54 +/- 1.29   0.009% *  0.1046% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  16.07 +/- 0.67   0.004% *  0.0681% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  17.26 +/- 0.66   0.003% *  0.0681% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.45 +/- 1.06   0.001% *  0.1214% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  19.12 +/- 1.16   0.002% *  0.0899% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.49 +/- 1.38   0.001% *  0.0792% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.54 +/- 1.25   0.000% *  0.1603% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.33 +/- 0.83   0.001% *  0.0899% (0.39   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.85 +/- 0.95   0.000% *  0.1479% (0.64   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.00 +/- 1.10   0.000% *  0.1121% (0.48   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  26.09 +/- 0.83   0.000% *  0.1831% (0.79   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.18 +/- 1.07   0.001% *  0.0312% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.91 +/- 1.58   0.000% *  0.0792% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.11 +/- 0.57   0.000% *  0.1603% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  25.62 +/- 0.94   0.000% *  0.0570% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  28.27 +/- 1.34   0.000% *  0.0681% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 7.02, residual support = 230.3:
      O   HB2   LEU   31 - HN    LEU   31   2.41 +/- 0.09  99.793% * 98.5368% (0.78  10.0   7.02 230.31) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.31 +/- 0.44   0.139% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.20 +/- 1.19   0.025% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.64 +/- 1.00   0.010% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.47 +/- 1.27   0.011% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.33 +/- 0.60   0.006% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.01 +/- 0.60   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  15.43 +/- 0.96   0.002% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.99 +/- 1.23   0.003% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  19.04 +/- 4.79   0.001% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  18.08 +/- 0.82   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.47 +/- 0.90   0.002% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  18.94 +/- 2.61   0.001% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  19.20 +/- 0.94   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  21.24 +/- 1.14   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.55 +/- 1.45   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.03 +/- 1.56   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.11 +/- 1.59   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.12 +/- 1.48   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.99 +/- 1.98   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.12 +/- 0.83   0.000% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  28.05 +/- 1.34   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.83 +/- 0.64   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.08 +/- 1.37   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 7.02, residual support = 230.3:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.01  98.312% * 99.4260% (0.83  10.0   7.02 230.31) = 100.000%  kept
          QG1   VAL   24 - HN    LEU   31   8.55 +/- 0.41   0.520% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   8.98 +/- 1.26   0.600% *  0.0167% (0.14   1.0   0.02   3.10) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.25 +/- 0.34   0.095% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.96 +/- 0.57   0.397% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.80 +/- 0.93   0.049% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.70 +/- 0.59   0.009% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.96 +/- 0.77   0.006% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.08 +/- 1.69   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  22.77 +/- 1.87   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  18.41 +/- 1.30   0.006% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.11 +/- 0.82   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  27.96 +/- 1.51   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  29.71 +/- 1.49   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.631, support = 7.16, residual support = 218.9:
          HG    LEU   31 - HN    LEU   31   3.00 +/- 0.53  82.789% * 62.3684% (0.64   7.39 230.31) =  94.669%  kept
          QD1   ILE   56 - HN    PHE   55   4.40 +/- 0.58  13.703% * 19.1577% (0.45   3.22  17.58) =   4.813%  kept
          QD2   LEU   73 - HN    LEU   31   6.32 +/- 0.58   1.586% * 17.7324% (0.78   1.73   1.33) =   0.516%  kept
          QG1   VAL   41 - HN    LEU   31   6.04 +/- 0.54   1.913% *  0.0431% (0.16   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    PHE   55  16.58 +/- 1.02   0.004% *  0.1002% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   31  20.11 +/- 1.15   0.001% *  0.2437% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.34 +/- 1.80   0.001% *  0.1689% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.76 +/- 1.10   0.001% *  0.0824% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.36 +/- 0.50   0.001% *  0.0210% (0.08   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  25.81 +/- 1.39   0.000% *  0.0824% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.78, residual support = 230.3:
          QD2   LEU   31 - HN    LEU   31   2.01 +/- 0.34  99.892% * 97.7107% (0.18   6.78 230.31) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   8.09 +/- 1.30   0.106% *  1.4441% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  14.69 +/- 0.57   0.001% *  0.7045% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.81 +/- 1.21   0.000% *  0.1407% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.597, support = 1.33, residual support = 1.43:
          QD1   LEU   73 - HN    LEU   31   5.20 +/- 0.88  88.846% * 68.0507% (0.60   1.35   1.33) =  97.104%  kept
          QD2   LEU  115 - HN    PHE   55   8.39 +/- 0.76   7.914% * 22.4426% (0.43   0.62   4.69) =   2.852%  kept
          QD1   LEU   63 - HN    PHE   55  10.71 +/- 0.42   1.650% *  0.4921% (0.29   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    LEU   31  14.77 +/- 5.29   0.434% *  1.5048% (0.90   0.02   0.02) =   0.010%
          QD1   LEU  104 - HN    LEU   31  14.06 +/- 1.05   0.386% *  1.5455% (0.92   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU   31  14.95 +/- 0.83   0.215% *  1.0087% (0.60   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    LEU   31  15.32 +/- 3.21   0.182% *  1.0087% (0.60   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    PHE   55  16.95 +/- 1.24   0.108% *  0.7341% (0.44   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   31  20.11 +/- 1.05   0.036% *  1.4750% (0.88   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    PHE   55  17.24 +/- 0.66   0.100% *  0.4921% (0.29   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    PHE   55  17.44 +/- 2.15   0.094% *  0.4921% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    PHE   55  20.06 +/- 0.74   0.037% *  0.7539% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 6 structures by 0.58 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.665, support = 7.51, residual support = 48.0:
          HB3   GLN   30 - HN    LEU   31   3.30 +/- 0.23  84.832% * 87.3283% (0.68   7.59  48.69) =  97.892%  kept
          HB    ILE   56 - HN    PHE   55   4.71 +/- 0.86  14.762% * 10.8039% (0.17   3.72  17.58) =   2.107%  kept
          HB3   PRO   58 - HN    PHE   55   8.57 +/- 0.41   0.292% *  0.1516% (0.44   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    PHE   55  11.84 +/- 1.05   0.050% *  0.1341% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.12 +/- 0.46   0.023% *  0.1668% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  13.11 +/- 1.24   0.028% *  0.0489% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  17.25 +/- 1.80   0.005% *  0.1190% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.11 +/- 1.59   0.001% *  0.2750% (0.81   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.22 +/- 0.63   0.005% *  0.0239% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  26.51 +/- 0.73   0.000% *  0.3107% (0.91   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  25.01 +/- 2.90   0.001% *  0.1795% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.70 +/- 1.02   0.001% *  0.1190% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.83 +/- 0.91   0.001% *  0.1123% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  25.28 +/- 1.81   0.000% *  0.0580% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  30.94 +/- 1.33   0.000% *  0.0814% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.65 +/- 1.44   0.000% *  0.0876% (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 = 0.548, support = 5.68, residual support = 40.6:
          HG2   GLN   30 - HN    LEU   31   5.14 +/- 0.23  47.312% * 75.4966% (0.49   7.14  48.69) =  73.738%  kept
          HB3   ASN   28 - HN    LEU   31   5.05 +/- 0.16  52.633% * 24.1696% (0.71   1.57  18.07) =  26.261%  kept
          QE    LYS+ 121 - HN    LEU   31  20.53 +/- 2.97   0.020% *  0.0544% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.04 +/- 1.37   0.029% *  0.0265% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.88 +/- 0.94   0.004% *  0.1031% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.08 +/- 0.93   0.002% *  0.1498% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.19 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.35, residual support = 48.7:
      O   HA    GLN   30 - HN    LEU   31   3.55 +/- 0.04  87.107% * 98.9089% (0.64  10.0   6.35  48.69) =  99.996%  kept
          HB2   CYS   53 - HN    PHE   55   5.15 +/- 0.17   9.566% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.32 +/- 0.22   2.824% *  0.0537% (0.35   1.0   0.02   0.50) =   0.002%
          HB3   SER   37 - HN    LEU   31   9.18 +/- 0.48   0.308% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   31  10.61 +/- 0.90   0.141% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.90 +/- 2.28   0.008% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  20.64 +/- 4.82   0.006% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.39 +/- 1.50   0.011% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.32 +/- 0.81   0.022% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  22.30 +/- 3.07   0.002% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.18 +/- 2.19   0.002% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.48 +/- 1.19   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  27.82 +/- 1.86   0.000% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.65 +/- 1.44   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.54 +/- 1.28   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  27.24 +/- 0.91   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  27.39 +/- 0.89   0.000% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.38 +/- 1.09   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 = 6.38, residual support = 165.9:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.04  99.892% * 99.0002% (0.61  10.0   6.38 165.89) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.36 +/- 1.13   0.045% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  13.35 +/- 0.87   0.008% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.22 +/- 0.49   0.040% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.51 +/- 0.69   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.62 +/- 1.02   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.34 +/- 1.20   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.02 +/- 1.08   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.39 +/- 1.06   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.31 +/- 0.61   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.82 +/- 0.98   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.58 +/- 1.06   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.71 +/- 0.96   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.38 +/- 0.55   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  21.91 +/- 0.85   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.24 +/- 0.76   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.88 +/- 0.58   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  24.26 +/- 0.70   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 = 3.99, residual support = 87.2:
      O   HB2   TRP   49 - HN    TRP   49   3.54 +/- 0.13  99.824% * 99.6106% (0.98  10.0   3.99  87.20) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  11.18 +/- 1.60   0.150% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.14 +/- 2.16   0.023% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.27 +/- 0.81   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.83 +/- 0.69   0.001% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.6:
          QB    ALA   47 - HE1   TRP   49   3.67 +/- 0.70  99.962% * 98.5650% (1.00   2.55  14.63) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  16.43 +/- 0.90   0.016% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  18.39 +/- 3.28   0.010% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  17.32 +/- 1.28   0.012% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.74, residual support = 14.6:
          QB    ALA   47 - HN    TRP   49   2.62 +/- 0.10  99.993% * 99.0191% (1.00   3.74  14.63) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.42 +/- 0.34   0.002% *  0.5117% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.11 +/- 2.11   0.002% *  0.3642% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  15.37 +/- 0.86   0.003% *  0.1049% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.819, support = 0.0509, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   3.59 +/- 0.62  96.108% * 11.1601% (0.90   0.02   0.02) =  84.041%  kept
          HD3   PRO   52 - HN    ALA   47   6.95 +/- 1.07   3.644% * 55.2346% (0.41   0.22   0.02) =  15.769%  kept
          HD2   PRO   58 - HN    ALA   47  10.61 +/- 1.00   0.199% *  9.9643% (0.80   0.02   0.02) =   0.156%
          HA    VAL   83 - HN    ALA   47  14.46 +/- 1.50   0.045% *  9.0361% (0.73   0.02   0.02) =   0.032%
          HA    GLN   30 - HN    ALA   47  22.23 +/- 0.94   0.002% *  6.0571% (0.49   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ALA   47  25.56 +/- 0.63   0.001% *  8.5478% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.03 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 = 3.12, residual support = 38.1:
      O   HB2   ASP-  44 - HN    ASP-  44   2.81 +/- 0.40  96.517% * 99.4473% (0.87  10.0   3.12  38.09) =  99.997%  kept
          HB3   PHE   72 - HN    ASP-  44   5.44 +/- 0.68   3.440% *  0.0876% (0.76   1.0   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    ASP-  44  14.54 +/- 0.99   0.007% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.49 +/- 0.67   0.015% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  15.29 +/- 1.36   0.007% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  16.05 +/- 1.29   0.004% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.92 +/- 0.62   0.009% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  24.02 +/- 1.45   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.74 +/- 1.74   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 6.55:
          HB2   LEU   73 - HN    ASP-  44   4.28 +/- 0.72  97.251% * 95.6350% (0.87   2.72   6.55) =  99.985%  kept
          QG1   ILE   56 - HN    ASP-  44   9.57 +/- 0.64   1.171% *  0.4924% (0.61   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    ASP-  44  11.55 +/- 1.05   0.404% *  0.7958% (0.98   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ASP-  44  11.96 +/- 0.59   0.346% *  0.5895% (0.73   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    ASP-  44  11.74 +/- 0.83   0.392% *  0.2506% (0.31   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  14.45 +/- 0.76   0.092% *  0.8047% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  14.57 +/- 0.79   0.104% *  0.3952% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ASP-  44  14.37 +/- 2.06   0.136% *  0.1253% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ASP-  44  18.11 +/- 1.98   0.024% *  0.4924% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.06 +/- 1.62   0.032% *  0.2769% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.60 +/- 0.80   0.049% *  0.1422% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 1 structures by 0.18 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 1.25, residual support = 5.99:
          HB2   LYS+  74 - HN    ASP-  44   5.98 +/- 0.55  59.964% * 62.2531% (0.65   1.22   6.00) =  78.573%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.62 +/- 0.80  33.521% * 30.1131% (0.28   1.38   6.00) =  21.247%  kept
          QG2   THR   26 - HN    ASP-  44   9.48 +/- 0.37   4.329% *  1.4114% (0.90   0.02   0.02) =   0.129%
          HG2   LYS+  65 - HN    ASP-  44  13.45 +/- 1.32   0.700% *  1.4887% (0.95   0.02   0.02) =   0.022%
          QD    LYS+  66 - HN    ASP-  44  14.58 +/- 0.88   0.383% *  1.4114% (0.90   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - HN    ASP-  44  15.94 +/- 1.53   0.230% *  1.5426% (0.98   0.02   0.02) =   0.007%
          HG    LEU  104 - HN    ASP-  44  14.18 +/- 0.84   0.384% *  0.6470% (0.41   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HN    ASP-  44  15.41 +/- 1.68   0.298% *  0.4857% (0.31   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - HN    ASP-  44  15.93 +/- 1.25   0.192% *  0.6470% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.66 A violated in 10 structures by 0.91 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.73, residual support = 38.1:
      O   HB3   ASP-  44 - HN    ASP-  44   3.51 +/- 0.43  98.341% * 99.1884% (0.99  10.0   3.73  38.09) =  99.999%  kept
          HB2   LEU   63 - HN    ASP-  44   8.64 +/- 0.69   0.633% *  0.0947% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44   9.65 +/- 1.42   0.385% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44   9.57 +/- 0.95   0.341% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  14.28 +/- 3.41   0.077% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  13.57 +/- 1.48   0.044% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  13.38 +/- 1.12   0.046% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  12.24 +/- 0.87   0.081% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  16.62 +/- 2.00   0.013% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.20 +/- 1.09   0.007% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.73 +/- 0.68   0.016% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.88 +/- 0.99   0.008% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.08 +/- 0.85   0.004% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.24 +/- 0.99   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.10 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   4.14 +/- 0.46  80.298% * 97.7631% (0.90   4.18  15.32) =  99.874%  kept
          QG2   VAL   18 - HN    ASP-  44   6.31 +/- 0.78   9.619% *  0.5210% (1.00   0.02   0.02) =   0.064%
          QG2   THR   46 - HN    ASP-  44   6.30 +/- 0.74   8.230% *  0.5176% (0.99   0.02   0.02) =   0.054%
          QG1   VAL   41 - HN    ASP-  44   9.06 +/- 0.31   0.845% *  0.3792% (0.73   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ASP-  44   9.46 +/- 0.68   0.672% *  0.3991% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ASP-  44  12.99 +/- 0.78   0.100% *  0.3167% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ASP-  44  11.27 +/- 1.22   0.236% *  0.1033% (0.20   0.02   0.02) =   0.000%
    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   3.02 +/- 0.39  99.327% * 99.0029% (0.65   3.71  15.32) =  99.997%  kept
          QD2   LEU   31 - HN    ASP-  44   8.53 +/- 1.07   0.459% *  0.6307% (0.76   0.02   0.02) =   0.003%
          QG2   VAL   83 - HN    ASP-  44  11.16 +/- 2.09   0.125% *  0.2547% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   89 - HN    ASP-  44  11.48 +/- 2.65   0.090% *  0.1117% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.507, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.33 +/- 0.10  84.415% * 36.5033% (0.53   0.02   0.02) =  89.795%  kept
          HA    THR   23 - HN    VAL   43  11.51 +/- 1.31  14.790% * 21.4145% (0.31   0.02   0.02) =   9.230%  kept
          HA    ASP-  78 - HN    VAL   43  18.26 +/- 0.77   0.795% * 42.0822% (0.61   0.02   0.02) =   0.975%  kept
    Distance limit 4.56 A violated in 20 structures by 3.54 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   4.69 +/- 0.30 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.19 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   3.07 +/- 0.44  99.667% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43   9.92 +/- 0.57   0.140% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.70 +/- 0.69   0.138% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.78 +/- 0.80   0.017% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.87 +/- 0.74   0.017% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  15.29 +/- 0.83   0.009% *  0.4957% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.62 +/- 0.77   0.011% *  0.3323% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.22, residual support = 60.6:
      O   HB    VAL   43 - HN    VAL   43   2.78 +/- 0.32  99.950% * 99.7821% (0.87  10.0   4.22  60.58) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.69 +/- 0.68   0.042% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.43 +/- 0.59   0.004% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  20.19 +/- 1.69   0.001% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  16.83 +/- 1.99   0.003% *  0.0201% (0.18   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 = 0.822, support = 5.2, residual support = 35.8:
          HB    VAL   42 - HN    VAL   43   4.26 +/- 0.22  53.725% * 61.6187% (0.84   5.65  39.49) =  88.716%  kept
          HB3   LEU   73 - HN    VAL   43   5.98 +/- 1.09  11.748% * 22.6272% (0.90   1.93   8.34) =   7.123%  kept
          HG    LEU   98 - HN    VAL   43   5.62 +/- 1.44  19.244% *  5.9204% (0.49   0.93   0.02) =   3.053%  kept
          HB3   ASP-  44 - HN    VAL   43   6.45 +/- 0.35   4.646% *  7.2367% (0.25   2.22  15.32) =   0.901%  kept
          QB    LEU   98 - HN    VAL   43   6.04 +/- 0.61   8.562% *  0.8579% (0.18   0.38   0.02) =   0.197%
          HG3   LYS+ 106 - HN    VAL   43   8.72 +/- 0.85   1.023% *  0.2604% (1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    VAL   43   8.91 +/- 0.67   0.712% *  0.0457% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.18 +/- 0.76   0.179% *  0.1688% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  14.03 +/- 1.00   0.044% *  0.2409% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  14.39 +/- 1.00   0.038% *  0.1994% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.68 +/- 1.10   0.024% *  0.2180% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  15.98 +/- 1.55   0.023% *  0.1583% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.19 +/- 0.69   0.009% *  0.2518% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.26 +/- 1.06   0.018% *  0.0979% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.86 +/- 1.20   0.004% *  0.0979% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 60.6:
          QG1   VAL   43 - HN    VAL   43   2.50 +/- 0.49  98.992% * 98.2025% (0.90   5.22  60.58) =  99.997%  kept
          QG1   VAL   41 - HN    VAL   43   6.48 +/- 0.30   0.658% *  0.3047% (0.73   0.02   1.41) =   0.002%
          QG2   VAL   18 - HN    VAL   43   8.88 +/- 0.84   0.105% *  0.4187% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.49 +/- 0.86   0.065% *  0.4159% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.51 +/- 0.77   0.059% *  0.2545% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.40 +/- 0.74   0.038% *  0.3207% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.61 +/- 1.17   0.083% *  0.0830% (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 = 0.687, support = 1.97, residual support = 2.23:
          QG2   VAL   41 - HN    VAL   43   5.48 +/- 0.52  18.512% * 88.4480% (0.73   2.23   1.41) =  86.199%  kept
          QD1   LEU   73 - HN    VAL   43   5.08 +/- 0.41  27.182% *  8.4861% (0.45   0.35   8.34) =  12.144%  kept
          QD2   LEU   98 - HN    VAL   43   4.74 +/- 1.11  44.362% *  0.5740% (0.53   0.02   0.02) =   1.341%  kept
          QD1   LEU   63 - HN    VAL   43   6.45 +/- 0.69   7.144% *  0.4891% (0.45   0.02   0.02) =   0.184%
          QD2   LEU   63 - HN    VAL   43   7.64 +/- 0.77   2.205% *  1.0694% (0.98   0.02   0.02) =   0.124%
          QD1   LEU   80 - HN    VAL   43  14.96 +/- 4.36   0.145% *  0.5740% (0.53   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    VAL   43  11.12 +/- 0.89   0.245% *  0.1911% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   43  13.89 +/- 4.20   0.205% *  0.1683% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.11, residual support = 39.5:
          QG1   VAL   42 - HN    VAL   43   2.58 +/- 0.31  99.906% * 99.2428% (0.97   5.11  39.49) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.53 +/- 0.70   0.085% *  0.0796% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.00 +/- 0.22   0.008% *  0.4013% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  18.03 +/- 1.28   0.001% *  0.2763% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.754, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   7.36 +/- 1.10  89.473% * 27.6841% (0.73   0.02   0.02) =  86.842%  kept
          QD1   ILE   89 - HN    VAL   43  13.04 +/- 2.53   6.619% * 34.1913% (0.90   0.02   0.02) =   7.934%  kept
          QG2   VAL   83 - HN    VAL   43  13.28 +/- 2.50   3.908% * 38.1246% (1.00   0.02   0.02) =   5.224%  kept
    Distance limit 4.04 A violated in 20 structures by 3.17 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.15, residual support = 22.3:
          HB    VAL   41 - HN    VAL   42   3.90 +/- 0.21  64.856% * 88.0815% (0.97   5.30  23.52) =  94.352%  kept
          HB2   LEU   71 - HN    VAL   42   4.52 +/- 0.87  34.127% * 10.0135% (0.22   2.61   2.37) =   5.644%  kept
          HG12  ILE  103 - HN    VAL   42   9.89 +/- 0.84   0.326% *  0.3441% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  10.95 +/- 0.97   0.188% *  0.2874% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.17 +/- 0.59   0.122% *  0.1174% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  15.35 +/- 2.04   0.030% *  0.3086% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.54 +/- 0.77   0.123% *  0.0531% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  12.30 +/- 0.51   0.076% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  12.03 +/- 0.33   0.083% *  0.0681% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  13.09 +/- 0.76   0.049% *  0.0766% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.73 +/- 0.80   0.012% *  0.1948% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  19.83 +/- 1.53   0.005% *  0.3086% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.75 +/- 0.94   0.003% *  0.0603% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 5.55, residual support = 88.4:
      O   HB    VAL   42 - HN    VAL   42   2.67 +/- 0.33  96.132% * 99.1706% (0.98  10.0   5.55  88.36) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   5.91 +/- 0.64   1.156% *  0.0957% (0.95   1.0   0.02   1.20) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.93 +/- 0.61   1.186% *  0.0573% (0.57   1.0   0.02   0.63) =   0.001%
          HG    LEU   98 - HN    VAL   42   6.15 +/- 0.95   1.409% *  0.0137% (0.14   1.0   0.02   0.63) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  11.09 +/- 0.92   0.024% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.67 +/- 0.80   0.021% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.21 +/- 0.57   0.043% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.76 +/- 0.81   0.007% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.33 +/- 1.10   0.005% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.74 +/- 2.27   0.008% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.76 +/- 1.26   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.63 +/- 0.89   0.005% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.93 +/- 0.64   0.001% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  18.51 +/- 3.61   0.001% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  18.41 +/- 1.62   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.961, residual support = 1.29:
          QD1   LEU   40 - HN    VAL   42   4.49 +/- 0.58  96.343% * 97.3402% (0.98   0.96   1.29) =  99.937%  kept
          QD2   LEU   67 - HN    VAL   42   8.35 +/- 0.73   3.506% *  1.6542% (0.80   0.02   0.02) =   0.062%
          QG1   VAL  108 - HN    VAL   42  13.65 +/- 0.55   0.151% *  1.0056% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.822, support = 4.85, residual support = 32.5:
          QG1   VAL   43 - HN    VAL   42   4.40 +/- 0.81  52.281% * 50.3742% (0.90   4.47  39.49) =  56.200%  kept
          QG1   VAL   41 - HN    VAL   42   4.46 +/- 0.07  42.099% * 48.7311% (0.73   5.34  23.52) =  43.778%  kept
          QD1   ILE   19 - HN    VAL   42   7.57 +/- 0.78   2.226% *  0.1922% (0.76   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    VAL   42   8.09 +/- 0.80   1.484% *  0.2509% (1.00   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    VAL   42   9.33 +/- 0.78   0.612% *  0.1525% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   8.50 +/- 0.99   1.103% *  0.0498% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.22 +/- 0.87   0.196% *  0.2493% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.721, support = 5.81, residual support = 23.2:
          QG2   VAL   41 - HN    VAL   42   3.16 +/- 0.24  80.751% * 88.6052% (0.73   5.88  23.52) =  98.638%  kept
          QD1   LEU   73 - HN    VAL   42   4.61 +/- 0.53  10.665% *  6.8008% (0.45   0.73   1.20) =   1.000%  kept
          QD2   LEU   98 - HN    VAL   42   5.16 +/- 0.73   7.088% *  3.6465% (0.53   0.33   0.63) =   0.356%
          QD2   LEU   63 - HN    VAL   42   7.55 +/- 0.79   0.711% *  0.4066% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   42   7.29 +/- 0.72   0.733% *  0.1860% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    VAL   42  16.48 +/- 4.39   0.012% *  0.2183% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.73 +/- 0.85   0.021% *  0.0727% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  15.36 +/- 4.03   0.018% *  0.0640% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 88.4:
          QG1   VAL   42 - HN    VAL   42   3.73 +/- 0.12  99.977% * 99.2613% (0.87   5.46  88.36) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.55 +/- 0.22   0.019% *  0.3204% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.60 +/- 1.11   0.004% *  0.4183% (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 = 0.6, support = 5.28, residual support = 87.1:
          QG2   VAL   42 - HN    VAL   42   2.83 +/- 0.44  78.492% * 94.7162% (0.61   5.34  88.36) =  98.577%  kept
          QG2   VAL   70 - HN    VAL   42   3.71 +/- 0.33  21.362% *  5.0215% (0.14   1.27   1.21) =   1.422%  kept
          QG2   VAL   75 - HN    VAL   42   8.64 +/- 0.62   0.146% *  0.2623% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 73.6:
      O   HB    VAL   41 - HN    VAL   41   3.12 +/- 0.22  94.659% * 99.3523% (0.90  10.0   4.37  73.64) =  99.996%  kept
          HB2   LEU   71 - HN    VAL   41   5.69 +/- 1.02   4.286% *  0.0672% (0.61   1.0   0.02   3.04) =   0.003%
          QB    LYS+ 102 - HN    VAL   41   7.69 +/- 0.67   0.528% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   41   7.88 +/- 0.74   0.461% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.09 +/- 1.04   0.035% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.53 +/- 0.52   0.010% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  15.67 +/- 2.21   0.013% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.55 +/- 0.70   0.002% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.12 +/- 0.69   0.006% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  22.86 +/- 1.58   0.001% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.177, support = 3.87, residual support = 20.0:
          HG    LEU   40 - HN    VAL   41   3.53 +/- 0.70  96.994% * 62.2789% (0.18   3.90  20.11) =  99.400%  kept
          HG    LEU   73 - HN    VAL   41   7.89 +/- 0.97   1.410% * 24.3006% (0.61   0.44   0.02) =   0.564%  kept
          HB3   LEU   67 - HN    VAL   41   8.96 +/- 0.77   0.721% *  1.7271% (0.95   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - HN    VAL   41   9.32 +/- 0.78   0.433% *  0.8887% (0.49   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    VAL   41  11.11 +/- 1.37   0.217% *  1.6374% (0.90   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    VAL   41  13.78 +/- 0.89   0.044% *  1.4619% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.67 +/- 0.40   0.030% *  1.8217% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  13.85 +/- 2.34   0.082% *  0.6228% (0.34   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    VAL   41  14.44 +/- 0.61   0.033% *  0.5635% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.53 +/- 0.93   0.010% *  1.7271% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  22.42 +/- 5.21   0.006% *  1.7620% (0.97   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  16.57 +/- 0.83   0.015% *  0.3197% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  22.01 +/- 3.91   0.004% *  0.8887% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 1.46, residual support = 7.66:
          QB    ALA   34 - HN    VAL   41   4.57 +/- 0.47  60.347% * 73.6169% (0.90   1.45   9.17) =  83.076%  kept
          QG2   THR   39 - HN    VAL   41   5.03 +/- 0.69  38.847% * 23.2850% (0.28   1.48   0.25) =  16.915%  kept
          HG3   LYS+  38 - HN    VAL   41   9.90 +/- 0.95   0.655% *  0.5940% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  14.93 +/- 0.97   0.053% *  1.1190% (0.99   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    VAL   41  14.74 +/- 1.00   0.055% *  0.8198% (0.73   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    VAL   41  16.43 +/- 0.64   0.027% *  0.2514% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.04 +/- 1.37   0.017% *  0.3139% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.56, residual support = 20.1:
          QD2   LEU   40 - HN    VAL   41   2.44 +/- 0.68  98.658% * 97.7739% (0.92   4.56  20.11) =  99.995%  kept
          QD1   LEU   67 - HN    VAL   41   7.69 +/- 1.21   0.377% *  0.4396% (0.95   0.02   0.02) =   0.002%
          QD2   LEU   71 - HN    VAL   41   7.25 +/- 0.50   0.437% *  0.3006% (0.65   0.02   3.04) =   0.001%
          QD1   ILE  103 - HN    VAL   41   7.81 +/- 0.94   0.349% *  0.2445% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.16 +/- 0.36   0.160% *  0.4606% (0.99   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    VAL   41  15.43 +/- 0.76   0.004% *  0.4637% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  12.98 +/- 1.07   0.010% *  0.1585% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  14.43 +/- 0.67   0.005% *  0.1585% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 73.6:
          QG1   VAL   41 - HN    VAL   41   2.01 +/- 0.20  99.485% * 98.1993% (1.00   4.52  73.64) =  99.999%  kept
          QG1   VAL   43 - HN    VAL   41   6.37 +/- 0.95   0.167% *  0.4113% (0.95   0.02   1.41) =   0.001%
          QD2   LEU   73 - HN    VAL   41   6.42 +/- 0.64   0.138% *  0.1949% (0.45   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   41   6.56 +/- 0.66   0.163% *  0.0861% (0.20   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   8.32 +/- 1.21   0.028% *  0.2637% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41   9.70 +/- 0.78   0.014% *  0.1342% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.47 +/- 0.81   0.004% *  0.3323% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.57 +/- 0.90   0.001% *  0.2813% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.68 +/- 0.78   0.001% *  0.0968% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.703, support = 4.03, residual support = 67.7:
          QG2   VAL   41 - HN    VAL   41   3.71 +/- 0.09  63.439% * 79.0041% (0.73   4.37  73.64) =  88.246%  kept
          QD2   LEU   98 - HN    VAL   41   4.18 +/- 0.46  33.962% * 19.6361% (0.53   1.50  23.17) =  11.742%  kept
          QD1   LEU   73 - HN    VAL   41   6.91 +/- 0.61   1.750% *  0.2231% (0.45   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    VAL   41   8.71 +/- 0.77   0.482% *  0.4878% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   41   9.15 +/- 0.73   0.327% *  0.2231% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  19.28 +/- 4.70   0.008% *  0.2618% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.25 +/- 0.93   0.022% *  0.0872% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  18.20 +/- 4.39   0.011% *  0.0768% (0.15   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 = 2.74, residual support = 2.74:
          QG2   VAL   70 - HN    VAL   41   4.25 +/- 0.29  99.081% * 98.4609% (0.18   2.74   2.74) =  99.986%  kept
          QG2   THR  118 - HN    VAL   41   9.55 +/- 0.81   0.919% *  1.5391% (0.38   0.02   0.02) =   0.014%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.324, support = 1.55, residual support = 32.7:
          HA    VAL   70 - HN    LEU   40   2.98 +/- 0.64  95.169% * 38.4503% (0.28   1.61  35.25) =  92.801%  kept
          HB2   SER   37 - HN    LEU   40   6.24 +/- 0.77   4.778% * 59.3910% (0.92   0.75   0.02) =   7.197%  kept
          HA1   GLY   16 - HN    LEU   40  11.80 +/- 1.02   0.050% *  1.6817% (0.98   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    LEU   40  18.75 +/- 1.05   0.002% *  0.4770% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 24.1:
          HB    THR   39 - HN    LEU   40   3.47 +/- 0.63  96.116% * 94.9726% (0.41   3.92  24.11) =  99.985%  kept
          HB3   SER   37 - HN    LEU   40   6.45 +/- 0.57   3.731% *  0.3281% (0.28   0.02   0.02) =   0.013%
          HA    GLN   30 - HN    LEU   40  11.34 +/- 0.96   0.119% *  1.1161% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  14.54 +/- 1.51   0.031% *  0.5290% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.37 +/- 1.06   0.001% *  0.6680% (0.57   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  28.10 +/- 3.80   0.001% *  0.9017% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.99 +/- 1.25   0.001% *  1.1565% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  26.91 +/- 2.38   0.001% *  0.3281% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.562, support = 0.72, residual support = 12.6:
          QE    LYS+  99 - HN    LEU   40   4.46 +/- 0.39  96.329% * 52.3121% (0.57   0.72  12.77) =  98.535%  kept
          QE    LYS+  38 - HN    LEU   40   9.10 +/- 0.81   1.782% * 39.8430% (0.31   1.00   0.02) =   1.388%  kept
          HB2   PHE   97 - HN    LEU   40  10.02 +/- 1.27   1.205% *  2.4896% (0.97   0.02   0.74) =   0.059%
          HB3   TRP   27 - HN    LEU   40  12.95 +/- 1.21   0.240% *  2.5286% (0.98   0.02   0.02) =   0.012%
          QE    LYS+ 106 - HN    LEU   40  14.62 +/- 0.87   0.087% *  1.4605% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  12.36 +/- 1.14   0.292% *  0.3980% (0.15   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    LEU   40  15.51 +/- 0.78   0.065% *  0.9682% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.71, residual support = 101.4:
      O   HB2   LEU   40 - HN    LEU   40   2.55 +/- 0.26  99.981% * 99.7221% (0.97  10.0   4.71 101.43) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.39 +/- 0.62   0.006% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.69 +/- 1.41   0.004% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.18 +/- 1.13   0.008% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.31 +/- 2.19   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.53 +/- 0.61   0.000% *  0.0463% (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 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.614, support = 4.91, residual support = 101.4:
      O   HB3   LEU   40 - HN    LEU   40   2.67 +/- 0.23  94.093% * 68.9687% (0.61  10.0   4.89 101.43) =  97.622%  kept
          HG    LEU   40 - HN    LEU   40   4.44 +/- 0.18   5.189% * 30.4604% (0.92   1.0   5.80 101.43) =   2.377%  kept
          HG    LEU   67 - HN    LEU   40   8.26 +/- 1.30   0.209% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   7.00 +/- 0.83   0.441% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.18 +/- 0.79   0.035% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  11.70 +/- 0.83   0.017% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.03 +/- 1.45   0.004% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.59 +/- 0.77   0.011% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.69 +/- 1.01   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.66 +/- 1.14   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.314, support = 3.76, residual support = 22.7:
          QG2   THR   39 - HN    LEU   40   2.67 +/- 0.62  94.998% * 42.1478% (0.28   3.90  24.11) =  94.164%  kept
          QB    ALA   34 - HN    LEU   40   5.21 +/- 0.56   4.450% * 55.7171% (0.90   1.60   0.02) =   5.831%  kept
          HG3   LYS+  38 - HN    LEU   40   8.40 +/- 1.04   0.544% *  0.4094% (0.53   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    LEU   40  16.81 +/- 0.86   0.003% *  0.7712% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  16.50 +/- 0.99   0.003% *  0.5650% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.80 +/- 0.73   0.001% *  0.1732% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.79 +/- 1.11   0.001% *  0.2163% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.857, support = 1.38, residual support = 30.2:
          QG1   VAL   70 - HN    LEU   40   3.86 +/- 1.14  74.464% * 63.5227% (0.84   1.50  35.25) =  85.000%  kept
          QD1   LEU   71 - HN    LEU   40   5.32 +/- 1.14  24.859% * 33.5582% (0.98   0.68   1.64) =  14.991%  kept
          HB3   LEU  104 - HN    LEU   40  10.83 +/- 0.86   0.221% *  0.9360% (0.92   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LEU   40  10.87 +/- 0.84   0.179% *  0.7363% (0.73   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   40  11.78 +/- 1.39   0.095% *  0.9939% (0.98   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   40  10.85 +/- 0.92   0.181% *  0.2528% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 4.56, residual support = 93.1:
          QD2   LEU   40 - HN    LEU   40   4.20 +/- 0.16  76.304% * 67.5961% (0.53   4.87 101.43) =  91.617%  kept
          QD2   LEU   71 - HN    LEU   40   5.74 +/- 0.76  15.426% * 30.4296% (0.98   1.18   1.64) =   8.338%  kept
          QD1   LEU   67 - HN    LEU   40   6.81 +/- 1.13   7.690% *  0.2988% (0.57   0.02   0.02) =   0.041%
          QD1   ILE  103 - HN    LEU   40  11.32 +/- 1.02   0.255% *  0.4872% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.34 +/- 0.52   0.210% *  0.3625% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  13.27 +/- 1.24   0.092% *  0.4033% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  16.58 +/- 1.05   0.022% *  0.4226% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.05, residual support = 35.2:
          QG2   VAL   70 - HN    LEU   40   3.39 +/- 0.40 100.000% *100.0000% (0.57   6.05  35.25) = 100.000%  kept
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.252, support = 1.15, residual support = 2.1:
          HA    ALA   34 - HN    THR   39   3.13 +/- 0.26  98.918% * 15.8040% (0.22   1.13   2.21) =  94.886%  kept
          HA    GLU-  36 - HN    THR   39   6.75 +/- 0.36   1.055% * 79.8262% (0.80   1.59   0.02) =   5.113%  kept
          HA    ASN   28 - HN    THR   39  12.93 +/- 0.63   0.022% *  0.4719% (0.38   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    THR   39  20.55 +/- 2.83   0.003% *  1.2135% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.82 +/- 0.78   0.001% *  0.4289% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.75 +/- 0.69   0.000% *  1.1277% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  30.33 +/- 2.54   0.000% *  1.1277% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.853, support = 2.67, residual support = 6.15:
          HA    SER   37 - HN    THR   39   4.17 +/- 0.47  81.178% * 50.4125% (0.90   2.53   2.30) =  82.344%  kept
          HA    LEU   40 - HN    THR   39   5.44 +/- 0.26  18.464% * 47.5202% (0.65   3.31  24.11) =  17.655%  kept
          HA    VAL   42 - HN    THR   39  11.19 +/- 0.39   0.222% *  0.1515% (0.34   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    THR   39  13.23 +/- 1.00   0.085% *  0.3709% (0.84   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  16.49 +/- 1.56   0.024% *  0.3709% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  16.42 +/- 0.68   0.022% *  0.3983% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.50 +/- 0.53   0.002% *  0.4201% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.43 +/- 0.63   0.003% *  0.3556% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.406, support = 3.69, residual support = 38.3:
      O   HB    THR   39 - HN    THR   39   2.65 +/- 0.43  61.296% * 92.9122% (0.41  10.0   3.76  39.77) =  95.969%  kept
          HB3   SER   37 - HN    THR   39   2.94 +/- 0.70  38.656% *  6.1876% (0.28   1.0   1.97   2.30) =   4.031%  kept
          HA    GLN   30 - HN    THR   39   9.78 +/- 0.63   0.043% *  0.2138% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.85 +/- 1.96   0.005% *  0.1013% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.68 +/- 1.15   0.000% *  0.1280% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  29.00 +/- 4.09   0.000% *  0.1727% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.31 +/- 1.39   0.000% *  0.2215% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  28.91 +/- 2.69   0.000% *  0.0628% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.571, support = 3.65, residual support = 34.0:
          QG2   THR   39 - HN    THR   39   2.67 +/- 0.57  84.585% * 21.1081% (0.49   3.76  39.77) =  81.130%  kept
          QB    ALA   34 - HN    THR   39   3.93 +/- 0.32  13.312% * 22.4723% (1.00   1.95   2.21) =  13.594%  kept
          HG3   LYS+  38 - HN    THR   39   5.34 +/- 0.38   2.079% * 55.8482% (0.76   6.33  27.84) =   5.276%  kept
          HG13  ILE   19 - HN    THR   39  11.54 +/- 0.90   0.021% *  0.0457% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.08 +/- 0.74   0.002% *  0.2002% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  19.59 +/- 1.14   0.001% *  0.2131% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.89 +/- 1.30   0.000% *  0.1124% (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 = 6.55, residual support = 221.6:
      O   HA    LYS+  38 - HN    LYS+  38   2.23 +/- 0.04  98.892% * 99.7734% (0.80  10.0   6.55 221.56) =  99.999%  kept
          HA    GLU- 100 - HN    LYS+  38   5.06 +/- 1.09   1.107% *  0.0705% (0.57   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    LYS+  38  16.62 +/- 0.67   0.001% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  28.63 +/- 3.62   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.17 +/- 0.86   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 221.6:
      O   HB2   LYS+  38 - HN    LYS+  38   3.19 +/- 0.23  99.896% * 99.7624% (1.00  10.0   5.95 221.56) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  11.76 +/- 0.87   0.064% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.26 +/- 0.63   0.022% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  15.13 +/- 0.82   0.010% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.48 +/- 1.34   0.007% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.26 +/- 0.27   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  32.91 +/- 1.23   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 = 221.6:
      O   HB3   LYS+  38 - HN    LYS+  38   4.03 +/- 0.11  91.567% * 99.4497% (0.90  10.0   5.20 221.56) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.11 +/- 0.33   7.993% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  10.02 +/- 0.63   0.416% *  0.1099% (0.99   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  17.21 +/- 0.75   0.016% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  22.93 +/- 2.97   0.004% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.79 +/- 1.08   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  27.93 +/- 0.85   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.74 +/- 0.87   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  28.92 +/- 3.27   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  32.53 +/- 1.33   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 = 221.6:
          HG2   LYS+  38 - HN    LYS+  38   3.32 +/- 0.15  99.313% * 98.4050% (0.65   5.86 221.56) =  99.998%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.33 +/- 0.86   0.516% *  0.2731% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.70 +/- 0.31   0.164% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  21.90 +/- 0.63   0.001% *  0.4910% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.48 +/- 0.72   0.005% *  0.0801% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  28.02 +/- 2.81   0.000% *  0.4910% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  29.62 +/- 2.14   0.000% *  0.1443% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 27.8:
          HB2   LYS+  38 - HN    THR   39   4.05 +/- 0.32  98.924% * 99.1474% (1.00   5.54  27.84) =  99.999%  kept
          HB    VAL   70 - HN    THR   39   9.24 +/- 0.60   0.905% *  0.0708% (0.20   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    THR   39  15.71 +/- 0.97   0.038% *  0.2600% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  13.82 +/- 0.75   0.070% *  0.1221% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  14.65 +/- 1.26   0.052% *  0.0893% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  19.24 +/- 0.39   0.010% *  0.1221% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  31.71 +/- 0.99   0.000% *  0.1883% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 3.72, residual support = 27.7:
      O   HB3   SER   37 - HN    SER   37   2.52 +/- 0.17  98.862% * 99.5080% (0.99  10.0   3.72  27.70) =  99.999%  kept
          HB    THR   39 - HN    SER   37   5.48 +/- 0.41   1.057% *  0.0995% (0.99   1.0   0.02   2.30) =   0.001%
          HA    GLN   30 - HN    SER   37   8.49 +/- 0.40   0.078% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.34 +/- 2.42   0.004% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.81 +/- 1.04   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  29.05 +/- 4.44   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  29.96 +/- 2.96   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.40 +/- 1.64   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.4:
          QB    GLU-  36 - HN    SER   37   3.56 +/- 0.20  98.027% * 98.3055% (1.00   3.72  19.39) =  99.998%  kept
          HG3   GLU- 100 - HN    SER   37   7.86 +/- 1.34   1.861% *  0.0925% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    SER   37  11.92 +/- 0.68   0.078% *  0.4583% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.84 +/- 0.83   0.033% *  0.2572% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  25.59 +/- 2.37   0.001% *  0.5236% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  32.98 +/- 1.26   0.000% *  0.3629% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 18.0:
          HG2   LYS+  38 - HN    SER   37   4.77 +/- 0.14  98.585% * 97.4111% (0.38   4.68  18.05) =  99.995%  kept
          HG2   LYS+  99 - HN    SER   37  10.08 +/- 0.86   1.348% *  0.3081% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    SER   37  16.84 +/- 0.70   0.053% *  0.3780% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  21.89 +/- 0.60   0.011% *  1.0982% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  28.06 +/- 2.87   0.003% *  0.8046% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 52.2:
          HB2   ASN   35 - HN    GLU-  36   3.53 +/- 0.14  93.033% * 97.9497% (0.65   6.05  52.21) =  99.967%  kept
          QE    LYS+  33 - HN    GLU-  36   6.11 +/- 0.94   6.918% *  0.4340% (0.87   0.02   0.02) =   0.033%
          HB2   ASN   28 - HN    GLU-  36  12.63 +/- 0.41   0.046% *  0.4732% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.63 +/- 1.45   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  28.27 +/- 4.20   0.001% *  0.4732% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  29.32 +/- 1.37   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.86, residual support = 86.9:
          HG2   GLU-  36 - HN    GLU-  36   3.68 +/- 0.44  99.986% * 99.4361% (0.97   4.86  86.87) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.07 +/- 1.01   0.013% *  0.3394% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.19 +/- 0.88   0.001% *  0.1591% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  30.89 +/- 1.27   0.000% *  0.0654% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.9:
      O   QB    GLU-  36 - HN    GLU-  36   2.24 +/- 0.10  99.934% * 99.6951% (0.90  10.0   7.31  86.87) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.19 +/- 1.58   0.052% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.55 +/- 0.64   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  12.39 +/- 0.73   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.59 +/- 0.54   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  25.29 +/- 2.59   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  32.88 +/- 1.51   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 86.9:
          HG3   GLU-  36 - HN    GLU-  36   3.42 +/- 0.65  99.909% * 97.3278% (0.65   4.86  86.87) = 100.000%  kept
          QG    GLU-  15 - HN    GLU-  36  14.40 +/- 1.99   0.048% *  0.2775% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  19.56 +/- 3.03   0.007% *  0.5551% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  16.76 +/- 2.11   0.015% *  0.1910% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  16.06 +/- 0.70   0.015% *  0.1543% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.78 +/- 0.83   0.004% *  0.2111% (0.34   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.28 +/- 1.41   0.001% *  0.3504% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  25.34 +/- 2.07   0.001% *  0.3013% (0.49   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.55 +/- 1.05   0.000% *  0.4004% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  29.14 +/- 2.12   0.000% *  0.1225% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  32.13 +/- 1.95   0.000% *  0.1084% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.237, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   7.01 +/- 2.36  95.924% * 14.8773% (0.20   0.02   0.02) =  89.160%  kept
          HB2   TRP   27 - HD22  ASN   35  14.50 +/- 1.42   4.004% * 42.5614% (0.57   0.02   0.02) =  10.647%  kept
          HD2   PRO   93 - HD22  ASN   35  28.61 +/- 1.74   0.072% * 42.5614% (0.57   0.02   0.02) =   0.193%
    Distance limit 4.84 A violated in 14 structures by 2.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.61, residual support = 55.6:
      O   HB2   ASN   35 - HD22  ASN   35   3.72 +/- 0.21  99.623% * 99.5004% (0.76  10.0   3.61  55.59) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.61 +/- 1.03   0.250% *  0.0995% (0.76   1.0   0.02   1.47) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  12.27 +/- 1.45   0.125% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  26.97 +/- 5.01   0.001% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  25.94 +/- 1.43   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  30.39 +/- 2.34   0.000% *  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 = 5.72:
          HA    GLN   32 - HD21  ASN   35   3.87 +/- 0.61  95.809% * 53.1203% (0.76   1.57   5.85) =  97.179%  kept
          HA    LYS+  33 - HD21  ASN   35   6.95 +/- 0.56   3.521% * 41.8205% (0.69   1.37   1.47) =   2.812%  kept
          HA    GLU-  29 - HD21  ASN   35   9.06 +/- 0.95   0.612% *  0.7403% (0.83   0.02   0.02) =   0.009%
          HA    VAL   70 - HD21  ASN   35  14.56 +/- 1.00   0.047% *  0.3326% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.50 +/- 1.47   0.007% *  0.7688% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  27.84 +/- 6.05   0.002% *  0.8181% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  30.81 +/- 3.97   0.001% *  0.7097% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  30.81 +/- 1.75   0.000% *  0.8553% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.58 +/- 1.16   0.001% *  0.3326% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  32.54 +/- 2.20   0.000% *  0.5018% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.61, residual support = 55.6:
      O   HB2   ASN   35 - HD21  ASN   35   2.70 +/- 0.44  99.825% * 99.3188% (0.61  10.0   3.61  55.59) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.33 +/- 1.04   0.128% *  0.1469% (0.90   1.0   0.02   1.47) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  11.27 +/- 1.21   0.046% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  26.59 +/- 4.90   0.000% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  25.41 +/- 1.49   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  29.65 +/- 2.21   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 = 4.09, residual support = 44.0:
      O   HA    GLN   32 - HN    GLN   32   2.74 +/- 0.01  81.528% * 97.7834% (0.65  10.0   4.10  44.17) =  99.712%  kept
          HA    GLU-  29 - HN    GLN   32   3.59 +/- 0.21  16.891% *  1.3501% (0.92   1.0   0.19   0.02) =   0.285%
          HA    LYS+  33 - HN    GLN   32   5.29 +/- 0.04   1.571% *  0.1210% (0.80   1.0   0.02  11.03) =   0.002%
          HA    VAL   70 - HN    GLN   32  13.33 +/- 0.59   0.006% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN   32  15.64 +/- 0.77   0.002% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  23.09 +/- 5.25   0.001% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  26.26 +/- 1.31   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  27.03 +/- 3.42   0.000% *  0.1038% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.49 +/- 0.84   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.95 +/- 1.77   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 148.3:
      O   HA    LYS+  33 - HN    LYS+  33   2.87 +/- 0.01  97.296% * 99.4322% (0.87  10.0   5.59 148.26) =  99.998%  kept
          HA    GLU-  29 - HN    LYS+  33   5.46 +/- 0.42   2.319% *  0.0832% (0.73   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    LYS+  33   7.45 +/- 0.49   0.352% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.60 +/- 0.70   0.024% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.49 +/- 0.79   0.006% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  17.93 +/- 1.06   0.002% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  24.60 +/- 4.78   0.000% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.00 +/- 0.85   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.70 +/- 1.08   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.385, support = 3.9, residual support = 24.3:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  35.509% * 73.9540% (0.18  10.0   5.10  33.63) =  71.294%  kept
          HA    THR   26 - HN    GLU-  29   3.37 +/- 0.10  56.713% * 17.6642% (0.95   1.0   0.88   1.12) =  27.197%  kept
          HA    GLU-  25 - HN    GLU-  29   4.84 +/- 0.44   7.689% *  7.2255% (0.22   1.0   1.54   0.02) =   1.508%  kept
          HA    ALA   34 - HN    GLU-  29  11.00 +/- 0.35   0.048% *  0.1303% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.57 +/- 0.46   0.022% *  0.1736% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  13.79 +/- 1.90   0.018% *  0.2055% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.00 +/- 1.10   0.000% *  0.2901% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.70 +/- 1.15   0.000% *  0.2732% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  24.99 +/- 0.73   0.000% *  0.0836% (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 = 4.34, residual support = 105.3:
      O   HB2   ASN   28 - HD22  ASN   28   4.01 +/- 0.17  99.538% * 99.6000% (0.95  10.0   4.34 105.25) = 100.000%  kept
          HB2   ASP-  86 - HD22  ASN   28  14.86 +/- 4.24   0.191% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  12.19 +/- 1.25   0.153% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  13.03 +/- 1.18   0.100% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  18.35 +/- 2.19   0.014% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  22.57 +/- 1.64   0.004% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 153.2:
      O   HG2   GLN   30 - HE21  GLN   30   3.79 +/- 0.09  99.739% * 99.8337% (0.61  10.0   3.98 153.23) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.50 +/- 0.52   0.248% *  0.1375% (0.84   1.0   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  18.49 +/- 2.75   0.013% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 153.2:
      O   HG2   GLN   30 - HE22  GLN   30   2.87 +/- 0.18  99.844% * 99.8337% (0.61  10.0   4.03 153.23) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.84 +/- 0.51   0.154% *  0.1375% (0.84   1.0   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  18.92 +/- 2.70   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 105.3:
      O   HB3   ASN   28 - HD22  ASN   28   3.87 +/- 0.20  99.188% * 99.7665% (0.90  10.0   4.18 105.25) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   8.73 +/- 0.46   0.802% *  0.1110% (1.00   1.0   0.02   8.89) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.43 +/- 2.68   0.006% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  21.90 +/- 1.66   0.004% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 1.7, residual support = 12.6:
          QG2   VAL   24 - HD22  ASN   28   1.87 +/- 0.37  99.999% * 97.9794% (0.97   1.70  12.57) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  16.87 +/- 0.77   0.000% *  0.4485% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  20.24 +/- 1.10   0.000% *  1.0365% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  26.72 +/- 1.82   0.000% *  0.5357% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.78, residual support = 90.4:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.02  99.741% * 99.3483% (0.84  10.0   5.78  90.40) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.75 +/- 0.35   0.052% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.88 +/- 0.33   0.189% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  15.09 +/- 0.44   0.004% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  15.75 +/- 0.80   0.003% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  18.34 +/- 4.85   0.003% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  13.93 +/- 0.65   0.006% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.72 +/- 1.30   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  27.85 +/- 0.73   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  22.92 +/- 3.38   0.000% *  0.0208% (0.18   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 = 5.75, residual support = 33.6:
          HB2   ASN   28 - HN    GLU-  29   2.29 +/- 0.07  99.886% * 98.6477% (0.97   5.75  33.63) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.20 +/- 1.63   0.103% *  0.3190% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.98 +/- 1.05   0.010% *  0.2157% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  18.70 +/- 4.20   0.001% *  0.3284% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  22.44 +/- 1.88   0.000% *  0.3557% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  20.41 +/- 1.74   0.000% *  0.1335% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.665, support = 5.64, residual support = 32.5:
          HB3   ASN   28 - HN    GLU-  29   3.51 +/- 0.19  92.197% * 48.2566% (0.65   5.74  33.63) =  91.743%  kept
          HG2   GLN   30 - HN    GLU-  29   5.45 +/- 0.39   7.801% * 51.3293% (0.87   4.55  19.40) =   8.257%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.49 +/- 2.81   0.001% *  0.2459% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.23 +/- 1.51   0.001% *  0.1682% (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 = 5.23, residual support = 90.4:
          HG2   GLU-  29 - HN    GLU-  29   3.22 +/- 0.52  94.204% * 97.6870% (0.57   5.23  90.40) =  99.988%  kept
          QG    GLN   32 - HN    GLU-  29   6.73 +/- 1.19   5.780% *  0.1834% (0.28   0.02   0.02) =   0.012%
          HB3   PHE   45 - HN    GLU-  29  16.42 +/- 0.68   0.007% *  0.6538% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  18.97 +/- 3.99   0.007% *  0.2712% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.59 +/- 0.63   0.001% *  0.5509% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.92 +/- 1.59   0.000% *  0.6538% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.562, support = 3.86, residual support = 7.93:
          HA    ASN   28 - HN    GLN   30   3.86 +/- 0.07  60.989% * 57.6754% (0.45   4.54   8.89) =  77.942%  kept
          HA    THR   26 - HN    GLN   30   4.58 +/- 0.43  24.740% * 40.2114% (0.97   1.47   4.53) =  22.043%  kept
          HA1   GLY  101 - HN    LYS+  99   5.13 +/- 0.52  13.249% *  0.0311% (0.05   0.02   1.41) =   0.009%
          HA    ALA   34 - HN    GLN   30   8.58 +/- 0.41   0.531% *  0.3668% (0.65   0.02   1.15) =   0.004%
          HA1   GLY  101 - HN    GLN   30  12.31 +/- 1.87   0.089% *  0.4736% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.77 +/- 0.48   0.134% *  0.0875% (0.15   0.02  13.88) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.09 +/- 0.58   0.197% *  0.0241% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.79 +/- 1.07   0.033% *  0.0167% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.46 +/- 0.69   0.001% *  0.2760% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.24 +/- 1.13   0.001% *  0.5363% (0.95   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  17.68 +/- 1.27   0.008% *  0.0352% (0.06   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  23.09 +/- 1.19   0.001% *  0.1934% (0.34   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  15.66 +/- 0.52   0.014% *  0.0181% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.82 +/- 0.93   0.005% *  0.0359% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.73 +/- 0.36   0.007% *  0.0057% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.95 +/- 0.72   0.002% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.42, residual support = 19.4:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.01  97.059% * 99.3278% (1.00  10.0   5.42  19.40) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.88 +/- 0.22   0.737% *  0.0976% (0.98   1.0   0.02   0.27) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.85 +/- 0.18   1.712% *  0.0374% (0.38   1.0   0.02   1.63) =   0.001%
          HA    VAL   18 - HN    GLN   30  13.07 +/- 0.52   0.036% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.14 +/- 0.78   0.037% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.48 +/- 0.70   0.085% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99   9.97 +/- 0.57   0.190% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  19.72 +/- 4.75   0.008% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.46 +/- 0.77   0.020% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  22.52 +/- 1.18   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.74 +/- 1.22   0.030% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.95 +/- 0.56   0.011% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.69 +/- 1.09   0.009% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.29 +/- 0.74   0.055% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  23.93 +/- 3.25   0.001% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.04 +/- 0.73   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  17.65 +/- 0.77   0.006% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.70 +/- 1.61   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  28.19 +/- 5.12   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.47 +/- 0.51   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  28.36 +/- 2.19   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.79 +/- 1.09   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 = 6.23, residual support = 153.2:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.812% * 99.5516% (0.92  10.0   6.23 153.23) = 100.000%  kept
          HB3   SER   37 - HN    GLN   30  10.30 +/- 0.61   0.047% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   30  11.81 +/- 0.92   0.021% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.04 +/- 1.02   0.087% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  19.42 +/- 4.38   0.002% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  17.26 +/- 2.28   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.89 +/- 0.69   0.020% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.75 +/- 1.00   0.006% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  21.70 +/- 3.08   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.01 +/- 1.25   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.29 +/- 1.71   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.28 +/- 1.57   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  27.47 +/- 5.12   0.000% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.59 +/- 0.82   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.03 +/- 1.23   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  24.91 +/- 2.06   0.000% *  0.0022% (0.02   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 = 0.994, support = 6.87, residual support = 147.7:
          HG2   GLN   30 - HN    GLN   30   3.44 +/- 0.31  90.084% * 71.4259% (1.00   7.02 153.23) =  96.155%  kept
          HB3   ASN   28 - HN    GLN   30   5.11 +/- 0.09   9.088% * 28.3093% (0.90   3.10   8.89) =   3.845%  kept
          QE    LYS+ 121 - HN    LYS+  99  10.78 +/- 2.51   0.584% *  0.0097% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  11.03 +/- 1.57   0.217% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.75 +/- 2.84   0.002% *  0.1481% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.98 +/- 1.49   0.002% *  0.0766% (0.38   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.50 +/- 0.98   0.012% *  0.0134% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.86 +/- 1.07   0.010% *  0.0120% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.54, residual support = 153.2:
      O   HB3   GLN   30 - HN    GLN   30   2.95 +/- 0.54  95.312% * 98.7410% (0.69  10.0   6.54 153.23) =  99.997%  kept
          QB    LYS+  33 - HN    GLN   30   5.87 +/- 0.37   2.342% *  0.1044% (0.73   1.0   0.02   0.27) =   0.003%
          HB    ILE  103 - HN    LYS+  99   6.09 +/- 0.15   1.727% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.08 +/- 0.36   0.169% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.69 +/- 0.61   0.237% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.36 +/- 0.52   0.135% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  14.97 +/- 0.51   0.008% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.37 +/- 0.79   0.005% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  19.90 +/- 3.73   0.003% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.42 +/- 1.00   0.003% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.80 +/- 0.73   0.021% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.03 +/- 1.07   0.022% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  20.49 +/- 0.87   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.43 +/- 1.03   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  22.01 +/- 1.56   0.001% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.65 +/- 0.85   0.001% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  24.38 +/- 1.63   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.08 +/- 1.60   0.007% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.61 +/- 1.41   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  26.32 +/- 0.64   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.30 +/- 0.76   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.26 +/- 0.43   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  26.86 +/- 3.12   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.93 +/- 0.61   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  27.47 +/- 0.94   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.81 +/- 0.82   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 5.65, residual support = 47.0:
          HG    LEU   31 - HN    GLN   30   4.96 +/- 0.67  37.074% * 86.4544% (0.80   5.84  48.69) =  96.088%  kept
          QD2   LEU   73 - HN    GLN   30   6.16 +/- 0.68  10.158% * 12.7898% (0.92   0.75   4.71) =   3.895%  kept
          QG1   VAL   41 - HN    LYS+  99   4.69 +/- 0.71  48.726% *  0.0061% (0.02   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    GLN   30   7.61 +/- 0.63   2.745% *  0.0921% (0.25   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    LYS+  99  10.07 +/- 0.58   0.438% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  10.79 +/- 1.71   0.462% *  0.0194% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.00 +/- 1.41   0.365% *  0.0137% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  20.16 +/- 1.18   0.007% *  0.3686% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.79 +/- 1.69   0.003% *  0.2092% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.68 +/- 0.66   0.022% *  0.0242% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.44 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.53:
          QG2   THR   26 - HN    GLN   30   4.36 +/- 0.22  90.209% * 94.2903% (0.73   2.00   4.53) =  99.990%  kept
          HB3   LEU   40 - HN    LYS+  99   6.92 +/- 0.93   8.917% *  0.0619% (0.05   0.02  12.77) =   0.006%
          HB2   LYS+  74 - HN    GLN   30  12.74 +/- 0.67   0.146% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  13.85 +/- 0.83   0.103% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.15 +/- 1.80   0.354% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.90 +/- 1.65   0.009% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  13.85 +/- 0.97   0.097% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.40 +/- 0.72   0.052% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.85 +/- 2.08   0.004% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.02 +/- 0.92   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.06 +/- 1.07   0.008% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.99 +/- 1.37   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.20 +/- 0.85   0.018% *  0.0807% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  15.96 +/- 1.46   0.046% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  18.43 +/- 1.14   0.018% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  19.64 +/- 0.99   0.012% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.404, support = 6.29, residual support = 153.2:
      O   HB2   GLN   30 - HN    GLN   30   2.55 +/- 0.65  79.348% * 87.8125% (0.41  10.0   6.30 153.23) =  96.902%  kept
          HG3   GLN   30 - HN    GLN   30   3.58 +/- 0.44  20.207% * 11.0231% (0.18   1.0   5.89 153.23) =   3.098%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.52 +/- 0.45   0.418% *  0.0048% (0.02   1.0   0.02  39.57) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  14.38 +/- 1.30   0.006% *  0.0729% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.90 +/- 1.66   0.002% *  0.1124% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  21.02 +/- 1.02   0.000% *  0.2061% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.59 +/- 1.16   0.008% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.26 +/- 1.15   0.000% *  0.1382% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  23.82 +/- 3.10   0.000% *  0.1209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.19 +/- 0.38   0.002% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.74 +/- 1.03   0.000% *  0.0878% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  15.95 +/- 0.89   0.002% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.66 +/- 1.18   0.000% *  0.1551% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.09 +/- 2.40   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  26.21 +/- 0.70   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.49 +/- 0.58   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.35 +/- 1.11   0.003% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.97 +/- 1.14   0.000% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.08 +/- 0.76   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.11 +/- 1.91   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.09 +/- 0.60   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  29.32 +/- 2.87   0.000% *  0.0079% (0.04   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 = 0.918, support = 4.81, residual support = 19.4:
          HB3   GLU-  29 - HN    GLN   30   3.86 +/- 0.28  78.549% * 43.4358% (0.90   4.60  19.40) =  74.515%  kept
          HG3   GLU-  29 - HN    GLN   30   5.05 +/- 0.68  20.864% * 55.9252% (0.98   5.42  19.40) =  25.484%  kept
          QB    GLU-  36 - HN    GLN   30   9.69 +/- 0.32   0.308% *  0.1278% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLN   30  14.45 +/- 0.60   0.028% *  0.1278% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   30  16.33 +/- 2.68   0.022% *  0.1108% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.71 +/- 0.53   0.173% *  0.0084% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.70 +/- 0.71   0.041% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  24.84 +/- 1.50   0.001% *  0.2088% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.24 +/- 1.08   0.008% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.46 +/- 1.15   0.005% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  24.58 +/- 2.26   0.001% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  27.76 +/- 0.67   0.001% *  0.0137% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.05, residual support = 90.4:
      O   HB2   GLU-  29 - HN    GLU-  29   2.31 +/- 0.37  99.993% * 99.4303% (0.76  10.0   5.05  90.40) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.96 +/- 1.31   0.002% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.13 +/- 0.71   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.69 +/- 1.47   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.28 +/- 0.85   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  23.89 +/- 1.57   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  21.23 +/- 2.21   0.000% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.48 +/- 0.91   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 5.24, residual support = 90.4:
      O   HB3   GLU-  29 - HN    GLU-  29   3.31 +/- 0.39  47.235% * 68.2167% (0.65  10.0   4.76  90.40) =  66.611%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.33 +/- 0.39  51.234% * 31.5242% (0.97   1.0   6.20  90.40) =  33.388%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.96 +/- 0.46   1.489% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  11.17 +/- 0.47   0.032% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.65 +/- 0.50   0.003% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  15.80 +/- 2.58   0.006% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  24.41 +/- 1.60   0.000% *  0.0881% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.956, support = 2.96, residual support = 153.2:
      O   HG3   GLN   30 - HE21  GLN   30   4.12 +/- 0.09  40.906% * 85.8661% (0.99  10.0   2.74 153.23) =  81.429%  kept
          HB2   GLN   30 - HE21  GLN   30   3.86 +/- 0.42  58.711% * 13.6436% (0.80   1.0   3.93 153.23) =  18.570%  kept
          HB2   GLN   17 - HE21  GLN   30  11.06 +/- 0.71   0.121% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HE21  GLN   30  11.16 +/- 0.79   0.119% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  13.70 +/- 1.27   0.034% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  14.23 +/- 1.24   0.027% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.13 +/- 0.80   0.066% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.20 +/- 1.36   0.003% *  0.0694% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  19.48 +/- 0.98   0.004% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.20 +/- 1.26   0.006% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.37 +/- 1.90   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.83 +/- 1.06   0.001% *  0.0422% (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 = 0.266, support = 1.79, residual support = 13.9:
          QG2   ILE   19 - HE21  GLN   30   2.75 +/- 0.71  84.715% * 21.5366% (0.18   1.50  13.88) =  61.439%  kept
          QD1   ILE   19 - HE21  GLN   30   3.84 +/- 0.99  15.102% * 75.8116% (0.41   2.25  13.88) =  38.554%  kept
          QD1   LEU   98 - HE21  GLN   30  10.17 +/- 0.84   0.126% *  1.4705% (0.90   0.02   0.02) =   0.006%
          QD2   LEU  104 - HE21  GLN   30  13.53 +/- 1.08   0.027% *  0.9283% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE21  GLN   30  12.25 +/- 0.93   0.030% *  0.2530% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.241, support = 2.14, residual support = 13.9:
          QG2   ILE   19 - HE22  GLN   30   3.57 +/- 0.74  85.263% * 28.8759% (0.18   2.13  13.88) =  71.908%  kept
          QD1   ILE   19 - HE22  GLN   30   4.95 +/- 0.95  14.003% * 68.6258% (0.41   2.16  13.88) =  28.067%  kept
          QD1   LEU   98 - HE22  GLN   30   9.73 +/- 0.75   0.543% *  1.3854% (0.90   0.02   0.02) =   0.022%
          QD2   LEU  104 - HE22  GLN   30  13.57 +/- 0.97   0.104% *  0.8745% (0.57   0.02   0.02) =   0.003%
          QG2   THR   46 - HE22  GLN   30  12.41 +/- 0.99   0.087% *  0.2383% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.94, residual support = 45.3:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.03  99.997% * 99.9819% (0.97  10.0   5.94  45.35) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  21.21 +/- 1.58   0.003% *  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 = 4.15, residual support = 44.2:
          QG    GLN   32 - HN    GLN   32   3.23 +/- 0.77  99.929% * 98.8368% (0.99   4.15  44.17) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  12.76 +/- 1.25   0.052% *  0.1070% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  17.59 +/- 2.84   0.012% *  0.3848% (0.80   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.77 +/- 0.82   0.002% *  0.3301% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  19.23 +/- 1.01   0.004% *  0.1336% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  27.73 +/- 1.85   0.000% *  0.1336% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.85 +/- 0.80   0.000% *  0.0741% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.15, residual support = 44.2:
      O   QB    GLN   32 - HN    GLN   32   2.21 +/- 0.20  99.990% * 99.6924% (0.90  10.0   4.15  44.17) = 100.000%  kept
          HG3   GLU- 100 - HN    GLN   32  12.65 +/- 1.59   0.006% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLN   32  12.16 +/- 0.40   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.32 +/- 1.04   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  20.26 +/- 2.86   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 = 0.731, support = 2.93, residual support = 4.71:
          HB3   GLN   30 - HN    GLN   32   5.24 +/- 0.19  39.393% * 73.7287% (0.99   2.45   1.63) =  67.251%  kept
          QB    LYS+  33 - HN    GLN   32   4.88 +/- 0.29  60.335% * 23.4390% (0.20   3.91  11.03) =  32.746%  kept
          HB3   LYS+  38 - HN    GLN   32  12.54 +/- 0.38   0.215% *  0.5438% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  17.21 +/- 1.13   0.034% *  0.2068% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  24.72 +/- 1.67   0.004% *  0.6010% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  23.13 +/- 4.07   0.009% *  0.1872% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.24 +/- 1.03   0.003% *  0.4634% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  28.79 +/- 0.68   0.001% *  0.5438% (0.90   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  24.77 +/- 3.25   0.005% *  0.1350% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  27.69 +/- 1.85   0.002% *  0.1512% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.94, residual support = 45.3:
          HB2   LEU   31 - HN    GLN   32   2.86 +/- 0.15  99.934% * 97.3760% (0.98   5.94  45.35) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.37 +/- 0.70   0.029% *  0.2030% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.84 +/- 1.23   0.024% *  0.2165% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.43 +/- 1.19   0.006% *  0.2430% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  18.00 +/- 0.99   0.002% *  0.3002% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  21.31 +/- 4.78   0.001% *  0.3339% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.22 +/- 0.80   0.001% *  0.3230% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  20.93 +/- 2.69   0.001% *  0.1761% (0.53   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.20 +/- 1.69   0.000% *  0.2558% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.86 +/- 1.17   0.000% *  0.1629% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  23.30 +/- 3.11   0.001% *  0.0931% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.39 +/- 2.02   0.000% *  0.3166% (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 = 5.94, residual support = 45.3:
          HB3   LEU   31 - HN    GLN   32   3.79 +/- 0.17  99.659% * 98.9150% (0.98   5.94  45.35) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32  10.43 +/- 0.50   0.260% *  0.1925% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.83 +/- 0.38   0.072% *  0.1789% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.17 +/- 1.73   0.002% *  0.3281% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.34 +/- 0.61   0.006% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.23 +/- 1.88   0.002% *  0.0673% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  32.09 +/- 1.47   0.000% *  0.2335% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.28, residual support = 11.0:
          QG    GLN   32 - HN    LYS+  33   4.16 +/- 0.25  99.967% * 98.6183% (0.84   4.28  11.03) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  18.32 +/- 2.64   0.018% *  0.2906% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.89 +/- 0.67   0.005% *  0.5099% (0.92   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  20.07 +/- 0.77   0.009% *  0.2906% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  27.59 +/- 1.89   0.001% *  0.2906% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 11.0:
          QB    GLN   32 - HN    LYS+  33   2.82 +/- 0.09  99.957% * 98.4959% (1.00   4.28  11.03) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.70 +/- 1.47   0.028% *  0.3689% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.75 +/- 0.39   0.008% *  0.4566% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.16 +/- 1.22   0.002% *  0.4253% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  15.54 +/- 1.87   0.005% *  0.0711% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  28.10 +/- 0.78   0.000% *  0.0912% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.69 +/- 2.49   0.000% *  0.0912% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 148.3:
      O   QB    LYS+  33 - HN    LYS+  33   2.48 +/- 0.28  98.242% * 99.1015% (0.97  10.0   5.72 148.26) =  99.999%  kept
          HB3   GLN   30 - HN    LYS+  33   5.05 +/- 0.38   1.739% *  0.0385% (0.38   1.0   0.02   0.27) =   0.001%
          HB3   LYS+  38 - HN    LYS+  33  11.02 +/- 0.30   0.015% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.77 +/- 0.94   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.46 +/- 1.02   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.88 +/- 1.19   0.001% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.72 +/- 0.95   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  24.31 +/- 3.64   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.25 +/- 0.95   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  28.92 +/- 1.57   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.83 +/- 1.20   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  25.76 +/- 1.35   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.94 +/- 2.43   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.38 +/- 1.88   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  28.04 +/- 0.63   0.000% *  0.0139% (0.14   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 = 4.33, residual support = 148.3:
          HG2   LYS+  33 - HN    LYS+  33   3.16 +/- 0.60  99.997% * 98.5815% (0.61   4.33 148.26) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.42 +/- 1.48   0.002% *  0.7250% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  24.37 +/- 3.16   0.001% *  0.6935% (0.92   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 = 0.373, support = 5.36, residual support = 145.8:
          HG3   LYS+  33 - HN    LYS+  33   2.63 +/- 1.03  93.021% * 75.9108% (0.38   5.42 148.26) =  98.321%  kept
          HB2   LEU   31 - HN    LYS+  33   5.09 +/- 0.13   6.823% * 17.6676% (0.25   1.90   0.55) =   1.678%  kept
          HG    LEU   98 - HN    LYS+  33  12.20 +/- 1.10   0.043% *  0.6470% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  33  11.52 +/- 1.15   0.064% *  0.3924% (0.53   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  33  13.35 +/- 0.54   0.026% *  0.3344% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.37 +/- 1.75   0.008% *  0.4223% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  18.02 +/- 0.94   0.004% *  0.4524% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.97 +/- 1.29   0.002% *  0.5700% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.43 +/- 0.76   0.003% *  0.3631% (0.49   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  22.07 +/- 2.47   0.001% *  0.7056% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  23.34 +/- 1.86   0.001% *  0.5700% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  22.60 +/- 4.34   0.002% *  0.2799% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  24.26 +/- 1.11   0.001% *  0.7198% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  22.52 +/- 1.34   0.001% *  0.3344% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  31.56 +/- 0.87   0.000% *  0.4825% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.86 +/- 2.03   0.000% *  0.1476% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.552, residual support = 0.552:
          QD2   LEU   31 - HN    LYS+  33   5.03 +/- 0.17  99.905% * 90.2143% (0.65   0.55   0.55) =  99.995%  kept
          QG2   VAL   83 - HN    LYS+  33  18.60 +/- 3.05   0.059% *  5.0070% (0.99   0.02   0.02) =   0.003%
          QD1   ILE   89 - HN    LYS+  33  20.50 +/- 3.31   0.036% *  4.7787% (0.95   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.41 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 = 0.761, support = 2.0, residual support = 3.06:
          HA    LYS+  33 - HN    ASN   35   3.78 +/- 0.16  43.220% * 65.8511% (0.98   1.88   1.47) =  63.732%  kept
          HA    GLN   32 - HN    ASN   35   3.64 +/- 0.13  54.128% * 29.9116% (0.38   2.23   5.85) =  36.256%  kept
          HA    GLU-  29 - HN    ASN   35   8.33 +/- 0.30   0.375% *  0.7145% (1.00   0.02   0.02) =   0.006%
          HB2   SER   37 - HN    ASN   35   6.35 +/- 0.48   2.188% *  0.1105% (0.15   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ASN   35  10.94 +/- 0.76   0.079% *  0.5472% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.92 +/- 0.85   0.008% *  0.7097% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  26.98 +/- 5.16   0.001% *  0.6910% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.28 +/- 1.00   0.000% *  0.5472% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  28.60 +/- 1.00   0.000% *  0.4632% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  30.26 +/- 3.35   0.000% *  0.2944% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.55 +/- 1.70   0.000% *  0.1594% (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 = 52.2:
          HA    GLU-  36 - HN    ASN   35   4.96 +/- 0.06  97.251% * 98.5307% (0.97   3.97  52.21) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   9.03 +/- 0.31   2.729% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  25.39 +/- 2.68   0.007% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  28.54 +/- 3.49   0.003% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  29.49 +/- 1.06   0.002% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.34 +/- 0.89   0.007% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 4 structures by 0.88 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.9, residual support = 55.6:
      O   HB2   ASN   35 - HN    ASN   35   2.62 +/- 0.56  99.102% * 98.5351% (0.31  10.0   5.90  55.59) =  99.997%  kept
          QE    LYS+  33 - HN    ASN   35   6.56 +/- 0.69   0.851% *  0.3185% (1.00   1.0   0.02   1.47) =   0.003%
          HB2   ASN   28 - HN    ASN   35  10.94 +/- 0.34   0.033% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  12.80 +/- 1.29   0.013% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  22.14 +/- 1.30   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  26.24 +/- 4.21   0.000% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  27.70 +/- 1.43   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  23.72 +/- 1.36   0.000% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.33, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.94 +/- 0.04  96.957% * 98.0061% (0.92   3.33  18.78) =  99.993%  kept
          QG2   THR   39 - HN    ASN   35   5.98 +/- 1.20   2.630% *  0.1969% (0.31   0.02   0.02) =   0.005%
          HG3   LYS+  38 - HN    ASN   35   7.44 +/- 0.50   0.404% *  0.3611% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  14.90 +/- 0.90   0.006% *  0.6253% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.07 +/- 1.40   0.001% *  0.4875% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  20.37 +/- 0.96   0.001% *  0.1262% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.49 +/- 1.71   0.001% *  0.1969% (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 = 3.76, residual support = 105.3:
      O   HB2   ASN   28 - HD21  ASN   28   3.40 +/- 0.23  99.775% * 99.6076% (0.97  10.0   3.76 105.25) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   28  10.97 +/- 1.15   0.111% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  11.65 +/- 1.30   0.078% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   28  16.19 +/- 4.32   0.031% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  22.12 +/- 1.49   0.002% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  19.14 +/- 2.29   0.004% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 105.3:
      O   HB3   ASN   28 - HD21  ASN   28   3.15 +/- 0.26  99.381% * 99.7665% (0.90  10.0   3.60 105.25) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   7.60 +/- 0.50   0.615% *  0.1110% (1.00   1.0   0.02   8.89) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  21.04 +/- 2.68   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  21.25 +/- 1.63   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.85, residual support = 12.6:
          QG2   VAL   24 - HD21  ASN   28   2.69 +/- 0.22  99.992% * 96.9011% (0.76   1.85  12.57) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  14.29 +/- 1.35   0.005% *  0.3411% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  19.82 +/- 1.08   0.001% *  1.2267% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.38 +/- 1.08   0.002% *  0.2110% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  26.94 +/- 1.75   0.000% *  1.3200% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 52.8:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.02  99.991% * 99.7755% (1.00  10.0   5.68  52.82) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.14 +/- 1.38   0.005% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  20.73 +/- 0.72   0.003% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.61 +/- 1.39   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 5.16, residual support = 12.6:
          HA    VAL   24 - HN    ASN   28   3.85 +/- 0.19  99.961% * 99.4041% (0.92   5.16  12.57) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.19 +/- 0.55   0.028% *  0.1715% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.58 +/- 0.67   0.006% *  0.1715% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.05 +/- 0.90   0.004% *  0.2530% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 52.8:
          HB2   TRP   27 - HN    ASN   28   2.90 +/- 0.12  99.993% * 99.2749% (0.80   5.59  52.82) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  14.84 +/- 1.40   0.006% *  0.3702% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  20.75 +/- 0.70   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 = 6.8, residual support = 105.3:
      O   HB2   ASN   28 - HN    ASN   28   2.65 +/- 0.15  99.925% * 99.6076% (0.97  10.0   6.80 105.25) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.91 +/- 1.31   0.053% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  12.08 +/- 1.17   0.014% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  16.50 +/- 4.09   0.006% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  21.47 +/- 1.77   0.000% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  18.41 +/- 1.88   0.001% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.58, residual support = 105.2:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.01  95.329% * 99.7665% (0.90  10.0   6.58 105.25) =  99.995%  kept
          HG2   GLN   30 - HN    ASN   28   5.99 +/- 0.39   4.667% *  0.1110% (1.00   1.0   0.02   8.89) =   0.005%
          QE    LYS+ 121 - HN    ASN   28  21.95 +/- 2.71   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  21.80 +/- 1.51   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 = 0.517, support = 2.19, residual support = 19.5:
          HG3   GLU-  29 - HN    ASN   28   5.88 +/- 0.48  40.917% * 60.2377% (0.20   3.64  33.63) =  54.266%  kept
          HB2   GLU-  25 - HN    ASN   28   5.50 +/- 0.11  58.199% * 35.6813% (0.90   0.48   2.77) =  45.720%  kept
          HB2   MET   96 - HN    ASN   28  11.77 +/- 0.73   0.652% *  0.5158% (0.31   0.02   0.02) =   0.007%
          QG    GLN   17 - HN    ASN   28  16.28 +/- 1.13   0.094% *  1.3381% (0.80   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    ASN   28  16.66 +/- 0.78   0.077% *  1.2135% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ASN   28  17.32 +/- 0.71   0.061% *  1.0136% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.461, support = 3.35, residual support = 12.6:
          QG2   VAL   24 - HN    ASN   28   3.43 +/- 0.09  88.144% * 60.4031% (0.45   3.50  12.57) =  92.151%  kept
          QG1   VAL   24 - HN    ASN   28   4.89 +/- 0.38  11.849% * 38.2722% (0.61   1.64  12.57) =   7.849%  kept
          QG1   VAL  107 - HN    ASN   28  17.62 +/- 0.55   0.005% *  0.7116% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.02 +/- 1.17   0.002% *  0.2379% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.97 +/- 1.58   0.000% *  0.3752% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.158, support = 3.96, residual support = 3.94:
          QD1   LEU   73 - HN    ASN   28   4.85 +/- 0.22  89.031% * 81.4078% (0.15   4.02   4.00) =  98.587%  kept
          QD2   LEU   80 - HN    ASN   28  11.22 +/- 5.45   8.828% * 11.1940% (0.45   0.19   0.02) =   1.344%  kept
          QG1   VAL   83 - HN    ASN   28  11.80 +/- 3.18   1.708% *  2.6211% (1.00   0.02   0.02) =   0.061%
          QG2   ILE   89 - HN    ASN   28  14.00 +/- 2.31   0.254% *  1.4873% (0.57   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    ASN   28  16.34 +/- 1.09   0.067% *  1.8045% (0.69   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ASN   28  15.33 +/- 0.80   0.093% *  0.4053% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    ASN   28  20.07 +/- 1.08   0.020% *  1.0800% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.4, residual support = 26.8:
          HA    VAL   24 - HN    TRP   27   2.98 +/- 0.07  99.984% * 99.1283% (0.99   3.40  26.78) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.29 +/- 0.54   0.004% *  0.4271% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.55 +/- 2.02   0.007% *  0.0720% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  17.84 +/- 0.72   0.002% *  0.1030% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.33 +/- 0.91   0.001% *  0.1816% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.92 +/- 0.78   0.002% *  0.0127% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  29.41 +/- 1.86   0.000% *  0.0528% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  27.84 +/- 1.22   0.000% *  0.0224% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.51, residual support = 109.3:
      O   HB2   TRP   27 - HN    TRP   27   2.10 +/- 0.02  99.636% * 99.8160% (0.99  10.0   5.51 109.27) = 100.000%  kept
          HA    THR   77 - HN    ALA   91   6.95 +/- 1.25   0.304% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ALA   91   7.42 +/- 0.58   0.058% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  13.24 +/- 1.07   0.002% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  19.75 +/- 0.56   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.93 +/- 1.95   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 109.3:
      O   HB3   TRP   27 - HN    TRP   27   2.92 +/- 0.05  99.970% * 99.6559% (0.99  10.0   5.64 109.27) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  16.84 +/- 0.81   0.003% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  17.53 +/- 2.09   0.003% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  16.91 +/- 0.90   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.27 +/- 0.63   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.65 +/- 0.56   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  17.19 +/- 1.93   0.003% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.77 +/- 0.79   0.006% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.63 +/- 1.69   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  16.80 +/- 1.48   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  20.27 +/- 1.13   0.001% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  24.53 +/- 1.29   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  24.74 +/- 1.62   0.000% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  30.15 +/- 1.96   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   2.66 +/- 0.43  99.984% * 96.3520% (0.53   0.75   1.50) = 100.000%  kept
          HG2   MET   96 - HN    TRP   27  14.00 +/- 1.18   0.009% *  2.9641% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ALA   91  16.59 +/- 1.73   0.005% *  0.3662% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  18.19 +/- 1.85   0.003% *  0.3177% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.5, residual support = 22.7:
          QG2   THR   26 - HN    TRP   27   3.35 +/- 0.18  99.727% * 97.6156% (0.98   4.50  22.72) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27  10.05 +/- 0.48   0.151% *  0.3544% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.91 +/- 0.55   0.033% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.26 +/- 1.75   0.003% *  0.4416% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  15.63 +/- 0.96   0.011% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.14 +/- 1.21   0.015% *  0.0438% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.20 +/- 1.01   0.002% *  0.3382% (0.76   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  18.78 +/- 1.30   0.004% *  0.1230% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  23.93 +/- 2.02   0.001% *  0.4416% (1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.15 +/- 1.44   0.007% *  0.0536% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.93 +/- 0.90   0.022% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  15.59 +/- 2.19   0.019% *  0.0108% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  23.42 +/- 1.40   0.001% *  0.1230% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  24.34 +/- 1.66   0.001% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.31 +/- 1.20   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.97 +/- 1.29   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.68 +/- 1.23   0.001% *  0.0418% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  24.79 +/- 1.38   0.001% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  24.64 +/- 1.25   0.001% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.70 +/- 1.30   0.001% *  0.0108% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.995, support = 3.9, residual support = 33.5:
          QD1   LEU   73 - HN    TRP   27   4.23 +/- 0.49  81.982% * 91.1091% (1.00   3.93  33.80) =  98.953%  kept
          QD2   LEU   80 - HN    TRP   27   9.98 +/- 4.97  11.066% *  7.1096% (0.76   0.40   0.02) =   1.042%  kept
          QG2   VAL   41 - HN    TRP   27   7.35 +/- 0.70   3.177% *  0.0628% (0.14   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    TRP   27  11.04 +/- 2.83   1.332% *  0.0716% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  14.58 +/- 0.87   0.052% *  0.4633% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.09 +/- 1.49   0.451% *  0.0438% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91   9.52 +/- 1.71   1.667% *  0.0089% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.69 +/- 0.95   0.032% *  0.2816% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.81 +/- 1.10   0.022% *  0.2443% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  19.29 +/- 1.09   0.011% *  0.3718% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.44 +/- 1.81   0.067% *  0.0572% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  15.53 +/- 1.53   0.054% *  0.0459% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  15.05 +/- 0.70   0.043% *  0.0572% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  17.47 +/- 0.71   0.018% *  0.0348% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  17.60 +/- 1.64   0.020% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  21.74 +/- 1.27   0.005% *  0.0302% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 1.08:
          QG2   VAL   75 - HN    TRP   27   6.25 +/- 1.10  80.903% * 43.3149% (0.95   0.02   1.14) =  94.201%  kept
          QG2   VAL   42 - HN    TRP   27  11.32 +/- 0.91   2.812% * 45.6877% (1.00   0.02   0.02) =   3.454%  kept
          QG2   VAL   75 - HN    ALA   91   9.36 +/- 1.62  15.981% *  5.3521% (0.12   0.02   0.02) =   2.299%  kept
          QG2   VAL   42 - HN    ALA   91  16.43 +/- 1.33   0.304% *  5.6453% (0.12   0.02   0.02) =   0.046%
    Distance limit 4.48 A violated in 15 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.7, residual support = 109.3:
          HA    TRP   27 - HE1   TRP   27   5.45 +/- 0.20  99.771% * 98.3454% (1.00   2.70 109.27) =  99.999%  kept
          HA    VAL  107 - HE1   TRP   27  16.57 +/- 0.96   0.140% *  0.6094% (0.84   0.02   0.02) =   0.001%
          HA    ALA   91 - HE1   TRP   27  18.98 +/- 1.72   0.072% *  0.6901% (0.95   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  23.95 +/- 1.77   0.017% *  0.3551% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 1 structures by 0.61 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.47, residual support = 33.8:
          QD1   LEU   73 - HE1   TRP   27   3.59 +/- 0.57  99.245% * 96.0401% (0.87   2.47  33.80) =  99.995%  kept
          QD2   LEU   80 - HE1   TRP   27  13.61 +/- 5.89   0.243% *  0.8894% (0.99   0.02   0.02) =   0.002%
          QD1   LEU  104 - HE1   TRP   27  11.72 +/- 1.33   0.186% *  0.7784% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HE1   TRP   27  12.05 +/- 0.85   0.106% *  0.7784% (0.87   0.02   0.02) =   0.001%
          QG1   VAL   83 - HE1   TRP   27  13.79 +/- 3.97   0.096% *  0.3689% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  12.70 +/- 0.89   0.110% *  0.2495% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  16.91 +/- 1.12   0.014% *  0.8954% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.369, support = 1.88, residual support = 16.0:
          QD2   LEU   31 - HE1   TRP   27   2.18 +/- 0.53  93.223% * 43.0137% (0.31   1.99  16.66) =  91.215%  kept
          QG2   VAL   43 - HE1   TRP   27   4.95 +/- 1.50   6.777% * 56.9863% (0.99   0.82   9.32) =   8.785%  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 = 5.71, residual support = 29.6:
          HB2   GLU-  25 - HN    THR   26   2.62 +/- 0.10  99.353% * 98.9797% (0.90   5.71  29.63) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   6.32 +/- 0.68   0.638% *  0.0765% (0.20   0.02   1.12) =   0.000%
          QG    GLN   17 - HN    THR   26  15.53 +/- 1.14   0.003% *  0.3095% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.11 +/- 1.05   0.005% *  0.1193% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.17 +/- 0.87   0.001% *  0.2806% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.39 +/- 0.63   0.000% *  0.2344% (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 = 5.27, residual support = 29.6:
          HB3   GLU-  25 - HN    THR   26   3.24 +/- 0.14  98.076% * 95.5094% (0.57   5.27  29.63) =  99.992%  kept
          HG3   GLN   30 - HN    THR   26   7.79 +/- 0.92   0.710% *  0.5347% (0.84   0.02   4.53) =   0.004%
          HB2   GLN   30 - HN    THR   26   7.21 +/- 0.98   1.107% *  0.3368% (0.53   0.02   4.53) =   0.004%
          HB    ILE   19 - HN    THR   26  10.54 +/- 0.59   0.092% *  0.1267% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.51 +/- 0.42   0.006% *  0.4892% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  18.25 +/- 0.44   0.003% *  0.4892% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  19.92 +/- 1.22   0.002% *  0.3883% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  22.79 +/- 1.57   0.001% *  0.6387% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  20.97 +/- 1.03   0.001% *  0.1976% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  27.22 +/- 1.73   0.000% *  0.5347% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.03 +/- 0.91   0.000% *  0.3368% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  23.70 +/- 1.44   0.001% *  0.1596% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  23.18 +/- 0.92   0.001% *  0.0988% (0.15   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.18 +/- 1.04   0.000% *  0.1596% (0.25   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 = 36.0:
          QG2   THR   26 - HN    THR   26   3.56 +/- 0.07  99.857% * 98.0839% (0.95   4.46  35.99) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  10.86 +/- 0.51   0.131% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    THR   26  17.97 +/- 0.99   0.006% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  21.69 +/- 1.89   0.002% *  0.4172% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  22.86 +/- 1.06   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  26.18 +/- 2.07   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  25.00 +/- 1.66   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  24.75 +/- 0.76   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.63, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.81 +/- 0.15  49.153% * 11.0578% (0.69   0.02   0.02) =  56.005%  kept
          HB3   LEU   80 - HN    THR   26  12.71 +/- 3.54  24.615% *  8.4695% (0.53   0.02   0.02) =  21.481%  kept
          QG2   THR   77 - HN    THR   26  12.21 +/- 0.68  14.002% *  7.8357% (0.49   0.02   0.02) =  11.305%  kept
          QB    ALA   88 - HN    THR   26  17.19 +/- 2.91   3.542% * 13.9639% (0.87   0.02   0.02) =   5.096%  kept
          HB3   ASP-  44 - HN    THR   26  14.36 +/- 1.19   6.222% *  4.9686% (0.31   0.02   0.02) =   3.185%  kept
          HG2   LYS+  38 - HN    THR   26  20.20 +/- 0.47   0.658% * 16.0623% (1.00   0.02   0.02) =   1.089%  kept
          HG2   LYS+  99 - HN    THR   26  20.82 +/- 1.23   0.615% * 15.5357% (0.97   0.02   0.02) =   0.984%  kept
          HB2   LEU   63 - HN    THR   26  19.26 +/- 0.73   0.908% *  6.6181% (0.41   0.02   0.02) =   0.619%  kept
          HG2   LYS+ 111 - HN    THR   26  26.78 +/- 1.96   0.151% * 12.3026% (0.76   0.02   0.02) =   0.191%
          QB    ALA  124 - HN    THR   26  26.55 +/- 1.31   0.134% *  3.1858% (0.20   0.02   0.02) =   0.044%
    Distance limit 4.54 A violated in 20 structures by 4.14 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 31.7:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.02  99.992% * 99.8455% (0.92  10.0   5.49  31.68) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  19.62 +/- 0.65   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  19.95 +/- 0.89   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  23.72 +/- 1.05   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 6.03, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   3.05 +/- 0.29  99.404% * 99.5608% (0.61  10.0   6.03 127.36) = 100.000%  kept
          HG3   GLU-  29 - HN    GLU-  25   8.15 +/- 0.87   0.381% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   9.16 +/- 0.80   0.206% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.26 +/- 1.07   0.004% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  21.74 +/- 0.87   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  19.40 +/- 1.09   0.002% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.52 +/- 1.54   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.78, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.25 +/- 0.52  99.865% * 98.7761% (0.57  10.0   5.78 127.36) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25  10.13 +/- 0.82   0.053% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   8.99 +/- 0.93   0.068% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.40 +/- 0.67   0.012% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.33 +/- 0.46   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  20.17 +/- 0.49   0.000% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  20.61 +/- 1.39   0.000% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  24.48 +/- 1.58   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  19.47 +/- 1.12   0.000% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  26.12 +/- 1.87   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  25.93 +/- 1.06   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  22.78 +/- 1.65   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  24.69 +/- 1.03   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  24.76 +/- 1.07   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 = 3.17, residual support = 6.19:
          QG2   THR   23 - HN    GLU-  25   2.73 +/- 1.19  99.753% * 98.5738% (0.73   3.17   6.19) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  11.10 +/- 0.78   0.130% *  0.6219% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  11.81 +/- 0.35   0.072% *  0.3214% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.12 +/- 3.01   0.036% *  0.2922% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  16.88 +/- 1.28   0.009% *  0.1907% (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 = 4.26, residual support = 31.7:
          QG2   VAL   24 - HN    GLU-  25   3.68 +/- 0.33  99.988% * 99.1834% (0.97   4.26  31.68) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  21.29 +/- 1.61   0.003% *  0.4189% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  18.43 +/- 1.05   0.007% *  0.1812% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  27.16 +/- 2.09   0.001% *  0.2165% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.2, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.83 +/- 0.46  99.104% * 99.4232% (0.97   5.20 127.36) =  99.999%  kept
          HB3   TRP   87 - HN    GLU-  25  15.06 +/- 5.06   0.879% *  0.1223% (0.31   0.02   0.02) =   0.001%
          HB3   PHE   95 - HN    GLU-  25  17.07 +/- 1.04   0.016% *  0.1928% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  27.90 +/- 1.23   0.001% *  0.1629% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  29.21 +/- 1.29   0.001% *  0.0988% (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 = 4.3, residual support = 62.3:
      O   HA    VAL   24 - HN    VAL   24   2.75 +/- 0.03  99.998% * 99.8455% (0.92  10.0   4.30  62.34) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  17.89 +/- 1.00   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.77 +/- 0.92   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  22.56 +/- 1.32   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 = 4.33, residual support = 62.3:
      O   HB    VAL   24 - HN    VAL   24   2.39 +/- 0.13  99.623% * 99.7135% (0.95  10.0   4.33  62.34) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   8.56 +/- 2.98   0.373% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.93 +/- 0.56   0.004% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  20.60 +/- 1.67   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  23.26 +/- 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 = 5.44, residual support = 24.4:
          QG2   THR   23 - HN    VAL   24   3.27 +/- 0.74  99.251% * 99.1633% (0.73   5.44  24.38) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24   8.98 +/- 0.82   0.569% *  0.3649% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    VAL   24  11.98 +/- 0.52   0.079% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  13.83 +/- 2.84   0.076% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  14.70 +/- 1.29   0.025% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.884, support = 4.07, residual support = 62.3:
          QG1   VAL   24 - HN    VAL   24   2.14 +/- 0.28  93.982% * 77.1232% (0.90   4.05  62.34) =  98.212%  kept
          QG2   VAL   24 - HN    VAL   24   3.66 +/- 0.13   6.015% * 21.9366% (0.20   5.22  62.34) =   1.788%  kept
          HB3   LEU   31 - HN    VAL   24  12.54 +/- 0.34   0.003% *  0.0946% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  16.56 +/- 1.28   0.001% *  0.4212% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  26.12 +/- 2.12   0.000% *  0.3403% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  21.59 +/- 1.59   0.000% *  0.0841% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.881, support = 1.98, residual support = 3.62:
          QD2   LEU   80 - HN    VAL   24   6.93 +/- 5.73  54.471% * 43.3220% (0.76   2.01   4.58) =  50.017%  kept
          QD1   LEU   73 - HN    VAL   24   5.80 +/- 1.41  42.982% * 54.8602% (1.00   1.95   2.67) =  49.978%  kept
          QG1   VAL   83 - HN    VAL   24   8.14 +/- 2.96   1.379% *  0.0871% (0.15   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    VAL   24   9.65 +/- 1.13   1.032% *  0.0764% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   24  14.54 +/- 1.36   0.068% *  0.5631% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    VAL   24  16.14 +/- 1.44   0.034% *  0.3423% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  18.51 +/- 1.53   0.014% *  0.4519% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.07 +/- 1.59   0.020% *  0.2969% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 4 structures by 0.29 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 21.2:
          HB2   HIS   22 - HN    THR   23   4.48 +/- 0.03  99.966% * 99.6206% (0.99   5.14  21.18) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  18.88 +/- 0.76   0.019% *  0.3265% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.04 +/- 1.84   0.015% *  0.0529% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 21.2:
          HB3   HIS   22 - HN    THR   23   4.46 +/- 0.04  99.950% * 99.7231% (0.76   5.74  21.18) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  16.53 +/- 0.93   0.041% *  0.0900% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  21.47 +/- 1.57   0.009% *  0.1869% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.18, residual support = 4.64:
          HB3   CYS   21 - HN    THR   23   4.42 +/- 0.12 100.000% *100.0000% (1.00   2.18   4.64) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.73, support = 1.78, residual support = 11.7:
          QG2   THR   26 - HN    THR   23   4.51 +/- 0.13  91.525% * 81.2768% (0.73   1.80  11.87) =  98.353%  kept
          HB2   LYS+  74 - HN    THR   23   7.05 +/- 0.70   8.397% * 14.8260% (0.95   0.25   0.02) =   1.646%  kept
          HB3   LEU   40 - HN    THR   23  17.70 +/- 1.14   0.027% *  0.9026% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  18.61 +/- 1.96   0.023% *  0.8041% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  22.12 +/- 1.72   0.008% *  0.6050% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.12 +/- 0.83   0.005% *  0.6050% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  20.69 +/- 1.11   0.011% *  0.2767% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  24.74 +/- 2.00   0.004% *  0.7037% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.61, residual support = 18.8:
          QG2   THR   23 - HN    THR   23   3.18 +/- 0.62  99.650% * 97.6335% (0.41   4.61  18.76) =  99.997%  kept
          QG2   THR   77 - HN    THR   23   9.34 +/- 0.74   0.276% *  0.9940% (0.97   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    THR   23  15.93 +/- 2.51   0.022% *  0.6663% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.24 +/- 0.27   0.049% *  0.1589% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.99 +/- 0.63   0.001% *  0.3179% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.47 +/- 1.16   0.002% *  0.2293% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.413, support = 1.16, residual support = 0.681:
          QD1   LEU   73 - HN    THR   23   6.11 +/- 0.95  45.576% * 37.5030% (0.53   0.78   0.39) =  53.920%  kept
          QD2   LEU   80 - HN    THR   23   7.87 +/- 3.52  24.612% * 39.4281% (0.20   2.19   1.02) =  30.613%  kept
          QD1   LEU   80 - HN    THR   23   8.67 +/- 4.30  27.223% * 17.9061% (0.45   0.44   1.02) =  15.378%  kept
          QG2   VAL   41 - HN    THR   23  10.00 +/- 0.75   1.696% *  1.1752% (0.65   0.02   0.02) =   0.063%
          QD2   LEU   98 - HN    THR   23  12.04 +/- 1.24   0.564% *  0.8145% (0.45   0.02   0.02) =   0.014%
          QD1   LEU   63 - HN    THR   23  14.24 +/- 1.05   0.189% *  0.9558% (0.53   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    THR   23  15.72 +/- 1.07   0.099% *  1.8127% (1.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    THR   23  18.41 +/- 1.25   0.042% *  0.4045% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 9 structures by 0.83 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.5:
      O   HB3   HIS   22 - HN    HIS   22   3.28 +/- 0.36  99.999% * 99.9260% (0.98  10.0   3.46  34.49) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  23.53 +/- 1.63   0.001% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.46, residual support = 165.5:
          HG3   ARG+  54 - HN    ARG+  54   3.55 +/- 0.43  74.868% * 94.9677% (0.26   6.47 165.89) =  99.750%  kept
          QB    ALA   57 - HN    ARG+  54   4.48 +/- 0.35  21.370% *  0.8064% (0.72   0.02   0.02) =   0.242%
          QB    ALA   57 - HN    ASP-  62   6.05 +/- 0.19   3.379% *  0.1509% (0.14   0.02   0.02) =   0.007%
          HD3   LYS+ 111 - HN    ARG+  54  13.70 +/- 1.74   0.052% *  0.8449% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ARG+  54  12.40 +/- 0.81   0.049% *  0.4731% (0.42   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  11.88 +/- 1.37   0.090% *  0.1935% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.56 +/- 0.77   0.136% *  0.0885% (0.08   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.00 +/- 0.72   0.040% *  0.0549% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  16.66 +/- 1.91   0.011% *  0.1581% (0.14   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  21.82 +/- 1.19   0.002% *  1.0343% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.71 +/- 1.09   0.001% *  1.0343% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.82 +/- 1.26   0.003% *  0.1935% (0.17   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 = 3.36, residual support = 28.4:
      O   HB2   CYS   21 - HN    CYS   21   2.57 +/- 0.37  99.959% * 99.8975% (0.90  10.0   3.36  28.37) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.51 +/- 0.75   0.017% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.32 +/- 0.99   0.020% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.87 +/- 1.25   0.003% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.33 +/- 0.92   0.000% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.67 +/- 1.66   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.38, residual support = 28.4:
      O   HB3   CYS   21 - HN    CYS   21   3.46 +/- 0.39  99.937% * 99.8170% (0.53  10.0   3.38  28.37) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.81 +/- 0.97   0.020% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.17 +/- 0.92   0.041% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.40 +/- 0.72   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.305, support = 0.0194, residual support = 0.0906:
          HG    LEU  123 - HN    ILE  119   6.54 +/- 0.85  50.331% *  3.5886% (0.32   0.02   0.13) =  66.351%  kept
          HB3   ASP- 105 - HN    ILE  119   7.03 +/- 0.48  32.877% *  1.1101% (0.10   0.02   0.02) =  13.407%  kept
          HB    VAL   41 - HN    CYS   21  11.12 +/- 0.57   2.085% *  9.1141% (0.80   0.02   0.02) =   6.980%  kept
          QB    LYS+  66 - HN    ILE  119   9.26 +/- 1.53   8.215% *  2.1815% (0.19   0.02   0.02) =   6.583%  kept
          QB    LYS+  33 - HN    CYS   21  10.69 +/- 0.51   2.635% *  2.5341% (0.22   0.02   0.02) =   2.453%  kept
          QB    LYS+  66 - HN    CYS   21  15.88 +/- 0.64   0.250% *  6.9036% (0.61   0.02   0.02) =   0.635%  kept
          HG12  ILE  103 - HN    CYS   21  17.29 +/- 0.97   0.140% * 10.5070% (0.92   0.02   0.02) =   0.541%  kept
          HG12  ILE  103 - HN    ILE  119  15.12 +/- 0.88   0.330% *  3.3201% (0.29   0.02   0.02) =   0.403%
          HB3   PRO   52 - HN    ILE  119  15.62 +/- 1.44   0.283% *  3.5886% (0.32   0.02   0.02) =   0.373%
          HG2   PRO   93 - HN    ILE  119  13.45 +/- 1.06   0.738% *  1.2268% (0.11   0.02   0.02) =   0.332%
          HB3   PRO   52 - HN    CYS   21  20.13 +/- 1.58   0.063% * 11.3569% (1.00   0.02   0.02) =   0.261%
          HB    VAL   41 - HN    ILE  119  16.42 +/- 0.71   0.197% *  2.8799% (0.25   0.02   0.02) =   0.208%
          HG3   PRO   68 - HN    ILE  119  15.94 +/- 1.85   0.382% *  1.4786% (0.13   0.02   0.02) =   0.208%
          HG    LEU  123 - HN    CYS   21  22.23 +/- 1.91   0.043% * 11.3569% (1.00   0.02   0.02) =   0.180%
          HG3   PRO   68 - HN    CYS   21  18.37 +/- 0.94   0.104% *  4.6793% (0.41   0.02   0.02) =   0.178%
          HG2   PRO   93 - HN    CYS   21  17.87 +/- 0.82   0.124% *  3.8825% (0.34   0.02   0.02) =   0.176%
          HB    ILE  103 - HN    ILE  119  15.01 +/- 0.64   0.342% *  1.3499% (0.12   0.02   0.02) =   0.169%
          HG2   ARG+  54 - HN    CYS   21  19.16 +/- 1.44   0.086% *  3.8825% (0.34   0.02   0.02) =   0.122%
          HB    ILE  103 - HN    CYS   21  19.71 +/- 0.71   0.063% *  4.2718% (0.38   0.02   0.02) =   0.099%
          HB3   ASP- 105 - HN    CYS   21  19.75 +/- 0.77   0.062% *  3.5131% (0.31   0.02   0.02) =   0.081%
          QB    LYS+ 102 - HN    ILE  119  15.23 +/- 0.66   0.320% *  0.6299% (0.06   0.02   0.02) =   0.074%
          QB    LYS+ 102 - HN    CYS   21  18.74 +/- 0.87   0.088% *  1.9934% (0.18   0.02   0.02) =   0.065%
          HB3   GLN   90 - HN    CYS   21  19.36 +/- 1.29   0.075% *  1.9934% (0.18   0.02   0.02) =   0.055%
          HG2   ARG+  54 - HN    ILE  119  18.05 +/- 1.48   0.116% *  1.2268% (0.11   0.02   0.02) =   0.052%
          QB    LYS+  33 - HN    ILE  119  21.95 +/- 0.94   0.035% *  0.8007% (0.07   0.02   0.02) =   0.010%
          HB3   GLN   90 - HN    ILE  119  24.57 +/- 1.08   0.018% *  0.6299% (0.06   0.02   0.02) =   0.004%
    Distance limit 3.60 A violated in 20 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.625, support = 4.82, residual support = 99.3:
          QB    ALA   20 - HN    CYS   21   3.59 +/- 0.02  53.599% * 56.3659% (0.80   3.62  14.92) =  64.259%  kept
          HG13  ILE  119 - HN    ILE  119   3.80 +/- 0.29  40.030% * 41.9699% (0.31   6.98 251.10) =  35.735%  kept
          QG2   VAL  107 - HN    ILE  119   5.66 +/- 0.59   4.419% *  0.0273% (0.07   0.02   0.11) =   0.003%
          QG1   VAL   24 - HN    CYS   21   7.77 +/- 0.53   0.576% *  0.1199% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   6.82 +/- 0.38   1.217% *  0.0505% (0.13   0.02   2.88) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.86 +/- 0.62   0.027% *  0.3749% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.67 +/- 1.26   0.114% *  0.0505% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.78 +/- 1.38   0.003% *  0.3807% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.29 +/- 0.61   0.009% *  0.0865% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.28 +/- 0.46   0.002% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.35 +/- 1.49   0.001% *  0.1597% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.81 +/- 1.35   0.001% *  0.1185% (0.30   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  24.72 +/- 1.59   0.001% *  0.1597% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  19.57 +/- 1.47   0.002% *  0.0379% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.554, support = 2.1, residual support = 8.95:
          QD2   LEU   73 - HN    CYS   21   4.42 +/- 0.58  69.512% * 79.6911% (0.57   2.14   9.26) =  96.611%  kept
          QD1   ILE   19 - HN    CYS   21   5.96 +/- 0.43  13.996% * 12.9678% (0.22   0.89   0.12) =   3.165%  kept
          QG2   VAL   18 - HN    CYS   21   6.45 +/- 0.51   8.143% *  0.8501% (0.65   0.02   0.02) =   0.121%
          QG1   VAL   43 - HN    CYS   21   7.59 +/- 0.65   2.864% *  1.1399% (0.87   0.02   0.02) =   0.057%
          QG2   THR   46 - HN    CYS   21   8.81 +/- 0.98   1.653% *  0.6914% (0.53   0.02   0.02) =   0.020%
          QG1   VAL   41 - HN    CYS   21  10.49 +/- 0.46   0.445% *  1.2881% (0.98   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    CYS   21  10.85 +/- 0.95   0.440% *  0.9543% (0.73   0.02   0.02) =   0.007%
          QD1   ILE   56 - HN    ILE  119   8.13 +/- 0.85   2.438% *  0.1282% (0.10   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    ILE  119  13.10 +/- 0.51   0.115% *  0.3602% (0.27   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  14.41 +/- 0.60   0.063% *  0.4070% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  119  13.79 +/- 0.98   0.093% *  0.2686% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  119  14.15 +/- 1.89   0.103% *  0.2185% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    CYS   21  15.47 +/- 1.43   0.048% *  0.4056% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    ILE  119  14.65 +/- 0.68   0.063% *  0.2351% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  21.60 +/- 1.29   0.006% *  0.3015% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  17.93 +/- 1.19   0.018% *  0.0925% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.417, support = 4.51, residual support = 8.8:
          QD1   LEU   73 - HN    CYS   21   4.82 +/- 0.37  19.713% * 82.0276% (0.53   4.84   9.26) =  75.537%  kept
          QD2   LEU  115 - HN    ILE  119   4.06 +/- 0.35  52.315% *  8.7265% (0.07   3.85   8.42) =  21.326%  kept
          QD1   LEU   63 - HN    ILE  119   5.54 +/- 0.72   9.982% *  6.3323% (0.17   1.18   0.30) =   2.953%  kept
          QD2   LEU   63 - HN    ILE  119   5.34 +/- 0.95  14.342% *  0.2032% (0.32   0.02   0.30) =   0.136%
          QG2   VAL   41 - HN    CYS   21   7.99 +/- 0.46   0.940% *  0.4170% (0.65   0.02   0.02) =   0.018%
          QD1   LEU   80 - HN    CYS   21  11.17 +/- 4.03   1.301% *  0.2890% (0.45   0.02   0.02) =   0.018%
          QD2   LEU   80 - HN    CYS   21  10.14 +/- 3.24   1.021% *  0.1276% (0.20   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    CYS   21  10.79 +/- 0.92   0.160% *  0.2890% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    CYS   21  13.21 +/- 0.80   0.048% *  0.6432% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.05 +/- 0.78   0.083% *  0.3392% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  13.64 +/- 0.94   0.038% *  0.0913% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  14.86 +/- 0.57   0.022% *  0.1318% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.67 +/- 1.01   0.012% *  0.1435% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.63 +/- 0.45   0.016% *  0.1072% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  23.05 +/- 3.37   0.002% *  0.0913% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  22.13 +/- 3.07   0.003% *  0.0403% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.284, support = 5.68, residual support = 31.3:
          HN    THR  118 - HN    ILE  119   2.62 +/- 0.13  96.796% * 54.3289% (0.28   5.76  31.68) =  97.591%  kept
          HN    GLN  116 - HN    ILE  119   4.74 +/- 0.20   2.968% * 43.6877% (0.53   2.45  14.53) =   2.407%  kept
          HN    GLU- 114 - HN    ILE  119   7.78 +/- 0.44   0.168% *  0.6421% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.69 +/- 0.53   0.044% *  0.0919% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  11.09 +/- 0.48   0.017% *  0.2029% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  16.01 +/- 0.84   0.002% *  0.6421% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.88 +/- 0.53   0.003% *  0.0290% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.16 +/- 0.75   0.000% *  0.2029% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.61 +/- 0.72   0.000% *  0.1129% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.74 +/- 0.76   0.000% *  0.0596% (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 = 0.602, support = 2.47, residual support = 14.9:
          QE    PHE   59 - HN    ILE  119   4.20 +/- 0.45  74.258% * 25.4164% (0.22   3.00  16.34) =  51.072%  kept
          HN    HIS  122 - HN    ILE  119   5.13 +/- 0.18  24.859% * 72.7237% (1.00   1.92  13.36) =  48.919%  kept
          HN    PHE   59 - HN    ILE  119   9.29 +/- 0.62   0.725% *  0.4309% (0.57   0.02  16.34) =   0.008%
          HH2   TRP   87 - HN    CYS   21  19.96 +/- 6.07   0.063% *  0.2400% (0.32   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.04 +/- 1.57   0.074% *  0.0535% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.63 +/- 0.45   0.015% *  0.1362% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  20.84 +/- 0.95   0.006% *  0.2400% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  28.96 +/- 4.32   0.001% *  0.7594% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.9:
          HN    ALA   20 - HN    CYS   21   4.26 +/- 0.04  99.995% * 99.7794% (0.95   2.86  14.92) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.95 +/- 0.55   0.005% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 55.1:
        T HN    ALA  120 - HN    ILE  119   2.49 +/- 0.07  98.647% * 99.4047% (1.00 10.00   5.57  55.06) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   5.85 +/- 1.17   1.201% *  0.0796% (0.80  1.00   0.02  14.53) =   0.001%
          HN    ALA  124 - HN    ILE  119   7.66 +/- 0.39   0.124% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    ILE  119  12.83 +/- 0.70   0.006% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.56 +/- 1.97   0.020% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.75 +/- 0.74   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.68 +/- 0.49   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.44 +/- 1.43   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.19 +/- 1.88   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  21.29 +/- 1.99   0.000% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  27.28 +/- 1.49   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.87 +/- 1.56   0.000% *  0.0078% (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 = 31.7:
          HB    THR  118 - HN    ILE  119   3.39 +/- 0.35  99.911% * 98.0372% (0.98   5.27  31.68) = 100.000%  kept
          HB3   SER   37 - HN    CYS   21  14.59 +/- 0.67   0.019% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  14.53 +/- 0.90   0.019% *  0.0916% (0.24   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  15.67 +/- 1.71   0.018% *  0.0871% (0.23   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  17.66 +/- 2.65   0.010% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.60 +/- 1.14   0.003% *  0.2900% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  16.54 +/- 2.60   0.013% *  0.0493% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.47 +/- 1.19   0.001% *  0.3403% (0.90   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  23.60 +/- 1.79   0.001% *  0.3403% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.70 +/- 0.98   0.003% *  0.1175% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.11 +/- 1.22   0.001% *  0.2756% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  29.57 +/- 4.30   0.000% *  0.1560% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.43, residual support = 251.1:
          HG12  ILE  119 - HN    ILE  119   2.87 +/- 0.27  98.442% * 97.6060% (0.90   7.43 251.10) =  99.999%  kept
          HB3   PHE   72 - HN    CYS   21   7.47 +/- 0.49   0.387% *  0.0894% (0.30   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   6.69 +/- 0.70   0.844% *  0.0397% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.61 +/- 0.61   0.171% *  0.0831% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.50 +/- 0.43   0.089% *  0.0487% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.56 +/- 0.59   0.010% *  0.2629% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.39 +/- 1.57   0.024% *  0.0855% (0.29   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.60 +/- 0.88   0.007% *  0.2829% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  13.05 +/- 0.99   0.013% *  0.0742% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.58 +/- 1.13   0.002% *  0.2347% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  17.49 +/- 1.67   0.003% *  0.0918% (0.31   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  18.19 +/- 1.30   0.002% *  0.1205% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  22.77 +/- 1.21   0.000% *  0.2706% (0.92   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  22.85 +/- 1.16   0.000% *  0.2905% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.91 +/- 0.70   0.001% *  0.0831% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.10 +/- 1.01   0.001% *  0.0381% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  20.08 +/- 2.15   0.002% *  0.0316% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.30 +/- 0.86   0.000% *  0.1542% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.61 +/- 0.93   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.70 +/- 1.63   0.000% *  0.1000% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.56, residual support = 251.1:
      O   HB    ILE  119 - HN    ILE  119   2.17 +/- 0.08  99.784% * 99.0354% (0.92  10.0   7.56 251.10) = 100.000%  kept
          HB2   GLN   30 - HN    CYS   21   7.18 +/- 0.66   0.091% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    CYS   21   7.48 +/- 0.44   0.065% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.36 +/- 1.27   0.019% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.96 +/- 0.47   0.004% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.40 +/- 1.80   0.005% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.15 +/- 0.37   0.010% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.42 +/- 0.30   0.016% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.08 +/- 1.43   0.000% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.59 +/- 0.90   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.51 +/- 0.41   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.26 +/- 1.01   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.29 +/- 1.67   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.51 +/- 1.20   0.001% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.79 +/- 0.81   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.21 +/- 0.83   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.17 +/- 0.94   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.93 +/- 0.76   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.77 +/- 1.00   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.01 +/- 1.09   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.13 +/- 0.87   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.33 +/- 1.05   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.68 +/- 1.60   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  27.53 +/- 1.07   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.865, support = 6.38, residual support = 213.1:
          HG13  ILE  119 - HN    ILE  119   3.80 +/- 0.29  30.912% * 85.0025% (0.99   6.98 251.10) =  84.238%  kept
          QB    ALA   20 - HN    CYS   21   3.59 +/- 0.02  39.737% *  8.5387% (0.19   3.62  14.92) =  10.878%  kept
          QG1   VAL  107 - HN    ILE  119   3.92 +/- 0.48  27.891% *  5.4601% (0.20   2.24   0.11) =   4.882%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.82 +/- 0.38   0.921% *  0.0613% (0.25   0.02   2.88) =   0.002%
          QG1   VAL   24 - HN    CYS   21   7.77 +/- 0.53   0.419% *  0.0378% (0.15   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.67 +/- 1.26   0.088% *  0.1491% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.86 +/- 0.62   0.020% *  0.0775% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.28 +/- 0.46   0.002% *  0.1491% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  19.57 +/- 1.47   0.002% *  0.1197% (0.49   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.78 +/- 1.38   0.002% *  0.0770% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.81 +/- 1.35   0.001% *  0.2453% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.83 +/- 0.52   0.006% *  0.0154% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  24.72 +/- 1.59   0.000% *  0.0471% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.35 +/- 1.49   0.001% *  0.0194% (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 = 0.47, support = 0.0198, residual support = 2.88:
          HG3   LYS+  74 - HN    CYS   21   6.63 +/- 0.37  36.013% *  3.7747% (0.23   0.02   9.41) =  29.184%  kept
          HB    VAL   75 - HN    CYS   21   7.01 +/- 0.80  28.605% *  3.9726% (0.24   0.02   0.51) =  24.397%  kept
          QD1   LEU   67 - HN    ILE  119   9.81 +/- 2.12   6.319% * 15.1858% (0.92   0.02   0.02) =  20.603%  kept
          QD2   LEU   40 - HN    ILE  119  10.43 +/- 0.81   2.692% * 15.5616% (0.95   0.02   0.02) =   8.994%  kept
          QG2   ILE  103 - HN    ILE  119  10.63 +/- 0.56   2.151% * 13.7407% (0.84   0.02   0.02) =   6.346%  kept
          QD2   LEU   71 - HN    CYS   21   7.62 +/- 0.88  18.853% *  1.2962% (0.08   0.02   0.02) =   5.246%  kept
          QD1   LEU   67 - HN    CYS   21  11.63 +/- 2.05   3.032% *  4.7985% (0.29   0.02   0.02) =   3.123%  kept
          QD2   LEU   40 - HN    CYS   21  12.58 +/- 0.86   0.831% *  4.9173% (0.30   0.02   0.02) =   0.877%  kept
          QD1   ILE  103 - HN    ILE  119  12.96 +/- 0.90   0.714% *  2.8810% (0.18   0.02   0.02) =   0.442%
          HG3   LYS+  74 - HN    ILE  119  18.18 +/- 1.00   0.086% * 11.9456% (0.73   0.02   0.02) =   0.221%
          HB    VAL   75 - HN    ILE  119  18.99 +/- 1.28   0.073% * 12.5720% (0.76   0.02   0.02) =   0.198%
          QG2   ILE  103 - HN    CYS   21  16.09 +/- 0.50   0.172% *  4.3419% (0.26   0.02   0.02) =   0.161%
          QD2   LEU   71 - HN    ILE  119  16.23 +/- 0.82   0.174% *  4.1020% (0.25   0.02   0.02) =   0.153%
          QD1   ILE  103 - HN    CYS   21  14.92 +/- 0.72   0.284% *  0.9104% (0.06   0.02   0.02) =   0.055%
    Distance limit 3.53 A violated in 20 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.08, residual support = 31.7:
          QG2   THR  118 - HN    ILE  119   3.91 +/- 0.25  99.970% * 99.8962% (0.57   6.08  31.68) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.48 +/- 0.82   0.030% *  0.1038% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.792, support = 4.21, residual support = 52.8:
          QB    ALA  120 - HN    ILE  119   4.03 +/- 0.09  69.445% * 69.1038% (0.80   4.37  55.06) =  95.086%  kept
          HB3   LEU  115 - HN    ILE  119   6.05 +/- 0.69   7.636% * 11.3481% (0.95   0.61   8.42) =   1.717%  kept
          HG    LEU   73 - HN    CYS   21   5.73 +/- 1.00  15.090% *  5.7098% (0.15   1.88   9.26) =   1.707%  kept
          HG    LEU  115 - HN    ILE  119   6.16 +/- 0.53   6.541% * 11.4617% (0.80   0.73   8.42) =   1.485%  kept
          QG    LYS+  66 - HN    ILE  119   9.37 +/- 1.62   0.754% *  0.1218% (0.31   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  12.58 +/- 2.30   0.134% *  0.3912% (0.99   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE  119  12.68 +/- 0.91   0.078% *  0.3734% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.90 +/- 0.92   0.045% *  0.2235% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.87 +/- 1.05   0.075% *  0.0691% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  14.91 +/- 1.79   0.038% *  0.1236% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.89 +/- 1.04   0.030% *  0.1180% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  14.40 +/- 1.00   0.037% *  0.0706% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.06 +/- 1.95   0.011% *  0.2394% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.28 +/- 1.18   0.013% *  0.1921% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  14.26 +/- 1.47   0.044% *  0.0218% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.18 +/- 0.83   0.006% *  0.1180% (0.30   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  16.95 +/- 0.62   0.013% *  0.0385% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  20.32 +/- 1.46   0.005% *  0.0999% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.87 +/- 0.73   0.004% *  0.0999% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.35 +/- 0.94   0.003% *  0.0757% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 0.507, residual support = 0.506:
          QG2   VAL   75 - HN    CYS   21   5.42 +/- 0.62  91.545% * 94.2005% (1.00   0.51   0.51) =  99.790%  kept
          QG2   VAL   42 - HN    CYS   21   9.84 +/- 1.02   3.622% *  3.5164% (0.95   0.02   0.02) =   0.147%
          QG2   VAL   42 - HN    ILE  119   9.29 +/- 0.76   4.650% *  1.1111% (0.30   0.02   0.02) =   0.060%
          QG2   VAL   75 - HN    ILE  119  16.10 +/- 0.85   0.183% *  1.1720% (0.32   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 10 structures by 1.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    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   2.02 +/- 0.05  99.999% * 99.6430% (0.84  10.0   3.74  15.24) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.75 +/- 0.59   0.000% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  15.29 +/- 0.62   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.20 +/- 1.37   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.89 +/- 0.57   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.25 +/- 1.39   0.000% *  0.1190% (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 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.69, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   3.01 +/- 0.20  99.992% * 99.7551% (0.99   3.69  25.51) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.84 +/- 0.82   0.008% *  0.2449% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.94, residual support = 174.2:
      O   HB    ILE   19 - HN    ILE   19   2.32 +/- 0.22  99.611% * 99.4048% (0.97  10.0   5.94 174.22) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.12 +/- 0.30   0.337% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   9.04 +/- 0.53   0.033% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  12.60 +/- 0.79   0.005% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  11.77 +/- 1.66   0.011% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.77 +/- 0.33   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.26 +/- 1.15   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  17.74 +/- 0.54   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.40 +/- 0.79   0.000% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.26 +/- 1.77   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 6.23, residual support = 173.3:
          HG12  ILE   19 - HN    ILE   19   3.24 +/- 0.55  90.286% * 82.3609% (0.73   6.26 174.22) =  99.464%  kept
          HG    LEU   73 - HN    ILE   19   6.18 +/- 0.63   2.595% * 15.1906% (0.80   1.05   4.00) =   0.527%  kept
          HB3   LYS+  74 - HN    ILE   19   5.81 +/- 0.84   5.950% *  0.0635% (0.18   0.02   7.69) =   0.005%
          HB3   LEU   67 - HN    ILE   19   9.08 +/- 1.53   0.377% *  0.3624% (1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE   19   9.37 +/- 0.60   0.234% *  0.3498% (0.97   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   19   9.76 +/- 2.09   0.420% *  0.0807% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  12.37 +/- 0.64   0.040% *  0.3429% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.55 +/- 0.95   0.060% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  17.47 +/- 3.16   0.009% *  0.3027% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  16.83 +/- 1.55   0.007% *  0.2902% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  16.77 +/- 2.29   0.010% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.06 +/- 0.90   0.006% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  19.94 +/- 0.75   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.75 +/- 2.13   0.004% *  0.0717% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.94, residual support = 174.2:
          HG13  ILE   19 - HN    ILE   19   3.26 +/- 0.53  95.483% * 98.0081% (0.97   5.94 174.22) =  99.985%  kept
          HG    LEU   71 - HN    ILE   19   6.84 +/- 0.90   2.384% *  0.3353% (0.98   0.02   0.02) =   0.009%
          HG2   LYS+  74 - HN    ILE   19   7.22 +/- 1.01   1.395% *  0.3391% (0.99   0.02   7.69) =   0.005%
          QG2   THR   39 - HN    ILE   19   8.71 +/- 0.97   0.419% *  0.2350% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.48 +/- 0.60   0.237% *  0.0463% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.50 +/- 1.26   0.052% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  15.81 +/- 1.17   0.010% *  0.3413% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  15.90 +/- 0.88   0.010% *  0.2350% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  17.72 +/- 1.17   0.005% *  0.1406% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  21.04 +/- 3.04   0.003% *  0.1284% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.83 +/- 2.04   0.001% *  0.1056% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.89, residual support = 22.6:
          QG1   VAL   18 - HN    ILE   19   2.43 +/- 0.25  98.595% * 96.4195% (0.34   4.89  22.60) =  99.989%  kept
          QD1   LEU   71 - HN    ILE   19   6.19 +/- 1.09   1.258% *  0.7944% (0.69   0.02   0.02) =   0.011%
          QG1   VAL   70 - HN    ILE   19   8.03 +/- 1.18   0.142% *  0.5185% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.03 +/- 1.49   0.003% *  0.7944% (0.69   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  14.95 +/- 1.88   0.002% *  0.3570% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.64 +/- 0.66   0.001% *  1.1162% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.806, support = 4.93, residual support = 72.9:
          QG2   VAL   18 - HN    ILE   19   3.87 +/- 0.41  38.546% * 57.4663% (0.97   4.86  22.60) =  62.990%  kept
          QD1   ILE   19 - HN    ILE   19   4.03 +/- 0.71  31.455% * 37.5709% (0.57   5.41 174.22) =  33.607%  kept
          QD2   LEU   73 - HN    ILE   19   4.10 +/- 0.68  29.172% *  4.0953% (0.22   1.50   4.00) =   3.397%  kept
          QG1   VAL   43 - HN    ILE   19   8.25 +/- 0.50   0.410% *  0.2431% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE   19   9.37 +/- 0.53   0.202% *  0.2200% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE   19   9.56 +/- 0.77   0.159% *  0.2200% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  12.33 +/- 0.84   0.045% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.92 +/- 0.76   0.012% *  0.1008% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.705, support = 4.26, residual support = 24.6:
          HG12  ILE   19 - HN    ALA   20   4.82 +/- 0.85  59.383% * 81.3619% (0.73   4.42  25.51) =  95.151%  kept
          HB3   LYS+  74 - HN    ALA   20   5.46 +/- 0.56  34.571% *  5.7573% (0.18   1.30   8.17) =   3.920%  kept
          HG    LEU   73 - HN    ALA   20   8.33 +/- 1.08   4.902% *  9.5415% (0.80   0.47   0.02) =   0.921%  kept
          QB    ALA   61 - HN    ALA   20  11.29 +/- 0.64   0.396% *  0.4897% (0.97   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ALA   20  13.29 +/- 1.57   0.199% *  0.5075% (1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ALA   20  13.81 +/- 2.40   0.282% *  0.1130% (0.22   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   20  15.88 +/- 2.58   0.062% *  0.4239% (0.84   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  15.73 +/- 0.66   0.051% *  0.4800% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   20  15.32 +/- 1.76   0.060% *  0.1566% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.64 +/- 0.92   0.056% *  0.1566% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  18.84 +/- 1.65   0.017% *  0.4063% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.43 +/- 0.93   0.011% *  0.1566% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.31 +/- 0.82   0.005% *  0.3486% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.99 +/- 2.12   0.005% *  0.1004% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.489, support = 2.31, residual support = 8.63:
          HB3   LYS+  74 - HN    CYS   21   4.34 +/- 0.37  54.867% * 13.9527% (0.18   2.86   9.41) =  46.720%  kept
          HG    LEU   73 - HN    CYS   21   5.73 +/- 1.00  17.404% * 41.9661% (0.80   1.88   9.26) =  44.573%  kept
          HG12  ILE   19 - HN    CYS   21   6.97 +/- 0.24   3.064% * 36.1327% (0.73   1.79   0.12) =   6.757%  kept
          HD3   LYS+ 121 - HN    ILE  119   5.67 +/- 0.69  13.510% *  1.2604% (0.06   0.72   2.88) =   1.039%  kept
          HB3   LEU  115 - HN    ILE  119   6.05 +/- 0.69   8.725% *  1.6518% (0.10   0.61   8.42) =   0.879%  kept
          QG    LYS+  66 - HN    ILE  119   9.37 +/- 1.62   0.827% *  0.1666% (0.30   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    CYS   21  12.94 +/- 3.66   0.267% *  0.4655% (0.84   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    CYS   21  12.24 +/- 0.65   0.107% *  0.5378% (0.97   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    ILE  119  10.46 +/- 0.83   0.302% *  0.1410% (0.25   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    CYS   21  12.41 +/- 2.64   0.208% *  0.1720% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  14.26 +/- 1.47   0.052% *  0.5573% (1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE  119  11.30 +/- 0.47   0.170% *  0.1699% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  119  12.87 +/- 1.05   0.088% *  0.1761% (0.32   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  16.95 +/- 0.62   0.015% *  0.5271% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  17.29 +/- 1.53   0.014% *  0.4462% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.89 +/- 1.04   0.036% *  0.1720% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  12.58 +/- 2.30   0.149% *  0.0392% (0.07   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  14.91 +/- 1.79   0.046% *  0.1241% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.68 +/- 0.91   0.093% *  0.0543% (0.10   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.28 +/- 1.18   0.015% *  0.1410% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.35 +/- 0.94   0.004% *  0.3828% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.06 +/- 1.95   0.012% *  0.1210% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.18 +/- 0.83   0.007% *  0.1720% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.86 +/- 1.31   0.006% *  0.1279% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.93 +/- 2.17   0.003% *  0.1103% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  19.13 +/- 0.78   0.007% *  0.0308% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  27.19 +/- 4.31   0.001% *  0.1471% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  25.91 +/- 3.54   0.002% *  0.0543% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.05 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   2.79 +/- 0.58  99.977% * 99.5957% (0.48  10.0   3.17  84.57) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.98 +/- 1.18   0.016% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.73 +/- 2.05   0.002% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.67 +/- 2.58   0.003% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.44 +/- 2.22   0.001% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.04 +/- 1.62   0.002% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.08 +/- 2.27   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   4.42 +/- 0.03  99.370% * 99.9055% (0.73 10.00   5.47  50.07) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.33 +/- 0.44   0.630% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 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   4.42 +/- 0.03  99.841% * 99.7850% (0.89 10.00   5.47  50.07) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.15 +/- 0.87   0.155% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  24.41 +/- 2.32   0.004% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 7.69:
        T HN    LYS+  74 - HN    ILE   19   5.16 +/- 0.55  99.054% * 99.4791% (0.41 10.00   3.25   7.69) =  99.998%  kept
          HN    THR   46 - HN    ILE   19  11.72 +/- 0.66   0.844% *  0.2021% (0.84  1.00   0.02   0.02) =   0.002%
          HN    MET   92 - HN    ILE   19  18.70 +/- 1.54   0.055% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  20.69 +/- 1.60   0.032% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.08 +/- 0.60   0.015% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 6 structures by 0.63 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.08, residual support = 3.07:
          HN    THR   26 - HN    VAL   24   4.61 +/- 0.06  91.871% * 99.4729% (0.87   3.08   3.07) =  99.987%  kept
          HN    LEU   80 - HN    VAL   24   9.39 +/- 3.65   8.003% *  0.1472% (0.20   0.02   4.58) =   0.013%
          HN    ALA   34 - HN    VAL   24  14.42 +/- 0.33   0.101% *  0.1007% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  18.34 +/- 1.00   0.025% *  0.2792% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.54, residual support = 25.0:
          HN    THR   23 - HN    VAL   24   4.50 +/- 0.04  37.488% * 81.0980% (0.98   4.38  24.38) =  73.447%  kept
          HE3   TRP   27 - HN    VAL   24   4.28 +/- 1.07  61.954% * 17.7396% (0.76   1.23  26.78) =  26.551%  kept
          HD2   HIS   22 - HN    VAL   24   9.28 +/- 0.14   0.483% *  0.0841% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  13.39 +/- 1.23   0.056% *  0.3744% (0.99   0.02   0.02) =   0.001%
          HD1   TRP   49 - HN    VAL   24  17.54 +/- 1.40   0.012% *  0.1289% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  20.71 +/- 1.30   0.004% *  0.2595% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  21.44 +/- 0.91   0.003% *  0.3155% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27  17.12 +/- 4.89 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.03 A violated in 20 structures by 13.08 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.68 +/- 0.09  97.183% * 98.9220% (0.98 10.00   4.04  18.78) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.85 +/- 0.20   2.817% *  0.0531% (0.53  1.00   0.02   5.85) =   0.002%
        T HN    LEU   80 - HN    ASN   35  24.94 +/- 3.26   0.000% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  29.17 +/- 1.49   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  28.72 +/- 3.77   0.000% *  0.0200% (0.20  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 = 19.4:
        T HN    SER   37 - HN    GLU-  36   2.29 +/- 0.04  99.999% * 99.7690% (0.98 10.00   3.97  19.39) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.02 +/- 0.39   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.12 +/- 1.09   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  30.28 +/- 3.33   0.000% *  0.1009% (0.99  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 = 5.31, residual support = 27.8:
        T HN    LYS+  38 - HN    THR   39   2.74 +/- 0.27  99.943% * 99.8693% (1.00 10.00   5.31  27.84) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.07 +/- 0.50   0.056% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.08 +/- 0.53   0.001% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.61 +/- 0.74   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.74 +/- 0.21  99.855% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.28 +/- 0.32   0.145% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.85, residual support = 6.47:
          HN    LEU   73 - HN    ASP-  44   3.43 +/- 0.45  97.010% * 68.3405% (0.38   3.88   6.55) =  98.654%  kept
          HN    VAL   42 - HN    ASP-  44   6.36 +/- 0.16   2.942% * 30.7238% (0.38   1.75   0.02) =   1.345%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.77 +/- 0.37   0.047% *  0.9357% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.56, residual support = 33.5:
          HN    VAL   42 - HN    VAL   43   4.35 +/- 0.11  65.671% * 68.0470% (0.38   6.20  39.49) =  80.844%  kept
          HN    LEU   73 - HN    VAL   43   4.89 +/- 0.32  33.745% * 31.3694% (0.38   2.86   8.34) =  19.150%  kept
          HN    LYS+ 106 - HN    VAL   43   9.61 +/- 0.34   0.584% *  0.5836% (1.00   0.02   0.02) =   0.006%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.752, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.38 +/- 0.58  63.764% * 15.3753% (0.65   0.02   0.02) =  56.580%  kept
          HN    ILE   56 - HN    ASP-  44  12.90 +/- 0.56  18.011% * 18.1638% (0.76   0.02   0.02) =  18.880%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.50 +/- 1.59   9.866% * 23.7147% (1.00   0.02   0.02) =  13.504%  kept
          HN    ALA   84 - HN    ASP-  44  15.79 +/- 1.90   6.863% * 23.7147% (1.00   0.02   0.02) =   9.393%  kept
          HE21  GLN   32 - HN    ASP-  44  19.81 +/- 1.34   1.496% * 19.0315% (0.80   0.02   0.02) =   1.643%  kept
    Distance limit 4.21 A violated in 20 structures by 5.39 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 0.671, residual support = 1.79:
          QD    PHE   60 - HN    ASP-  44   5.82 +/- 0.54  78.069% * 43.6737% (0.41   0.75   2.10) =  84.945%  kept
          QE    PHE   59 - HN    ASP-  44   7.84 +/- 1.83  20.081% * 28.9021% (0.92   0.22   0.02) =  14.459%  kept
          HN    PHE   59 - HN    ASP-  44  12.26 +/- 0.57   0.900% * 24.4464% (0.57   0.30   0.02) =   0.548%  kept
          HN    LYS+  66 - HN    ASP-  44  12.90 +/- 0.66   0.706% *  2.5406% (0.90   0.02   0.02) =   0.045%
          HN    LYS+  81 - HN    ASP-  44  16.54 +/- 2.20   0.244% *  0.4371% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.51 A violated in 11 structures by 1.07 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.12 +/- 0.61  85.752% * 29.1578% (0.63   0.02   0.02) =  82.995%  kept
          HD21  ASN   69 - HN    ASP-  62  15.39 +/- 0.99  13.596% * 36.0114% (0.77   0.02   0.02) =  16.252%  kept
          HN    TRP   87 - HN    ASP-  62  25.64 +/- 1.56   0.651% * 34.8308% (0.75   0.02   0.02) =   0.753%  kept
    Distance limit 3.41 A violated in 20 structures by 7.42 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.85, residual support = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.52 +/- 0.07  99.949% * 98.0197% (0.32 10.00   5.85  42.46) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.11 +/- 0.23   0.046% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.98 +/- 1.95   0.004% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  24.01 +/- 0.94   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.73 +/- 0.86   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   7.67 +/- 0.57  98.320% * 48.0011% (0.92   0.02   0.02) =  98.183%  kept
          HN    ALA  110 - HN    LEU   73  15.76 +/- 1.73   1.680% * 51.9989% (1.00   0.02   0.02) =   1.817%  kept
    Distance limit 3.98 A violated in 20 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.362, support = 4.12, residual support = 23.0:
          HN    VAL   75 - HN    ASP-  76   4.23 +/- 0.12  81.801% * 48.6803% (0.28   4.64  27.64) =  81.173%  kept
          HN    ASP-  78 - HN    ASP-  76   5.48 +/- 0.36  18.192% * 50.7716% (0.73   1.85   3.05) =  18.827%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.01 +/- 1.47   0.006% *  0.3383% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.27 +/- 2.13   0.001% *  0.2098% (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 = 5.34, residual support = 28.0:
        T HN    LYS+ 111 - HN    LYS+ 112   4.22 +/- 0.28  97.546% * 99.6886% (0.87 10.00   5.34  27.98) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   8.13 +/- 0.94   2.354% *  0.0559% (0.49  1.00   0.02   8.56) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  13.77 +/- 1.08   0.095% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.62 +/- 2.91   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.24 +/- 1.52   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 = 0.354, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.74 +/- 1.04  85.971% * 11.5373% (0.28   0.02   0.02) =  76.198%  kept
          QD    PHE   60 - HN    GLN  116  11.33 +/- 0.87  10.304% * 26.8436% (0.65   0.02   0.02) =  21.249%  kept
          HN    LYS+  66 - HN    GLN  116  13.93 +/- 1.05   3.489% *  8.2119% (0.20   0.02   0.02) =   2.201%  kept
          HE3   TRP   27 - HN    GLN  116  21.95 +/- 0.86   0.186% * 14.1544% (0.34   0.02   0.02) =   0.203%
          HN    LYS+  81 - HN    GLN  116  27.73 +/- 2.02   0.050% * 39.2529% (0.95   0.02   0.02) =   0.150%
    Distance limit 4.29 A violated in 19 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.92, residual support = 52.9:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  79.948% * 85.9154% (0.80  10.0   6.00  55.06) =  96.128%  kept
          HA    THR  118 - HN    ALA  120   4.58 +/- 0.17  19.984% * 13.8441% (0.67   1.0   3.85   0.15) =   3.872%  kept
          HD3   PRO   58 - HN    ALA  120  12.46 +/- 0.73   0.051% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.45 +/- 0.91   0.014% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.65 +/- 0.65   0.001% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  26.10 +/- 1.01   0.001% *  0.0793% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  28.27 +/- 1.84   0.000% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.49:
          HA    SER  117 - HN    ALA  120   3.65 +/- 0.23  99.850% * 95.2241% (0.92   0.75   5.49) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.45 +/- 0.95   0.119% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  14.63 +/- 0.73   0.028% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  27.01 +/- 0.70   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.09 +/- 1.07   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.09, residual support = 124.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.30 +/- 0.41  99.995% * 99.8198% (0.69  10.0   4.09 124.16) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.19 +/- 1.01   0.005% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  27.66 +/- 3.55   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.83 +/- 2.56   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 = 0.607, support = 3.19, residual support = 78.0:
          HG    LEU  115 - HE21  GLN  116   6.22 +/- 1.45  25.626% * 24.1751% (0.41   3.54 102.33) =  39.508%  kept
          HB3   LEU  115 - HE21  GLN  116   7.62 +/- 1.61   8.464% * 67.9986% (0.95   4.32 102.33) =  36.704%  kept
          QB    ALA  120 - HE21  GLN  116   5.13 +/- 1.27  62.953% *  5.9176% (0.41   0.87   0.21) =  23.757%  kept
          QG    LYS+  66 - HE21  GLN  116   9.95 +/- 2.07   1.478% *  0.2285% (0.69   0.02   0.02) =   0.022%
          QB    ALA   61 - HE21  GLN  116  11.12 +/- 2.09   0.627% *  0.1135% (0.34   0.02   0.02) =   0.005%
          QB    ALA  110 - HE21  GLN  116  10.59 +/- 1.29   0.672% *  0.0583% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  15.48 +/- 2.23   0.055% *  0.2886% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  15.93 +/- 2.17   0.061% *  0.1619% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  17.43 +/- 1.93   0.029% *  0.3147% (0.95   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  21.13 +/- 1.84   0.008% *  0.2886% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.34 +/- 1.88   0.021% *  0.0741% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  23.41 +/- 2.03   0.005% *  0.3147% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  29.55 +/- 3.81   0.001% *  0.0658% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.327, support = 1.15, residual support = 0.758:
          HB    ILE  119 - HN    SER  117   4.58 +/- 0.47  51.846% * 49.8477% (0.20   1.56   1.11) =  67.664%  kept
          QB    GLU- 114 - HN    SER  117   4.72 +/- 0.21  42.364% * 28.7130% (0.61   0.29   0.02) =  31.847%  kept
          HB2   LYS+ 111 - HN    SER  117   6.75 +/- 0.86   5.755% *  3.2305% (1.00   0.02   0.02) =   0.487%
          HB3   PRO   68 - HN    SER  117  20.50 +/- 1.53   0.007% *  2.7044% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    SER  117  21.76 +/- 0.97   0.005% *  3.2305% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    SER  117  19.84 +/- 1.82   0.009% *  1.4516% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  22.66 +/- 0.95   0.004% *  3.2305% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.08 +/- 0.74   0.004% *  1.7034% (0.53   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  29.33 +/- 1.48   0.001% *  2.9888% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.16 +/- 1.02   0.003% *  0.8073% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.59 +/- 0.99   0.001% *  1.4516% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.90 +/- 0.81   0.002% *  0.6407% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.866, support = 2.37, residual support = 2.96:
          HG    LEU  115 - HN    SER  117   5.45 +/- 0.85  34.997% * 33.3418% (0.84   2.42   2.06) =  38.933%  kept
          HB3   LEU  115 - HN    SER  117   5.67 +/- 0.35  22.398% * 46.7921% (0.92   3.07   2.06) =  34.968%  kept
          QB    ALA  120 - HN    SER  117   5.12 +/- 0.51  42.142% * 18.5604% (0.84   1.35   5.49) =  26.097%  kept
          QG    LYS+  66 - HN    SER  117  12.03 +/- 1.49   0.270% *  0.0918% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  16.00 +/- 2.21   0.053% *  0.3235% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  15.92 +/- 0.97   0.047% *  0.3046% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.26 +/- 0.99   0.029% *  0.2002% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.27 +/- 1.98   0.013% *  0.1868% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.33 +/- 1.08   0.039% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  19.75 +/- 1.45   0.013% *  0.1480% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 2.86, residual support = 17.3:
          HB2   PHE   97 - HN    LEU  104   3.55 +/- 0.47  91.905% * 80.2793% (1.00   2.89  17.52) =  98.564%  kept
          QE    LYS+ 106 - HN    LEU  104   6.14 +/- 0.90   5.768% * 18.5476% (0.76   0.87   0.02) =   1.429%  kept
          QE    LYS+  99 - HN    LEU  104   7.05 +/- 0.67   2.249% *  0.2089% (0.38   0.02  17.08) =   0.006%
          HB3   TRP   27 - HN    LEU  104  15.39 +/- 0.98   0.017% *  0.5516% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.15 +/- 0.90   0.020% *  0.3151% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.51 +/- 1.14   0.041% *  0.0975% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.932, support = 5.42, residual support = 35.3:
          HG12  ILE  103 - HN    LEU  104   4.53 +/- 0.41  69.277% * 83.4769% (0.97   5.67  37.93) =  93.169%  kept
          QB    LYS+ 102 - HN    LEU  104   5.38 +/- 0.36  28.176% * 15.0232% (0.49   2.02   0.14) =   6.820%  kept
          HB    VAL   41 - HN    LEU  104   8.42 +/- 0.81   2.107% *  0.3050% (1.00   0.02   0.02) =   0.010%
          QB    LYS+  66 - HN    LEU  104  13.46 +/- 1.53   0.119% *  0.2886% (0.95   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU  104  14.32 +/- 1.37   0.094% *  0.2331% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  12.53 +/- 1.04   0.173% *  0.1041% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.87 +/- 0.44   0.019% *  0.2215% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  16.77 +/- 0.67   0.028% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.32 +/- 1.44   0.007% *  0.2331% (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 = 1.64, residual support = 26.9:
          QB    LEU   98 - HN    ILE  103   4.48 +/- 0.97  99.380% * 88.0674% (0.61   1.64  26.87) =  99.990%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.88 +/- 1.50   0.355% *  1.5867% (0.90   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ILE  103  17.87 +/- 1.19   0.045% *  1.4167% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  103  16.20 +/- 1.01   0.077% *  0.7273% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE  103  19.56 +/- 1.37   0.028% *  1.5347% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.83 +/- 0.65   0.018% *  1.5347% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.58 +/- 0.51   0.027% *  1.0016% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  25.73 +/- 6.38   0.019% *  1.3521% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  25.37 +/- 4.95   0.013% *  1.7342% (0.98   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.68 +/- 1.44   0.034% *  0.4412% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  26.32 +/- 1.39   0.005% *  0.6035% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 3 structures by 0.43 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 5.32, residual support = 35.7:
          QD2   LEU  104 - HN    ILE  103   4.22 +/- 0.73  46.976% * 80.9513% (1.00   5.62  37.93) =  80.274%  kept
          QD1   LEU   98 - HN    ILE  103   4.09 +/- 0.66  51.185% * 18.2543% (0.31   4.10  26.87) =  19.723%  kept
          QG1   VAL   41 - HN    ILE  103   7.50 +/- 0.72   1.412% *  0.0570% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    ILE  103   9.33 +/- 0.72   0.402% *  0.0983% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  16.74 +/- 0.64   0.011% *  0.2781% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.43 +/- 0.93   0.009% *  0.1631% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  18.20 +/- 0.98   0.006% *  0.1979% (0.69   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 = 6.85, residual support = 220.2:
          QD1   LEU  104 - HN    LEU  104   3.98 +/- 0.50  96.556% * 97.1121% (0.41   6.85 220.19) =  99.984%  kept
          QD1   LEU   63 - HN    LEU  104   9.04 +/- 0.43   0.853% *  0.6655% (0.97   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU  104   8.77 +/- 0.63   1.099% *  0.5007% (0.73   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU  104  10.93 +/- 0.68   0.279% *  0.6655% (0.97   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LEU  104   8.83 +/- 0.51   1.068% *  0.1365% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.40 +/- 0.66   0.131% *  0.4737% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  20.45 +/- 4.67   0.014% *  0.4461% (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 = 0.457, support = 4.86, residual support = 26.6:
          QD2   LEU  104 - HN    ASP- 105   4.29 +/- 0.36  74.062% * 37.5916% (0.18   6.52  39.54) =  63.411%  kept
          QD1   LEU   98 - HN    ASP- 105   5.35 +/- 0.79  25.895% * 62.0354% (0.95   1.99   4.15) =  36.588%  kept
          QG2   ILE   19 - HN    ASP- 105  15.19 +/- 0.60   0.043% *  0.3730% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.65 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   2.80 +/- 0.51  98.941% * 95.5374% (0.90   4.02 135.77) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.26 +/- 0.88   0.637% *  0.0927% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.13 +/- 0.58   0.174% *  0.2177% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.00 +/- 0.98   0.047% *  0.5284% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.91 +/- 1.15   0.113% *  0.1179% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.82 +/- 1.47   0.021% *  0.5248% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.35 +/- 0.46   0.009% *  0.5110% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.32 +/- 0.65   0.024% *  0.1806% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.45 +/- 1.12   0.006% *  0.5284% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  12.34 +/- 0.91   0.021% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.67 +/- 1.06   0.001% *  0.5284% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  22.34 +/- 0.85   0.001% *  0.5190% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  20.09 +/- 1.70   0.001% *  0.1634% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.77 +/- 0.44   0.002% *  0.1048% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  27.31 +/- 1.09   0.000% *  0.3637% (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   4.04 +/- 0.34  99.529% * 97.0483% (0.53   2.85  26.77) =  99.996%  kept
          HG    LEU   63 - HN    LYS+ 106  11.11 +/- 0.73   0.276% *  0.9404% (0.73   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    LYS+ 106  14.77 +/- 1.05   0.051% *  1.1234% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    LYS+ 106  14.22 +/- 0.70   0.060% *  0.3997% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  15.74 +/- 1.41   0.039% *  0.2883% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.36 +/- 1.25   0.044% *  0.1998% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.60 +/- 0.05  99.856% * 99.4338% (0.98   4.52  62.13) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.24 +/- 0.63   0.069% *  0.2183% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  12.82 +/- 1.10   0.054% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.33 +/- 1.85   0.021% *  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 = 2.97, residual support = 7.83:
          QG2   ILE   89 - HN    ALA   91   3.59 +/- 0.24  98.803% * 99.4064% (1.00   2.97   7.83) =  99.997%  kept
          QG1   VAL   83 - HN    ALA   91   9.52 +/- 1.71   0.767% *  0.3516% (0.53   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    TRP   27  11.04 +/- 2.83   0.347% *  0.0435% (0.07   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  13.10 +/- 2.36   0.069% *  0.0826% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  21.74 +/- 1.27   0.002% *  0.1031% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.81 +/- 1.10   0.011% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 5.29, residual support = 39.3:
          HG3   LYS+  99 - HN    GLU- 100   3.87 +/- 0.55  54.890% * 94.9727% (0.45   5.32  39.57) =  99.438%  kept
          QB    ALA   34 - HN    GLU- 100   4.63 +/- 0.73  25.285% *  0.5781% (0.73   0.02   0.02) =   0.279%
          QG2   THR   39 - HN    GLU- 100   4.98 +/- 0.63  15.703% *  0.7531% (0.95   0.02   0.02) =   0.226%
          HG3   LYS+  38 - HN    GLU- 100   6.90 +/- 1.27   3.661% *  0.7891% (0.99   0.02   0.02) =   0.055%
          HG    LEU   71 - HN    GLU- 100   9.07 +/- 1.03   0.409% *  0.2988% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  13.78 +/- 0.81   0.030% *  0.5150% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  17.69 +/- 0.92   0.006% *  0.7140% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  17.17 +/- 1.17   0.008% *  0.2988% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.87 +/- 1.50   0.002% *  0.7531% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.34 +/- 0.90   0.005% *  0.3273% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.75, residual support = 5.01:
          QB    ALA   84 - HN    LYS+  81   4.37 +/- 0.15  99.830% * 70.7750% (0.57   0.75   5.01) =  99.995%  kept
          HB3   LEU   73 - HN    LYS+  81  16.62 +/- 2.67   0.058% *  3.0773% (0.92   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  81  17.57 +/- 0.81   0.026% *  2.0219% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  17.03 +/- 1.53   0.036% *  0.7422% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  22.40 +/- 2.59   0.008% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  25.22 +/- 3.72   0.005% *  3.3336% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  23.69 +/- 3.73   0.008% *  1.4946% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  25.41 +/- 4.11   0.004% *  2.6693% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.67 +/- 2.17   0.002% *  3.2676% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  22.17 +/- 3.40   0.011% *  0.6597% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  26.42 +/- 1.89   0.002% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  31.94 +/- 3.85   0.001% *  3.1535% (0.95   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  26.78 +/- 2.26   0.002% *  1.3705% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  23.39 +/- 1.31   0.005% *  0.5144% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  30.83 +/- 1.79   0.001% *  1.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.77, residual support = 210.0:
          QD1   ILE   89 - HN    ILE   89   3.29 +/- 0.34  81.285% * 92.3587% (0.92   5.87 213.91) =  98.188%  kept
          QG2   VAL   83 - HN    ILE   89   4.93 +/- 1.27  18.709% *  7.4070% (1.00   0.44   0.02) =   1.812%  kept
          QD2   LEU   31 - HN    ILE   89  17.69 +/- 2.58   0.006% *  0.2343% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.379, support = 3.67, residual support = 8.8:
          QB    ALA   88 - HN    ILE   89   3.74 +/- 0.07  50.409% * 60.5109% (0.34   4.61   7.51) =  65.015%  kept
          QB    ALA   84 - HN    ILE   89   3.84 +/- 0.63  49.089% * 33.4288% (0.45   1.94  11.20) =  34.977%  kept
          HB3   LEU   80 - HN    ILE   89   8.72 +/- 1.36   0.465% *  0.7550% (0.98   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    ILE   89  14.22 +/- 1.15   0.019% *  0.3166% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ILE   89  16.22 +/- 1.78   0.009% *  0.6433% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  19.50 +/- 3.08   0.005% *  0.7550% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  23.18 +/- 3.45   0.001% *  0.7685% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  22.78 +/- 1.52   0.001% *  0.7110% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  22.00 +/- 2.42   0.001% *  0.4361% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  28.83 +/- 1.92   0.000% *  0.5291% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  29.83 +/- 2.24   0.000% *  0.6167% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  32.65 +/- 3.25   0.000% *  0.5291% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.761, support = 3.42, residual support = 33.4:
          QB    ALA   91 - HN    GLN   90   3.88 +/- 0.71  79.996% * 61.1030% (0.84   3.04  32.85) =  87.268%  kept
          HG12  ILE   89 - HN    GLN   90   5.13 +/- 0.21  19.791% * 36.0304% (0.25   6.01  37.07) =  12.731%  kept
          QG2   ILE   56 - HN    GLN   90  12.08 +/- 1.06   0.109% *  0.1804% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLN   90  14.92 +/- 1.24   0.029% *  0.4438% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  16.74 +/- 2.80   0.066% *  0.0951% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  23.45 +/- 1.61   0.002% *  0.4015% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  24.16 +/- 1.69   0.001% *  0.4807% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  25.54 +/- 2.42   0.001% *  0.4311% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  21.54 +/- 1.93   0.003% *  0.1070% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  28.96 +/- 2.07   0.001% *  0.4547% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  32.98 +/- 2.40   0.000% *  0.2722% (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 = 3.03, residual support = 95.2:
      O   QG    GLN   90 - HE21  GLN   90   2.21 +/- 0.10  99.982% * 98.4545% (0.34  10.0   3.03  95.16) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  10.63 +/- 1.96   0.016% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  14.25 +/- 1.33   0.002% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.80 +/- 1.48   0.000% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  26.66 +/- 2.58   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.44 +/- 1.47   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  26.53 +/- 0.94   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  23.62 +/- 1.51   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  29.71 +/- 2.21   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  34.84 +/- 1.65   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  30.12 +/- 1.64   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 = 5.56, residual support = 95.2:
      O   HB2   GLN   90 - HN    GLN   90   3.33 +/- 0.72  99.791% * 99.4917% (0.73  10.0   5.56  95.16) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  11.80 +/- 1.69   0.205% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  25.04 +/- 2.57   0.002% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  24.28 +/- 2.44   0.002% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  29.16 +/- 2.20   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  29.90 +/- 2.04   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  32.81 +/- 2.55   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 = 0.863, support = 5.51, residual support = 40.6:
          QD2   LEU   73 - HN    PHE   72   3.67 +/- 0.69  83.918% * 93.2800% (0.87   5.56  40.89) =  99.095%  kept
          QG2   VAL   18 - HN    PHE   72   5.47 +/- 0.71  12.841% *  5.5003% (0.34   0.83   5.97) =   0.894%  kept
          QG1   VAL   41 - HN    PHE   72   7.37 +/- 0.44   1.443% *  0.2958% (0.76   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    PHE   72   7.53 +/- 0.76   1.440% *  0.2191% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  11.21 +/- 0.56   0.163% *  0.3735% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  10.92 +/- 0.82   0.158% *  0.0965% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.15 +/- 1.14   0.038% *  0.2348% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.56, residual support = 38.8:
          QB    ALA   64 - HN    PHE   72   4.99 +/- 0.74  99.880% * 99.8634% (1.00   2.56  38.77) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  15.93 +/- 0.47   0.120% *  0.1366% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 6 structures by 0.58 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 7.69:
          HB    ILE   19 - HN    LYS+  74   5.61 +/- 0.51  92.879% * 95.9634% (0.71   2.61   7.69) =  99.961%  kept
          HB2   GLN   17 - HN    LYS+  74   9.79 +/- 0.50   3.668% *  0.4465% (0.43   0.02   0.02) =   0.018%
          HB3   GLU-  25 - HN    LYS+  74  10.88 +/- 0.72   2.349% *  0.5894% (0.57   0.02   0.02) =   0.016%
          QB    GLU-  15 - HN    LYS+  74  13.57 +/- 0.44   0.502% *  0.4465% (0.43   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    LYS+  74  17.29 +/- 0.65   0.117% *  0.7215% (0.69   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LYS+  74  18.53 +/- 1.25   0.082% *  0.7345% (0.71   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+  74  16.62 +/- 1.47   0.167% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.93 +/- 0.94   0.105% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  18.13 +/- 0.51   0.090% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.16 +/- 1.57   0.042% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 14 structures by 1.05 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.57, residual support = 43.5:
          QD1   LEU   73 - HN    LYS+  74   4.69 +/- 0.28  93.174% * 97.1951% (0.37   5.57  43.47) =  99.963%  kept
          QD2   LEU   80 - HN    LYS+  74   9.98 +/- 3.09   4.023% *  0.5950% (0.64   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    LYS+  74  10.13 +/- 0.71   1.096% *  0.3491% (0.37   0.02   0.02) =   0.004%
          QG1   VAL   83 - HN    LYS+  74  11.55 +/- 1.54   0.610% *  0.5071% (0.54   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LYS+  74  11.63 +/- 2.08   0.897% *  0.1162% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  14.60 +/- 1.04   0.120% *  0.5755% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  15.51 +/- 0.65   0.079% *  0.6620% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.56, residual support = 27.4:
          QG2   THR   77 - HN    ASP-  78   3.82 +/- 0.37  88.993% * 77.8457% (0.34   4.58  27.48) =  99.462%  kept
          HB3   LEU   80 - HN    ASP-  78   7.58 +/- 0.86   2.242% * 16.0362% (0.69   0.47   4.81) =   0.516%  kept
          QB    ALA   84 - HN    ASP-  78   5.94 +/- 0.82   8.426% *  0.1538% (0.15   0.02   0.02) =   0.019%
          QB    ALA   88 - HN    ASP-  78  10.94 +/- 0.76   0.198% *  0.7237% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ASP-  78  11.76 +/- 0.62   0.117% *  0.4468% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  78  20.02 +/- 2.20   0.006% *  0.8939% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  17.91 +/- 0.66   0.009% *  0.5643% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  21.90 +/- 1.83   0.003% *  0.8325% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  20.94 +/- 1.75   0.004% *  0.2219% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  27.82 +/- 0.87   0.001% *  0.9967% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  30.31 +/- 1.17   0.000% *  0.9769% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.52 +/- 1.02   0.001% *  0.3076% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   5.58 +/- 1.34  99.221% * 94.7883% (0.92   0.75   0.75) =  99.978%  kept
          QG1   VAL   42 - HN    ASP-  78  14.01 +/- 0.38   0.709% *  2.6840% (0.98   0.02   0.02) =   0.020%
          HG2   LYS+ 112 - HN    ASP-  78  20.54 +/- 2.64   0.070% *  2.5277% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 11 structures by 1.22 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 = 0.599, support = 4.28, residual support = 23.4:
          HB    THR   77 - HN    ASP-  78   3.92 +/- 0.19  77.636% * 37.2536% (0.45   4.58  27.48) =  68.292%  kept
          HA    GLU-  79 - HN    ASP-  78   4.87 +/- 0.17  22.007% * 61.0169% (0.92   3.64  14.49) =  31.706%  kept
          HA1   GLY   51 - HN    ASP-  78  12.58 +/- 1.31   0.087% *  0.3621% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.77 +/- 0.79   0.120% *  0.1627% (0.45   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  13.35 +/- 1.11   0.059% *  0.3255% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  78  12.21 +/- 0.49   0.088% *  0.1362% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  23.86 +/- 1.00   0.002% *  0.2055% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  26.88 +/- 0.61   0.001% *  0.3502% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.30 +/- 1.42   0.001% *  0.0636% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  32.47 +/- 2.19   0.000% *  0.1238% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 36.2:
      O   HA    ASP-  78 - HN    ASP-  78   2.82 +/- 0.03  99.399% * 99.8154% (1.00  10.0   4.57  36.17) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   6.90 +/- 0.23   0.476% *  0.0486% (0.49   1.0   0.02   4.81) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.96 +/- 1.32   0.072% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  10.33 +/- 1.11   0.052% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  24.06 +/- 0.98   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 7.86, residual support = 195.0:
      O   HA    ILE  119 - HN    ILE  119   2.87 +/- 0.02  72.856% * 50.7779% (1.00  10.0   8.75 251.10) =  74.421%  kept
      O   HA    THR  118 - HN    ILE  119   3.41 +/- 0.08  25.948% * 49.0042% (0.97  10.0   5.27  31.68) =  25.579%  kept
          HA    VAL   75 - HN    CYS   21   5.85 +/- 0.52   1.181% *  0.0028% (0.06   1.0   0.02   0.51) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.22 +/- 0.75   0.008% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  16.71 +/- 2.69   0.003% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.33 +/- 0.71   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  24.10 +/- 0.96   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.36 +/- 1.00   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.44 +/- 0.87   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  25.98 +/- 1.85   0.000% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.43 +/- 1.14   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.68 +/- 0.66   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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   3.13 +/- 0.20  92.518% * 83.7235% (0.72   5.50  31.90) =  99.001%  kept
          HD3   PRO   52 - HN    ARG+  54   5.10 +/- 0.10   5.250% * 14.7970% (0.26   2.67   1.76) =   0.993%  kept
          HD2   PRO   58 - HN    ARG+  54   6.56 +/- 0.28   1.126% *  0.3674% (0.87   0.02   0.02) =   0.005%
          HD2   PRO   58 - HN    ASP-  62   6.69 +/- 0.22   1.061% *  0.0687% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.84 +/- 1.02   0.036% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  19.64 +/- 1.77   0.002% *  0.3453% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.48 +/- 0.44   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.07 +/- 0.82   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  28.60 +/- 0.69   0.000% *  0.3325% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  26.64 +/- 0.96   0.000% *  0.1358% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  24.81 +/- 1.92   0.000% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  21.38 +/- 0.68   0.001% *  0.0254% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 0.696, residual support = 0.682:
          QG2   VAL   18 - HN    ALA   61   6.01 +/- 0.54  64.306% * 88.5537% (0.95   0.71   0.69) =  98.644%  kept
          QG2   THR   46 - HN    ALA   61   7.33 +/- 1.64  31.093% *  2.3013% (0.87   0.02   0.02) =   1.240%  kept
          QG1   VAL   43 - HN    ALA   61  11.89 +/- 0.35   1.125% *  2.6471% (1.00   0.02   0.02) =   0.052%
          QD1   ILE   19 - HN    ALA   61  12.76 +/- 1.09   1.153% *  1.3958% (0.53   0.02   0.02) =   0.028%
          QD2   LEU   73 - HN    ALA   61  11.02 +/- 0.72   1.801% *  0.6615% (0.25   0.02   0.02) =   0.021%
          QG1   VAL   41 - HN    ALA   61  14.81 +/- 0.40   0.303% *  2.4491% (0.92   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    ALA   61  16.31 +/- 0.93   0.171% *  0.9957% (0.38   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    ALA   61  20.26 +/- 1.03   0.046% *  0.9957% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 12 structures by 0.97 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 52.2:
          QB    GLU-  36 - HN    ASN   35   4.21 +/- 0.11  94.347% * 98.3848% (0.92   4.96  52.21) =  99.990%  kept
          HB2   LYS+  38 - HN    ASN   35   7.12 +/- 0.57   4.737% *  0.1195% (0.28   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    ASN   35   9.69 +/- 0.43   0.654% *  0.4258% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.41 +/- 0.63   0.257% *  0.3120% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  23.66 +/- 2.65   0.004% *  0.3727% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  30.85 +/- 1.60   0.001% *  0.3853% (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 = 43.1:
      O   QB    MET   11 - HN    MET   11   3.17 +/- 0.27  99.838% * 99.3665% (0.69  10.0   3.00  43.10) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.17 +/- 1.04   0.126% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.89 +/- 1.49   0.034% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  21.51 +/- 3.79   0.002% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  31.08 +/- 3.09   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  35.55 +/- 1.91   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  28.02 +/- 1.32   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  30.56 +/- 3.85   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  40.59 +/- 1.41   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.36 +/- 1.35   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.1:
          HG2   MET   11 - HN    MET   11   4.03 +/- 0.53  99.760% * 97.3782% (0.92   3.31  43.10) =  99.999%  kept
          HB2   GLU-  14 - HN    MET   11  11.91 +/- 1.02   0.206% *  0.6025% (0.95   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    MET   11  18.50 +/- 2.86   0.024% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  21.74 +/- 3.20   0.008% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  33.32 +/- 1.41   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.90 +/- 2.66   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  39.61 +/- 1.94   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  35.38 +/- 1.49   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.1:
          HG3   MET   11 - HN    MET   11   2.92 +/- 0.46  99.974% * 98.0255% (0.92   3.31  43.10) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  12.61 +/- 1.20   0.024% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  23.19 +/- 2.75   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  25.41 +/- 2.51   0.000% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  31.39 +/- 1.58   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  25.07 +/- 1.97   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  32.87 +/- 1.89   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.58 +/- 1.73   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.914, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  20.51 +/- 3.31  67.941% * 22.9200% (1.00   0.02   0.02) =  79.933%  kept
          HD3   LYS+  74 - HN    MET   11  26.36 +/- 1.31  16.102% * 12.0587% (0.53   0.02   0.02) =   9.967%  kept
          QG    LYS+  81 - HN    MET   11  33.73 +/- 2.46   3.579% * 19.1444% (0.84   0.02   0.02) =   3.517%  kept
          HG    LEU  104 - HN    MET   11  31.68 +/- 2.22   5.288% *  8.6021% (0.38   0.02   0.02) =   2.335%  kept
          HG2   LYS+ 106 - HN    MET   11  37.19 +/- 1.89   2.030% * 17.5161% (0.76   0.02   0.02) =   1.825%  kept
          HB3   LYS+ 121 - HN    MET   11  34.11 +/- 2.12   3.623% *  8.6021% (0.38   0.02   0.02) =   1.600%  kept
          HB3   LYS+ 111 - HN    MET   11  40.20 +/- 2.33   1.437% * 11.1564% (0.49   0.02   0.02) =   0.823%  kept
    Distance limit 4.30 A violated in 20 structures by 14.72 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   3.83 +/- 0.47  98.924% * 97.8480% (0.72   3.60  12.10) =  99.994%  kept
          HB2   GLU-  14 - HN    ALA   12   8.51 +/- 0.97   1.023% *  0.5425% (0.72   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    ALA   12  15.31 +/- 2.43   0.052% *  0.1512% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  30.29 +/- 0.99   0.001% *  0.5330% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  36.50 +/- 1.87   0.000% *  0.5330% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  32.07 +/- 1.64   0.000% *  0.2235% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  33.24 +/- 1.15   0.000% *  0.0952% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.56 +/- 1.78   0.000% *  0.0736% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 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   2.86 +/- 0.11  99.993% * 99.1918% (0.68  10.0   2.30  12.39) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  17.98 +/- 2.90   0.003% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  20.01 +/- 1.81   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  22.31 +/- 2.57   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.57 +/- 1.59   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.34 +/- 1.52   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  24.06 +/- 1.68   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.46 +/- 1.91   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  32.99 +/- 1.48   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  30.78 +/- 3.07   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  32.51 +/- 2.39   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.06 +/- 1.03   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.18 +/- 1.54   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 = 5.18:
          QB    ALA   12 - HN    SER   13   2.71 +/- 0.49  99.985% * 91.5358% (0.95   1.76   5.18) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  16.97 +/- 2.33   0.005% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.43 +/- 1.89   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  19.60 +/- 1.98   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  19.70 +/- 1.36   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.26 +/- 1.15   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  22.13 +/- 1.24   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.72 +/- 1.55   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  30.28 +/- 1.17   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  28.21 +/- 2.21   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  29.69 +/- 2.25   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  33.60 +/- 1.04   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.83 +/- 1.15   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 = 2.48, residual support = 6.72:
          QB    SER   13 - HN    GLU-  14   3.61 +/- 0.46  99.907% * 95.6002% (0.45   2.48   6.72) =  99.999%  kept
          HB3   SER   37 - HN    GLU-  14  13.99 +/- 1.71   0.042% *  0.9942% (0.58   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLU-  14  13.86 +/- 1.54   0.049% *  0.8176% (0.48   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  26.01 +/- 1.19   0.001% *  1.1877% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  31.51 +/- 3.04   0.000% *  0.9942% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  30.11 +/- 2.63   0.000% *  0.4060% (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 = 0.53, support = 3.89, residual support = 47.7:
          QG    GLU-  14 - HN    GLU-  14   2.98 +/- 0.54  94.287% * 71.5512% (0.53   3.93  48.69) =  98.000%  kept
          QG    GLU-  15 - HN    GLU-  14   5.39 +/- 0.65   5.303% * 25.9593% (0.42   1.80   0.73) =   2.000%  kept
          QB    MET   11 - HN    GLU-  14   8.24 +/- 0.60   0.387% *  0.0942% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  13.81 +/- 1.24   0.016% *  0.3977% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  17.76 +/- 2.14   0.004% *  0.3457% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  18.64 +/- 0.96   0.002% *  0.3457% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  23.84 +/- 1.36   0.001% *  0.4719% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  29.50 +/- 1.90   0.000% *  0.4270% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  26.02 +/- 1.29   0.000% *  0.1187% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.48 +/- 1.25   0.000% *  0.2888% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 3.76, residual support = 48.7:
      O   HB2   GLU-  14 - HN    GLU-  14   2.50 +/- 0.48  99.791% * 99.6047% (0.70  10.0   3.76  48.69) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.36 +/- 0.95   0.112% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  10.91 +/- 2.30   0.096% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.79 +/- 0.90   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.15 +/- 1.71   0.000% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.73 +/- 2.37   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  27.79 +/- 1.30   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.65 +/- 1.57   0.000% *  0.0135% (0.09   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 = 48.7:
      O   HB3   GLU-  14 - HN    GLU-  14   3.35 +/- 0.30  99.796% * 99.6986% (0.62  10.0   3.76  48.69) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.66 +/- 0.63   0.194% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.77 +/- 1.23   0.008% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  23.68 +/- 1.28   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  27.99 +/- 1.35   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   2.71 +/- 0.63  99.663% * 98.8146% (1.00   5.50  84.57) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.00 +/- 0.80   0.323% *  0.3527% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.95 +/- 0.74   0.003% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.96 +/- 0.23   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.66 +/- 1.69   0.004% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.23 +/- 0.95   0.003% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  17.97 +/- 1.09   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.07, residual support = 82.1:
      O   HB2   GLN   17 - HN    GLN   17   3.76 +/- 0.27  67.606% * 91.6375% (0.92  10.0   5.17  84.57) =  97.097%  kept
          QB    GLU-  15 - HN    GLN   17   4.51 +/- 0.23  23.495% *  7.8614% (0.92   1.0   1.72   0.02) =   2.895%  kept
          HB3   PRO   68 - HN    GLN   17   7.37 +/- 2.34   6.661% *  0.0562% (0.57   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HN    GLN   17   7.25 +/- 0.54   1.587% *  0.0795% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17   9.06 +/- 1.51   0.600% *  0.0721% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  13.01 +/- 0.72   0.044% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.49 +/- 0.32   0.003% *  0.0990% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.16 +/- 1.14   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.34 +/- 1.86   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.12 +/- 0.30  98.454% * 99.6298% (0.98  10.0   5.17  84.57) =  99.999%  kept
          QB    LYS+  65 - HN    GLN   17   7.22 +/- 0.90   1.021% *  0.0738% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    GLN   17   9.60 +/- 1.42   0.263% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.11 +/- 0.91   0.246% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.58 +/- 0.48   0.007% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.70 +/- 1.16   0.004% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.63 +/- 0.69   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.20 +/- 1.11   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.72 +/- 1.03   0.000% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 1.95, residual support = 6.19:
          QB    GLU-  15 - HN    GLY   16   2.71 +/- 0.37  81.707% * 39.2224% (0.98   1.94   6.04) =  98.380%  kept
          HB2   GLN   17 - HN    GLY   16   6.08 +/- 0.37   0.806% * 58.5879% (0.98   2.90  16.52) =   1.450%  kept
          HB3   PRO   68 - HN    GLY   16   5.35 +/- 2.29  16.627% *  0.3234% (0.78   0.02   0.02) =   0.165%
          HG2   PRO   68 - HN    GLY   16   7.03 +/- 1.71   0.723% *  0.1966% (0.47   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLY   16   8.56 +/- 0.57   0.121% *  0.2287% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  13.76 +/- 0.89   0.007% *  0.1660% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  14.38 +/- 1.00   0.005% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  22.08 +/- 0.38   0.000% *  0.3821% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.58 +/- 1.24   0.000% *  0.2613% (0.63   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.51 +/- 1.27   0.001% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.67 +/- 1.20   0.001% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.01 +/- 2.02   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   3.83 +/- 0.63  99.437% * 98.7514% (0.70   5.81  50.07) =  99.998%  kept
          HB    VAL   70 - HN    VAL   18   9.72 +/- 0.70   0.500% *  0.3028% (0.62   0.02   0.02) =   0.002%
          HB2   GLU-  25 - HN    VAL   18  17.99 +/- 0.30   0.012% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.25 +/- 0.79   0.032% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.00 +/- 1.59   0.009% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.78 +/- 1.14   0.010% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 77.5:
      O   HB    VAL   18 - HN    VAL   18   2.49 +/- 0.36  99.505% * 99.4605% (0.70  10.0   4.99  77.50) = 100.000%  kept
          HB2   LEU   67 - HN    VAL   18   8.71 +/- 1.33   0.138% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    VAL   18   6.70 +/- 0.28   0.341% *  0.0305% (0.21   1.0   0.02  22.60) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.97 +/- 0.67   0.003% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.35 +/- 1.05   0.010% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.74 +/- 1.07   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.28 +/- 1.01   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.39 +/- 1.11   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.84 +/- 0.08  96.873% * 93.7827% (0.33   5.47  50.07) =  99.970%  kept
          QB    LYS+  65 - HN    VAL   18   7.39 +/- 0.81   2.396% *  0.9011% (0.87   0.02   0.02) =   0.024%
          QB    LYS+  66 - HN    VAL   18   9.93 +/- 0.71   0.357% *  0.8392% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  10.53 +/- 0.94   0.283% *  0.8715% (0.84   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    VAL   18  14.10 +/- 0.75   0.043% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.70 +/- 1.23   0.011% *  0.9958% (0.96   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.76 +/- 1.68   0.019% *  0.2505% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.15 +/- 0.67   0.005% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.99 +/- 1.15   0.005% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  19.24 +/- 1.72   0.008% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.27, residual support = 77.5:
          QG2   VAL   18 - HN    VAL   18   2.23 +/- 0.56  99.376% * 98.2994% (0.91   5.27  77.50) =  99.999%  kept
          QD1   ILE   19 - HN    VAL   18   6.64 +/- 0.85   0.398% *  0.2074% (0.51   0.02  22.60) =   0.001%
          QG2   THR   46 - HN    VAL   18   9.25 +/- 0.89   0.058% *  0.3419% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   18   7.68 +/- 0.44   0.145% *  0.0983% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.16 +/- 0.50   0.014% *  0.3933% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  12.62 +/- 0.59   0.006% *  0.3639% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.79 +/- 0.92   0.001% *  0.1479% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.03 +/- 0.83   0.001% *  0.1479% (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 = 8.49:
          QB    ALA   64 - HN    VAL   18   3.38 +/- 0.48  99.966% * 99.8615% (0.84   2.25   8.49) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.37 +/- 0.89   0.034% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.435, support = 3.64, residual support = 19.1:
          HN    PHE   59 - HN    PHE   60   2.84 +/- 0.15  89.625% * 60.8232% (0.44   3.68  19.27) =  96.932%  kept
          QE    PHE   59 - HN    PHE   60   4.87 +/- 0.61   4.757% * 19.5755% (0.28   1.85  19.27) =   1.656%  kept
          QE    PHE   59 - HN    THR  118   4.74 +/- 0.49   4.941% * 16.0469% (0.16   2.68   5.13) =   1.410%  kept
          HN    HIS  122 - HN    THR  118   6.84 +/- 0.23   0.473% *  0.1581% (0.21   0.02   3.84) =   0.001%
          HN    PHE   59 - HN    THR  118  10.39 +/- 0.59   0.042% *  0.1868% (0.25   0.02   5.13) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.76 +/- 0.31   0.109% *  0.0612% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.98 +/- 0.51   0.016% *  0.2798% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  11.62 +/- 0.89   0.024% *  0.1311% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.39 +/- 1.09   0.002% *  0.4541% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.23 +/- 0.74   0.001% *  0.7083% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.33 +/- 1.06   0.001% *  0.5995% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.65 +/- 0.96   0.008% *  0.0346% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  25.52 +/- 2.90   0.000% *  0.2537% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  32.80 +/- 5.67   0.000% *  0.5437% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  27.91 +/- 4.63   0.000% *  0.1434% (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   2.73 +/- 0.12  99.976% * 94.4830% (0.47   4.73  40.67) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.32 +/- 0.77   0.004% *  0.8556% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.96 +/- 0.36   0.009% *  0.2257% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.07 +/- 0.69   0.003% *  0.3958% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  18.48 +/- 0.89   0.001% *  0.6539% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  15.67 +/- 1.08   0.003% *  0.1693% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  18.93 +/- 0.57   0.001% *  0.3052% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  20.55 +/- 1.31   0.001% *  0.2237% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  24.55 +/- 2.55   0.000% *  0.3464% (0.40   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.43 +/- 1.01   0.000% *  0.8481% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  20.38 +/- 2.25   0.001% *  0.0699% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  23.71 +/- 0.99   0.000% *  0.1725% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.72 +/- 0.72   0.001% *  0.0790% (0.09   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  33.57 +/- 4.87   0.000% *  0.7422% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  26.92 +/- 3.63   0.000% *  0.1957% (0.23   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.28 +/- 0.96   0.000% *  0.0447% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  23.93 +/- 3.46   0.000% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  29.67 +/- 3.60   0.000% *  0.1498% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 72.1:
      O   HB3   PHE   60 - HN    PHE   60   2.89 +/- 0.28  99.342% * 98.9222% (0.47  10.0   4.94  72.13) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.39 +/- 1.67   0.417% *  0.0529% (0.25   1.0   0.02   2.39) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.17 +/- 1.22   0.176% *  0.0294% (0.14   1.0   0.02   1.67) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.88 +/- 0.88   0.024% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.88 +/- 0.93   0.010% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.45 +/- 1.01   0.004% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.68 +/- 0.60   0.016% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.07 +/- 0.98   0.003% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.39 +/- 0.60   0.003% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.56 +/- 1.65   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.77 +/- 0.88   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  21.05 +/- 1.34   0.001% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.95 +/- 0.95   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.22 +/- 1.55   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.53 +/- 1.64   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 19.3:
          HB3   PHE   59 - HN    PHE   60   3.67 +/- 0.41  98.799% * 96.9722% (0.39   4.01  19.27) =  99.997%  kept
          HB3   PHE   59 - HN    THR  118   8.11 +/- 0.68   1.184% *  0.2732% (0.22   0.02   5.13) =   0.003%
          HB3   TRP   49 - HN    PHE   60  17.03 +/- 0.60   0.011% *  0.4635% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.23 +/- 0.76   0.004% *  1.0360% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  28.31 +/- 1.73   0.001% *  0.9932% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  24.57 +/- 0.86   0.001% *  0.2619% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.93, residual support = 5.45:
        T HN    SER  117 - HN    THR  118   2.73 +/- 0.20  99.970% * 97.7507% (0.17 10.00   2.93   5.45) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.16 +/- 0.43   0.023% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.36 +/- 0.67   0.006% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.30 +/- 0.84   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.65 +/- 1.42   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  28.72 +/- 3.28   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 4.12, residual support = 36.2:
          QG2   THR  118 - HN    THR  118   3.65 +/- 0.07  99.353% * 99.1277% (0.13   4.12  36.18) =  99.994%  kept
          QG2   THR  118 - HN    PHE   60   8.52 +/- 0.46   0.647% *  0.8723% (0.23   0.02   0.02) =   0.006%
    Distance limit 4.05 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 = 0.14, support = 4.34, residual support = 54.4:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  14.283% * 79.4125% (0.22  10.0   4.94  72.13) =  53.056%  kept
      O   HB    THR  118 - HN    THR  118   2.27 +/- 0.13  50.148% * 18.8480% (0.05  10.0   3.70  36.18) =  44.213%  kept
          QB    SER  117 - HN    THR  118   2.46 +/- 0.32  35.551% *  1.6426% (0.03   1.0   3.14   5.45) =   2.731%  kept
          HB    THR  118 - HN    PHE   60   9.61 +/- 0.58   0.010% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.57 +/- 0.62   0.006% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.37   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 = 3.73, residual support = 36.1:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.05  88.349% * 74.9938% (0.14  10.0   3.71  36.18) =  98.969%  kept
          HA    ILE  119 - HN    THR  118   5.06 +/- 0.14   2.860% * 24.0267% (0.17   1.0   5.46  31.68) =   1.027%  kept
          HD3   PRO   58 - HN    PHE   60   4.21 +/- 0.13   8.597% *  0.0311% (0.06   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    PHE   60   8.70 +/- 0.45   0.115% *  0.1594% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.94 +/- 0.42   0.017% *  0.1358% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.52 +/- 0.80   0.023% *  0.0440% (0.08   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.08 +/- 1.62   0.011% *  0.0797% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.74 +/- 0.56   0.007% *  0.0667% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.51 +/- 0.81   0.002% *  0.1484% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.93 +/- 0.64   0.017% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  20.15 +/- 1.17   0.001% *  0.1150% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.77 +/- 1.00   0.001% *  0.0368% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.77 +/- 1.08   0.000% *  0.0820% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  25.19 +/- 2.09   0.000% *  0.0635% (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   3.63 +/- 0.01  74.032% * 99.4803% (0.99  10.0   4.01  19.27) =  99.993%  kept
          HA    ILE   56 - HN    PHE   60   4.43 +/- 0.27  23.705% *  0.0154% (0.15   1.0   0.02   3.84) =   0.005%
          HA    ASP- 113 - HN    THR  118   7.06 +/- 0.66   1.654% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.88 +/- 0.67   0.392% *  0.0802% (0.80   1.0   0.02   5.13) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.48 +/- 0.67   0.048% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.55 +/- 0.60   0.133% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  15.57 +/- 1.06   0.013% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.30 +/- 0.75   0.005% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  17.53 +/- 0.48   0.006% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  23.69 +/- 1.98   0.001% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.76 +/- 0.96   0.004% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  26.65 +/- 2.90   0.001% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  20.15 +/- 1.33   0.003% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.97 +/- 0.92   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.75 +/- 1.22   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  21.67 +/- 0.81   0.002% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.39 +/- 1.29   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  33.42 +/- 3.56   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.56 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.89, support = 4.74, residual support = 64.7:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  31.967% * 94.1740% (0.96  10.0   4.94  72.13) =  88.902%  kept
          QB    SER  117 - HN    THR  118   2.46 +/- 0.32  67.873% *  5.5369% (0.36   1.0   3.14   5.45) =  11.098%  kept
          HA    LYS+ 121 - HN    THR  118   7.15 +/- 0.43   0.126% *  0.0138% (0.14   1.0   0.02   9.38) =   0.000%
          HA    PHE   60 - HN    THR  118  10.57 +/- 0.62   0.012% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.37   0.006% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.49 +/- 0.50   0.007% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.03 +/- 0.37   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.74 +/- 0.81   0.001% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.61 +/- 0.88   0.003% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.89 +/- 0.48   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.93 +/- 0.93   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.04 +/- 1.04   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.54 +/- 1.16   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.85 +/- 0.87   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.25 +/- 1.22   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 = 0.484, support = 3.09, residual support = 15.4:
          HG12  ILE  119 - HN    THR  118   4.51 +/- 0.41  12.386% * 63.5232% (0.72   4.43  31.68) =  38.035%  kept
          QG    GLU-  14 - HN    GLU-  15   3.67 +/- 0.46  39.571% * 17.2654% (0.36   2.37   0.73) =  33.029%  kept
          QG    GLU-  15 - HN    GLU-  15   3.59 +/- 0.62  43.496% * 13.7435% (0.32   2.17  10.74) =  28.899%  kept
          HG12  ILE  119 - HN    PHE   60   6.98 +/- 0.33   0.785% *  0.3561% (0.89   0.02   0.02) =   0.014%
          HB2   ASP-  44 - HN    PHE   60   7.10 +/- 0.60   0.763% *  0.3561% (0.89   0.02   2.10) =   0.013%
          HB2   ASP- 105 - HN    THR  118   5.75 +/- 0.87   2.678% *  0.0433% (0.11   0.02   5.60) =   0.006%
          HB3   PHE   72 - HN    PHE   60   9.42 +/- 0.75   0.153% *  0.3832% (0.96   0.02   8.93) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  11.51 +/- 1.03   0.041% *  0.1524% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.96 +/- 0.91   0.013% *  0.2870% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  11.07 +/- 0.51   0.045% *  0.0539% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  14.36 +/- 1.51   0.014% *  0.1633% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.48 +/- 0.91   0.007% *  0.3180% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.63 +/- 0.89   0.006% *  0.3089% (0.77   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.70 +/- 1.01   0.003% *  0.3936% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.79 +/- 0.68   0.020% *  0.0537% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  17.71 +/- 1.10   0.003% *  0.3666% (0.91   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.18 +/- 0.85   0.005% *  0.1416% (0.35   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.95 +/- 1.37   0.004% *  0.1316% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.25 +/- 1.07   0.001% *  0.2563% (0.64   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  22.02 +/- 1.25   0.001% *  0.3172% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.49 +/- 1.14   0.001% *  0.1416% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  18.97 +/- 1.25   0.002% *  0.0831% (0.21   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.27 +/- 1.19   0.000% *  0.2954% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.27 +/- 0.80   0.001% *  0.2089% (0.52   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.85 +/- 1.12   0.000% *  0.1355% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.59 +/- 0.99   0.000% *  0.1684% (0.42   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  27.88 +/- 1.53   0.000% *  0.1565% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.48 +/- 1.20   0.001% *  0.0214% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.35 +/- 1.52   0.000% *  0.1092% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.94 +/- 1.01   0.000% *  0.0649% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.0743, support = 1.98, residual support = 10.5:
      O   QB    GLU-  15 - HN    GLU-  15   3.00 +/- 0.28  87.021% * 49.2155% (0.06  10.0   2.01  10.74) =  97.475%  kept
          QB    GLU- 114 - HN    THR  118   4.78 +/- 0.68   7.532% * 10.2789% (0.48   1.0   0.52   0.02) =   1.762%  kept
          HG3   PRO   58 - HN    PHE   60   6.47 +/- 0.11   0.981% * 32.5736% (0.89   1.0   0.91   0.02) =   0.727%  kept
          HB2   LEU  115 - HN    THR  118   5.82 +/- 0.32   1.971% *  0.5607% (0.69   1.0   0.02   0.02) =   0.025%
          HB2   LEU  115 - HN    PHE   60   7.80 +/- 0.74   0.358% *  0.6957% (0.86   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    GLU-  15   6.09 +/- 0.41   1.516% *  0.0492% (0.06   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLU-  15  10.25 +/- 2.04   0.125% *  0.2438% (0.30   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.22 +/- 0.93   0.121% *  0.2000% (0.25   1.0   0.02   0.69) =   0.001%
          HB    ILE   19 - HN    GLU-  15   9.95 +/- 0.97   0.097% *  0.2191% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    PHE   60  10.77 +/- 1.03   0.053% *  0.3904% (0.48   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    PHE   60  11.12 +/- 0.88   0.041% *  0.4865% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.25 +/- 0.93   0.014% *  0.5797% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.93 +/- 1.15   0.047% *  0.1553% (0.19   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.29 +/- 0.62   0.068% *  0.0795% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.14 +/- 0.73   0.009% *  0.5509% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.11 +/- 1.12   0.011% *  0.3146% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  16.07 +/- 0.73   0.004% *  0.6129% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.98 +/- 0.85   0.015% *  0.1237% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  18.38 +/- 1.75   0.002% *  0.4940% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.57 +/- 0.66   0.005% *  0.1237% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.23 +/- 0.75   0.001% *  0.4440% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.61 +/- 1.37   0.003% *  0.1612% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.17 +/- 0.86   0.001% *  0.2861% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  22.39 +/- 0.81   0.001% *  0.2230% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  20.50 +/- 0.67   0.001% *  0.0997% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.29 +/- 1.15   0.000% *  0.2767% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.50 +/- 0.82   0.001% *  0.0997% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.00 +/- 1.25   0.000% *  0.1935% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  22.63 +/- 0.84   0.001% *  0.0887% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  27.40 +/- 1.54   0.000% *  0.1797% (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 = 3.84:
          QG1   ILE   56 - HN    PHE   60   3.92 +/- 0.76  93.147% * 44.9882% (0.09   2.17   3.84) =  99.835%  kept
          QD    LYS+ 106 - HN    THR  118   8.54 +/- 1.15   1.825% *  0.9892% (0.22   0.02   2.39) =   0.043%
          HG3   PRO   93 - HN    PHE   60   9.46 +/- 0.97   0.836% *  1.6016% (0.36   0.02   0.02) =   0.032%
          HB2   LEU  123 - HN    THR  118   8.92 +/- 0.39   0.990% *  0.9483% (0.21   0.02   0.02) =   0.022%
          HD2   LYS+ 111 - HN    THR  118   9.90 +/- 1.21   0.766% *  1.1608% (0.26   0.02   0.02) =   0.021%
          QG1   ILE   56 - HN    THR  118   8.24 +/- 0.62   1.517% *  0.2344% (0.05   0.02   0.02) =   0.008%
          HB3   MET   92 - HN    PHE   60  12.85 +/- 0.85   0.123% *  2.0957% (0.47   0.02   0.02) =   0.006%
          HB2   LEU  123 - HN    PHE   60  12.99 +/- 1.18   0.130% *  1.6781% (0.37   0.02   0.02) =   0.005%
          HB2   LEU   73 - HN    PHE   60  13.19 +/- 0.63   0.097% *  2.0225% (0.45   0.02   2.19) =   0.005%
          HB2   LEU   73 - HN    GLU-  15  15.51 +/- 0.99   0.045% *  4.3336% (0.97   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    PHE   60  13.43 +/- 0.75   0.091% *  1.7505% (0.39   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   60  14.03 +/- 1.83   0.072% *  2.0542% (0.46   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    THR  118  13.55 +/- 1.00   0.091% *  0.9483% (0.21   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    THR  118  13.55 +/- 1.84   0.073% *  0.9051% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  17.84 +/- 0.97   0.017% *  3.5957% (0.80   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    THR  118  15.03 +/- 1.13   0.039% *  1.1843% (0.26   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  16.70 +/- 0.53   0.023% *  1.6781% (0.37   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  20.86 +/- 2.15   0.010% *  3.5957% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  18.45 +/- 1.98   0.023% *  0.9997% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  16.21 +/- 1.42   0.034% *  0.6705% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    THR  118  18.49 +/- 1.17   0.012% *  1.1429% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.96 +/- 0.69   0.003% *  3.7508% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.80 +/- 1.03   0.007% *  1.1865% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  24.10 +/- 1.20   0.003% *  2.5423% (0.57   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.49 +/- 0.90   0.008% *  0.8887% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.28 +/- 1.21   0.002% *  3.4318% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  27.39 +/- 0.91   0.001% *  4.4905% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  21.85 +/- 1.72   0.006% *  0.4666% (0.10   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.70 +/- 1.85   0.001% *  4.4016% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  20.22 +/- 1.61   0.009% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.11 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.66, residual support = 40.5:
          QB    ALA   61 - HN    PHE   60   4.30 +/- 0.12  66.136% * 72.6352% (0.25   2.67  40.67) =  99.535%  kept
          HD3   LYS+ 121 - HN    THR  118   5.40 +/- 0.88  23.541% *  0.5391% (0.24   0.02   9.38) =   0.263%
          HG12  ILE   19 - HN    GLU-  15   8.10 +/- 1.11   2.428% *  1.8497% (0.84   0.02   0.02) =   0.093%
          QB    ALA   12 - HN    GLU-  15   7.59 +/- 0.61   2.501% *  0.8311% (0.38   0.02   0.02) =   0.043%
          QB    ALA  110 - HN    PHE   60   8.53 +/- 2.01   1.822% *  0.7898% (0.36   0.02   0.02) =   0.030%
          QB    ALA  110 - HN    THR  118   9.62 +/- 1.08   0.864% *  0.4463% (0.20   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    PHE   60   9.00 +/- 0.98   1.046% *  0.2301% (0.10   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    GLU-  15  11.71 +/- 0.80   0.185% *  1.1651% (0.53   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    GLU-  15  11.11 +/- 1.16   0.254% *  0.8311% (0.38   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    PHE   60  11.56 +/- 0.72   0.182% *  0.9269% (0.42   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    GLU-  15  13.97 +/- 0.94   0.061% *  1.9860% (0.90   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    GLU-  15  12.42 +/- 1.19   0.130% *  0.4930% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    PHE   60  11.97 +/- 1.11   0.158% *  0.3879% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.21 +/- 0.98   0.059% *  0.9540% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.51 +/- 1.65   0.272% *  0.1300% (0.06   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.81 +/- 0.78   0.041% *  0.8633% (0.39   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.59 +/- 0.30   0.105% *  0.3073% (0.14   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  13.61 +/- 0.87   0.070% *  0.3778% (0.17   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.12 +/- 0.66   0.035% *  0.6686% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  18.48 +/- 0.90   0.011% *  1.4325% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  19.06 +/- 2.04   0.011% *  1.0244% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.60 +/- 0.99   0.048% *  0.2192% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.69 +/- 1.81   0.003% *  1.6924% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  24.35 +/- 2.29   0.003% *  2.0442% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  20.63 +/- 2.46   0.007% *  0.7505% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  24.77 +/- 1.70   0.002% *  2.1949% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.77 +/- 0.77   0.007% *  0.5238% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  25.33 +/- 2.28   0.002% *  1.6080% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.08 +/- 1.27   0.005% *  0.4878% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.58 +/- 0.80   0.004% *  0.3879% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  25.62 +/- 3.86   0.002% *  0.5789% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  26.92 +/- 4.61   0.002% *  0.4241% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  27.24 +/- 0.88   0.001% *  0.2192% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.71, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.98 +/- 0.04  98.938% * 99.2769% (0.89  10.0   3.71  25.50) = 100.000%  kept
          QG2   THR   39 - HN    ALA   34   5.18 +/- 1.17   0.750% *  0.0308% (0.28   1.0   0.02   2.21) =   0.000%
          QG2   THR   23 - HN    LEU   80   7.74 +/- 2.18   0.102% *  0.0983% (0.89   1.0   0.02   1.02) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.94 +/- 0.90   0.183% *  0.0221% (0.20   1.0   0.02   0.64) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.08 +/- 0.38   0.011% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80   9.67 +/- 1.70   0.014% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.19 +/- 0.76   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.87 +/- 1.29   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  18.86 +/- 2.54   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.52 +/- 1.42   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  18.66 +/- 0.78   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  20.70 +/- 2.30   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.01 +/- 1.48   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  30.44 +/- 2.94   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.03  95.052% * 83.2208% (0.56  10.0   3.52  25.50) =  99.179%  kept
          HA    LYS+  81 - HN    LEU   80   4.69 +/- 0.24   4.250% * 15.3931% (0.47   1.0   4.44  39.66) =   0.820%  kept
          HA    GLU-  36 - HN    ALA   34   6.90 +/- 0.10   0.400% *  0.0604% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.85 +/- 0.22   0.185% *  0.1123% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.17 +/- 1.50   0.105% *  0.0552% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  17.19 +/- 3.63   0.003% *  0.1006% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  16.63 +/- 1.01   0.002% *  0.1291% (0.88   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.31 +/- 2.23   0.000% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.92 +/- 2.61   0.000% *  0.1357% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.10 +/- 0.82   0.000% *  0.1067% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  24.24 +/- 2.86   0.000% *  0.0745% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.31 +/- 0.96   0.000% *  0.1441% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  26.58 +/- 3.23   0.000% *  0.0773% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  24.96 +/- 3.11   0.000% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.01 +/- 2.44   0.000% *  0.0328% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.56 +/- 1.31   0.000% *  0.0367% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  29.48 +/- 3.14   0.000% *  0.0541% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.88 +/- 2.36   0.000% *  0.1215% (0.82   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 = 0.976, support = 6.92, residual support = 42.4:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  72.515% * 91.1019% (0.99  10.0   6.97  43.31) =  97.962%  kept
          HA    GLN   32 - HN    ALA   34   4.56 +/- 0.14  17.631% *  7.7650% (0.34   1.0   4.95   0.10) =   2.030%  kept
          HB2   SER   82 - HN    LEU   80   6.54 +/- 0.96   3.888% *  0.0779% (0.85   1.0   0.02   0.32) =   0.004%
          HA    GLU-  29 - HN    ALA   34   7.30 +/- 0.33   1.081% *  0.0911% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ALA   34   5.97 +/- 0.50   4.092% *  0.0161% (0.17   1.0   0.02   2.19) =   0.001%
          HA    SER   48 - HN    LEU   80   9.65 +/- 2.02   0.392% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34   9.58 +/- 0.63   0.219% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.68 +/- 0.70   0.113% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.51 +/- 0.84   0.028% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  17.39 +/- 1.53   0.007% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  14.40 +/- 1.45   0.022% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  19.75 +/- 3.18   0.004% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  25.19 +/- 4.79   0.001% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  25.12 +/- 2.98   0.001% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.95 +/- 1.98   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.03 +/- 0.90   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.55 +/- 2.08   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  24.12 +/- 3.56   0.001% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  26.30 +/- 0.95   0.000% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.65 +/- 3.15   0.000% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  26.81 +/- 2.64   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.54 +/- 1.68   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.753, support = 5.35, residual support = 41.5:
          HG3   LYS+  33 - HN    ALA   34   3.69 +/- 0.55  73.164% * 83.0763% (0.76   5.54  43.31) =  95.736%  kept
          QB    ALA   84 - HN    LEU   80   4.80 +/- 0.82  25.722% * 10.5163% (0.54   0.99   0.02) =   4.261%  kept
          HB3   LEU   73 - HN    ALA   34  10.85 +/- 1.12   0.139% *  0.3517% (0.89   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.34 +/- 1.10   0.195% *  0.1909% (0.49   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.80 +/- 0.84   0.505% *  0.0687% (0.17   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  11.53 +/- 0.60   0.081% *  0.3276% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  13.40 +/- 2.29   0.050% *  0.3150% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.42 +/- 1.58   0.027% *  0.3620% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  14.76 +/- 1.05   0.020% *  0.2272% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  13.62 +/- 1.60   0.034% *  0.0876% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  18.12 +/- 1.16   0.006% *  0.3913% (1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  16.50 +/- 1.93   0.013% *  0.1472% (0.37   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  19.10 +/- 2.39   0.005% *  0.2934% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  22.54 +/- 3.27   0.002% *  0.3505% (0.89   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.85 +/- 0.91   0.008% *  0.0978% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  21.13 +/- 1.21   0.002% *  0.3276% (0.83   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  20.87 +/- 3.10   0.004% *  0.1710% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  22.89 +/- 3.31   0.002% *  0.2685% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  22.18 +/- 2.40   0.002% *  0.2379% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.72 +/- 0.80   0.006% *  0.0687% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  24.18 +/- 2.32   0.001% *  0.3390% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  23.19 +/- 1.68   0.001% *  0.2934% (0.75   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.42 +/- 1.89   0.002% *  0.1472% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  23.04 +/- 1.12   0.001% *  0.2537% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  19.65 +/- 2.75   0.004% *  0.0615% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.04 +/- 1.51   0.003% *  0.0615% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  24.58 +/- 2.12   0.001% *  0.1318% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  29.31 +/- 3.03   0.000% *  0.3243% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.89 +/- 0.85   0.000% *  0.3785% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  28.19 +/- 1.87   0.000% *  0.1318% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.86, residual support = 42.9:
          QB    LYS+  33 - HN    ALA   34   2.86 +/- 0.21  93.812% * 48.6245% (0.72   5.92  43.31) =  97.615%  kept
          QB    LYS+  81 - HN    LEU   80   5.57 +/- 0.35   1.833% * 37.8318% (0.78   4.31  39.66) =   1.484%  kept
          HB3   GLN   30 - HN    ALA   34   5.00 +/- 0.56   4.106% * 10.2387% (0.69   1.32   1.15) =   0.900%  kept
          HB3   LYS+  38 - HN    ALA   34   9.04 +/- 0.29   0.105% *  0.1962% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  10.75 +/- 1.43   0.065% *  0.1622% (0.72   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.17 +/- 3.52   0.054% *  0.1066% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.23 +/- 0.87   0.003% *  0.2029% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.63 +/- 0.83   0.004% *  0.1190% (0.52   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  16.73 +/- 2.08   0.004% *  0.1147% (0.51   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  18.17 +/- 2.68   0.002% *  0.1817% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  18.04 +/- 2.97   0.003% *  0.1392% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  17.90 +/- 1.52   0.002% *  0.1955% (0.86   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.09 +/- 1.10   0.002% *  0.1101% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.57 +/- 0.94   0.001% *  0.1372% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  20.78 +/- 2.48   0.001% *  0.1471% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  24.71 +/- 3.48   0.000% *  0.1962% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.85 +/- 0.99   0.000% *  0.2183% (0.96   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  24.90 +/- 3.30   0.000% *  0.1066% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  25.03 +/- 2.75   0.000% *  0.1229% (0.54   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.87 +/- 1.18   0.000% *  0.1190% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.62 +/- 0.69   0.000% *  0.0691% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  28.60 +/- 1.49   0.000% *  0.1811% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  29.86 +/- 2.63   0.000% *  0.1757% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.88 +/- 1.14   0.000% *  0.1281% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.54 +/- 0.62   0.000% *  0.0772% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  28.45 +/- 1.45   0.000% *  0.0986% (0.44   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 = 0.509, support = 7.12, residual support = 81.3:
      O   HA    LEU   80 - HN    LEU   80   2.87 +/- 0.06  91.123% * 74.3796% (0.50  10.0   7.22  83.33) =  97.481%  kept
          HA    ASP-  78 - HN    LEU   80   4.36 +/- 0.15   7.482% * 23.2054% (0.94   1.0   3.29   4.81) =   2.497%  kept
          HA    THR   23 - HN    LEU   80   8.50 +/- 3.07   0.754% *  1.9899% (0.85   1.0   0.31   1.02) =   0.022%
          HB    THR   23 - HN    LEU   80   8.30 +/- 2.53   0.631% *  0.0531% (0.36   1.0   0.02   1.02) =   0.000%
          HA    THR   23 - HN    ALA   34  14.93 +/- 0.25   0.005% *  0.1048% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.31 +/- 0.15   0.003% *  0.0439% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  23.47 +/- 4.17   0.001% *  0.0615% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.82 +/- 0.76   0.001% *  0.0205% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  25.69 +/- 1.46   0.000% *  0.1166% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  25.03 +/- 2.90   0.000% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 5.44, residual support = 48.1:
      O   HA    GLU-  79 - HN    LEU   80   3.63 +/- 0.01  93.514% * 98.8868% (0.76  10.0   5.44  48.12) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.23 +/- 0.86   4.622% *  0.0381% (0.29   1.0   0.02   0.64) =   0.002%
          HA    THR   39 - HN    ALA   34   8.05 +/- 0.83   1.472% *  0.0886% (0.68   1.0   0.02   2.21) =   0.001%
          HA    SER   85 - HN    LEU   80   9.95 +/- 0.83   0.259% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  13.61 +/- 2.07   0.051% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  16.35 +/- 1.33   0.013% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.67 +/- 0.76   0.035% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.64 +/- 0.69   0.010% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.17 +/- 0.71   0.012% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  23.33 +/- 0.80   0.001% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  23.06 +/- 1.73   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  24.05 +/- 3.06   0.001% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  21.54 +/- 2.73   0.003% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  26.97 +/- 2.34   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  23.91 +/- 0.97   0.001% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  31.27 +/- 1.41   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.88 +/- 1.14   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  28.55 +/- 2.26   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  28.71 +/- 3.58   0.000% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  32.63 +/- 3.25   0.000% *  0.0275% (0.21   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 = 5.44, residual support = 47.7:
          HB3   GLU-  79 - HN    LEU   80   2.70 +/- 0.56  96.317% * 76.0769% (0.79   5.47  48.12) =  99.101%  kept
          QB    GLU-  36 - HN    ALA   34   5.39 +/- 0.21   3.074% * 21.5740% (0.70   1.75   0.02) =   0.897%  kept
          HB3   GLU-  29 - HN    ALA   34   8.21 +/- 0.55   0.248% *  0.2746% (0.78   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34  10.05 +/- 0.84   0.108% *  0.2103% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.41 +/- 0.36   0.205% *  0.0850% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  10.72 +/- 1.14   0.041% *  0.3073% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  18.38 +/- 3.01   0.003% *  0.2544% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  19.18 +/- 2.90   0.002% *  0.3322% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  21.41 +/- 2.55   0.001% *  0.2299% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  25.20 +/- 2.82   0.000% *  0.2985% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  29.01 +/- 1.39   0.000% *  0.2541% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  29.94 +/- 2.69   0.000% *  0.1027% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.68 +/- 0.09  99.994% * 98.7794% (0.80 10.00   4.04  18.78) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  24.94 +/- 3.26   0.000% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.76 +/- 0.70   0.004% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.96 +/- 2.42   0.001% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  20.63 +/- 2.88   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.30 +/- 2.30   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  30.86 +/- 2.98   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.68 +/- 0.85   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 = 4.84, residual support = 39.7:
          HN    LYS+  81 - HN    LEU   80   3.88 +/- 0.30  99.155% * 98.2505% (0.89   4.84  39.66) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80  12.51 +/- 4.05   0.512% *  0.0905% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   34  11.31 +/- 1.21   0.246% *  0.1010% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.10 +/- 0.76   0.045% *  0.3255% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.32 +/- 0.75   0.020% *  0.3634% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.71 +/- 0.68   0.009% *  0.1401% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  25.45 +/- 3.94   0.002% *  0.4528% (1.00   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.22 +/- 1.09   0.008% *  0.0712% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.87 +/- 1.15   0.002% *  0.1255% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.70 +/- 0.91   0.001% *  0.0795% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.687, support = 1.46, residual support = 1.49:
          HA    GLN   30 - HN    ALA   34   4.51 +/- 0.34  48.286% * 37.9772% (0.80   1.49   1.15) =  63.511%  kept
          HB3   SER   37 - HN    ALA   34   4.67 +/- 0.33  39.566% * 21.4011% (0.45   1.50   2.19) =  29.326%  kept
          HB    THR   39 - HN    ALA   34   6.69 +/- 0.70   5.811% * 25.1664% (0.61   1.30   2.21) =   5.065%  kept
          HB3   SER   82 - HN    LEU   80   6.86 +/- 0.90   5.585% * 10.8029% (0.82   0.41   0.32) =   2.090%  kept
          HA    ILE   89 - HN    LEU   80   9.76 +/- 0.96   0.561% *  0.2556% (0.40   0.02   0.02) =   0.005%
          HD3   PRO   52 - HN    LEU   80  15.63 +/- 1.68   0.038% *  0.4945% (0.78   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ALA   34  15.70 +/- 2.34   0.044% *  0.4117% (0.65   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  13.38 +/- 0.75   0.077% *  0.2140% (0.34   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  19.72 +/- 3.04   0.011% *  0.4565% (0.72   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  24.77 +/- 4.51   0.003% *  0.5875% (0.92   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  25.60 +/- 2.35   0.002% *  0.3688% (0.58   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  25.83 +/- 2.62   0.002% *  0.3458% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  25.92 +/- 3.00   0.002% *  0.2853% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.40 +/- 1.08   0.004% *  0.0982% (0.15   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  26.00 +/- 2.61   0.002% *  0.2556% (0.40   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  25.58 +/- 1.43   0.002% *  0.2389% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  30.10 +/- 1.74   0.001% *  0.5521% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  23.54 +/- 2.43   0.003% *  0.0880% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.75, support = 1.82, residual support = 5.15:
          HA    LEU   31 - HN    ALA   34   3.00 +/- 0.09  83.450% * 85.7756% (0.76   1.86   5.29) =  97.095%  kept
          HA    THR   77 - HN    LEU   80   4.37 +/- 1.15  16.548% * 12.9426% (0.34   0.64   0.64) =   2.905%  kept
          HA    LEU   31 - HN    LEU   80  20.93 +/- 3.47   0.001% *  0.8278% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  22.08 +/- 1.16   0.001% *  0.4539% (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 = 0.398, support = 3.26, residual support = 4.81:
          HA    ASP-  78 - HN    LEU   80   4.36 +/- 0.15  85.240% * 85.2226% (0.40   3.29   4.81) =  99.042%  kept
          HA    VAL   41 - HN    ALA   34   7.26 +/- 0.56   4.589% *  8.4725% (0.17   0.75   9.17) =   0.530%  kept
          HA    THR   23 - HN    LEU   80   8.50 +/- 3.07   8.355% *  3.5890% (0.18   0.31   1.02) =   0.409%
          HA    PHE   45 - HN    LEU   80   9.50 +/- 1.91   1.730% *  0.7937% (0.61   0.02   0.02) =   0.019%
          HA    PHE   45 - HN    ALA   34  17.92 +/- 0.86   0.019% *  0.8862% (0.69   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ALA   34  14.93 +/- 0.25   0.053% *  0.2553% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  20.20 +/- 2.42   0.011% *  0.2024% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  25.69 +/- 1.46   0.002% *  0.5784% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 3.49, residual support = 13.7:
          HB2   ASP-  76 - HN    LEU   80   4.58 +/- 0.72  52.526% * 28.7706% (0.75   2.91   2.63) =  48.645%  kept
          QE    LYS+  33 - HN    ALA   34   5.34 +/- 0.47  22.563% * 35.6081% (0.52   5.12  43.31) =  25.862%  kept
          HB2   ASP-  78 - HN    LEU   80   5.33 +/- 0.47  23.125% * 34.2408% (0.88   2.95   4.81) =  25.488%  kept
          HB2   ASN   28 - HN    ALA   34   9.75 +/- 0.28   0.544% *  0.1086% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  11.92 +/- 1.13   0.213% *  0.1918% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.64 +/- 1.19   0.963% *  0.0320% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  16.71 +/- 3.51   0.036% *  0.0973% (0.37   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  21.39 +/- 1.29   0.005% *  0.2206% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  20.99 +/- 2.55   0.006% *  0.1245% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  20.25 +/- 1.34   0.007% *  0.0734% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  25.41 +/- 1.33   0.002% *  0.2589% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.07 +/- 1.90   0.005% *  0.0658% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  28.18 +/- 1.88   0.001% *  0.1718% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  24.78 +/- 3.97   0.003% *  0.0357% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.434, support = 5.29, residual support = 47.8:
          HB2   GLU-  79 - HN    LEU   80   3.38 +/- 0.49  92.713% * 88.1514% (0.44   5.32  48.12) =  99.409%  kept
          HG3   GLU-  36 - HN    ALA   34   6.27 +/- 1.22   6.972% *  6.9562% (0.34   0.54   0.02) =   0.590%  kept
          HG2   MET   92 - HN    LEU   80  13.60 +/- 2.94   0.217% *  0.2324% (0.30   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  13.41 +/- 2.45   0.054% *  0.6678% (0.88   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.15 +/- 1.89   0.023% *  0.5909% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.58 +/- 0.33   0.012% *  0.7455% (0.98   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  21.26 +/- 2.61   0.003% *  0.2801% (0.37   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  21.44 +/- 2.05   0.002% *  0.3702% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.82 +/- 1.33   0.001% *  0.3127% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 0.78   0.001% *  0.2557% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.37 +/- 1.95   0.000% *  0.6598% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.89 +/- 0.84   0.001% *  0.2855% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.84 +/- 1.02   0.000% *  0.2594% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  28.24 +/- 3.37   0.000% *  0.2324% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.772, support = 5.42, residual support = 47.4:
          HB3   GLU-  79 - HN    LEU   80   2.70 +/- 0.56  91.795% * 68.0048% (0.78   5.47  48.12) =  98.450%  kept
          QB    GLU-  36 - HN    ALA   34   5.39 +/- 0.21   2.645% * 22.3890% (0.80   1.75   0.02) =   0.934%  kept
          QB    GLN   32 - HN    ALA   34   4.80 +/- 0.15   4.856% *  8.0303% (0.17   2.87   0.10) =   0.615%  kept
          HB3   GLU-  29 - HN    ALA   34   8.21 +/- 0.55   0.213% *  0.1557% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34   9.47 +/- 1.39   0.118% *  0.1557% (0.49   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LEU   80  10.71 +/- 4.18   0.229% *  0.0638% (0.20   0.02   4.58) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.05 +/- 0.84   0.092% *  0.0560% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  10.72 +/- 1.14   0.036% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  13.91 +/- 0.68   0.008% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  19.18 +/- 2.90   0.002% *  0.1395% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  21.41 +/- 2.55   0.001% *  0.2775% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  18.38 +/- 3.01   0.003% *  0.0502% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  25.20 +/- 2.82   0.000% *  0.2294% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  20.69 +/- 3.03   0.001% *  0.0502% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  28.33 +/- 2.66   0.000% *  0.1395% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  29.01 +/- 1.39   0.000% *  0.0987% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 0.225, residual support = 0.45:
          QG1   VAL   75 - HN    LEU   80   5.25 +/- 1.76  99.270% * 75.4282% (0.68   0.23   0.45) =  99.924%  kept
          QG1   VAL   75 - HN    ALA   34  14.91 +/- 1.07   0.473% *  7.4691% (0.76   0.02   0.02) =   0.047%
          QD1   LEU  115 - HN    LEU   80  17.61 +/- 2.12   0.170% *  8.0807% (0.82   0.02   0.02) =   0.018%
          QD1   LEU  115 - HN    ALA   34  20.66 +/- 1.01   0.087% *  9.0219% (0.92   0.02   0.02) =   0.010%
    Distance limit 4.58 A violated in 7 structures by 1.04 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 = 0.329, support = 6.12, residual support = 79.0:
          QD2   LEU   80 - HN    LEU   80   3.70 +/- 0.40  43.609% * 53.8202% (0.40   6.05  83.33) =  63.565%  kept
          QD1   LEU   80 - HN    LEU   80   3.77 +/- 0.86  40.783% * 27.7046% (0.18   7.06  83.33) =  30.601%  kept
          QG2   VAL   41 - HN    ALA   34   4.54 +/- 0.66  14.229% * 15.1129% (0.34   2.00   9.17) =   5.824%  kept
          QD1   LEU   73 - HN    ALA   34   7.15 +/- 1.11   0.834% *  0.3701% (0.83   0.02   0.02) =   0.008%
          QD2   LEU   98 - HN    ALA   34   7.83 +/- 0.90   0.426% *  0.0877% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   80  12.23 +/- 1.82   0.031% *  0.3315% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.56 +/- 0.75   0.013% *  0.3973% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.80 +/- 0.82   0.011% *  0.3701% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.44 +/- 0.90   0.034% *  0.1105% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.80 +/- 1.51   0.004% *  0.3315% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  17.95 +/- 4.80   0.005% *  0.1986% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  16.14 +/- 2.21   0.006% *  0.1354% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.95 +/- 1.53   0.002% *  0.3559% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  16.70 +/- 2.59   0.006% *  0.0785% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.07 +/- 1.75   0.002% *  0.1932% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.16 +/- 1.07   0.002% *  0.2157% (0.49   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  19.03 +/- 5.21   0.004% *  0.0877% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  23.20 +/- 2.12   0.001% *  0.0990% (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 = 0.696, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.55 +/- 2.08  22.656% * 31.5414% (1.00   0.02   0.02) =  48.216%  kept
          HB3   LEU  104 - HN    ALA   34  16.62 +/- 0.93  52.687% *  7.0378% (0.22   0.02   0.02) =  25.019%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.11 +/- 1.72  13.790% * 14.1725% (0.45   0.02   0.02) =  13.187%  kept
          QD2   LEU  123 - HN    LEU   80  24.69 +/- 1.83   5.360% * 28.2508% (0.89   0.02   0.02) =  10.218%  kept
          HG3   LYS+ 121 - HN    LEU   80  28.80 +/- 2.93   2.363% * 12.6939% (0.40   0.02   0.02) =   2.024%  kept
          HB3   LEU  104 - HN    LEU   80  27.28 +/- 2.66   3.144% *  6.3036% (0.20   0.02   0.02) =   1.337%  kept
    Distance limit 4.40 A violated in 20 structures by 10.50 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.74, support = 5.87, residual support = 43.1:
          QB    LYS+  33 - HN    ALA   34   2.86 +/- 0.21  93.812% * 47.8589% (0.74   5.92  43.31) =  97.812%  kept
          QB    LYS+  81 - HN    LEU   80   5.57 +/- 0.35   1.833% * 44.3979% (0.94   4.31  39.66) =   1.773%  kept
          HB3   GLN   30 - HN    ALA   34   5.00 +/- 0.56   4.106% *  4.6299% (0.32   1.32   1.15) =   0.414%
          HB3   GLN   90 - HN    LEU   80  10.75 +/- 1.43   0.065% *  0.2026% (0.93   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   34   9.04 +/- 0.29   0.105% *  0.1037% (0.47   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.17 +/- 3.52   0.054% *  0.0575% (0.26   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  16.73 +/- 2.08   0.004% *  0.1726% (0.79   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.63 +/- 0.83   0.004% *  0.1368% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.23 +/- 0.87   0.003% *  0.1709% (0.78   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  18.17 +/- 2.68   0.002% *  0.2067% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.09 +/- 1.10   0.002% *  0.1306% (0.60   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  17.90 +/- 1.52   0.002% *  0.1580% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  18.04 +/- 2.97   0.003% *  0.0850% (0.39   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.57 +/- 0.94   0.001% *  0.1482% (0.68   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  20.78 +/- 2.48   0.001% *  0.1955% (0.89   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  24.71 +/- 3.48   0.000% *  0.1705% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  24.90 +/- 3.30   0.000% *  0.1655% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  25.03 +/- 2.75   0.000% *  0.1793% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.85 +/- 0.99   0.000% *  0.1306% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  28.60 +/- 1.49   0.000% *  0.1675% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  28.45 +/- 1.45   0.000% *  0.1580% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.88 +/- 1.14   0.000% *  0.1427% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.62 +/- 0.69   0.000% *  0.0319% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.87 +/- 1.18   0.000% *  0.0475% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  29.86 +/- 2.63   0.000% *  0.1254% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.54 +/- 0.62   0.000% *  0.0264% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.71, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.98 +/- 0.04  99.687% * 98.3406% (0.24  10.0   3.71  25.50) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   5.94 +/- 0.90   0.184% *  0.3086% (0.76   1.0   0.02   0.64) =   0.001%
          QG2   THR   23 - HN    LEU   80   7.74 +/- 2.18   0.102% *  0.2493% (0.61   1.0   0.02   1.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.30 +/- 0.37   0.020% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  10.75 +/- 0.56   0.004% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.19 +/- 0.76   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.87 +/- 1.29   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  18.66 +/- 0.78   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  18.86 +/- 2.54   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.52 +/- 1.42   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  24.63 +/- 2.90   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  29.84 +/- 3.01   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 = 0.277, support = 5.74, residual support = 83.3:
      O   HB2   LEU   80 - HN    LEU   80   2.53 +/- 0.43  96.789% * 50.0996% (0.26  10.0   5.72  83.33) =  97.110%  kept
          HG    LEU   80 - HN    LEU   80   4.60 +/- 0.54   3.046% * 47.3754% (0.76   1.0   6.57  83.33) =   2.890%  kept
          HG    LEU   73 - HN    ALA   34   9.38 +/- 1.07   0.048% *  0.1244% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  10.53 +/- 0.88   0.040% *  0.1023% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.92 +/- 0.79   0.028% *  0.0508% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.82 +/- 0.71   0.006% *  0.1487% (0.78   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  13.68 +/- 1.63   0.007% *  0.1082% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  11.29 +/- 1.98   0.016% *  0.0278% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.10 +/- 0.76   0.002% *  0.1705% (0.89   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  15.14 +/- 2.07   0.002% *  0.1505% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  15.67 +/- 2.19   0.002% *  0.1377% (0.72   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.86 +/- 1.20   0.005% *  0.0371% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  18.37 +/- 0.50   0.001% *  0.1409% (0.74   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.82 +/- 0.76   0.001% *  0.1438% (0.75   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  18.73 +/- 2.09   0.001% *  0.1238% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.46 +/- 0.70   0.003% *  0.0230% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  22.09 +/- 5.42   0.000% *  0.1193% (0.63   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.64 +/- 1.35   0.000% *  0.1739% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  24.04 +/- 2.31   0.000% *  0.1798% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.65 +/- 1.33   0.000% *  0.1139% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.10 +/- 2.27   0.000% *  0.0615% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.86 +/- 2.50   0.001% *  0.0261% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.58 +/- 0.85   0.000% *  0.0508% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  22.22 +/- 4.00   0.000% *  0.0414% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  24.03 +/- 2.44   0.000% *  0.0615% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  24.41 +/- 2.06   0.000% *  0.0449% (0.24   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  28.79 +/- 3.30   0.000% *  0.1308% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  28.26 +/- 3.03   0.000% *  0.0316% (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 = 0.713, support = 0.792, residual support = 8.22:
          QG1   VAL   41 - HN    ALA   34   4.91 +/- 0.36  57.918% * 48.2913% (0.78   0.75   9.17) =  76.041%  kept
          HG    LEU   31 - HN    ALA   34   5.91 +/- 0.47  22.050% * 39.3174% (0.51   0.94   5.29) =  23.570%  kept
          QG2   THR   46 - HN    LEU   80   8.45 +/- 1.66   5.216% *  0.9468% (0.57   0.02   0.02) =   0.134%
          QD2   LEU   73 - HN    ALA   34   7.18 +/- 1.08   7.733% *  0.6282% (0.38   0.02   0.02) =   0.132%
          QG1   VAL   43 - HN    ALA   34   9.33 +/- 0.71   1.312% *  1.1914% (0.72   0.02   0.02) =   0.043%
          QD1   ILE   19 - HN    ALA   34   7.97 +/- 0.94   4.292% *  0.3588% (0.22   0.02   0.02) =   0.042%
          QG1   VAL   43 - HN    LEU   80  12.73 +/- 2.74   0.486% *  1.4410% (0.87   0.02   0.02) =   0.019%
          QG2   VAL   18 - HN    LEU   80  12.92 +/- 1.30   0.207% *  1.1335% (0.69   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    LEU   80  13.25 +/- 1.73   0.191% *  0.7598% (0.46   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ALA   34  13.42 +/- 0.68   0.141% *  0.9372% (0.57   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ALA   34  12.33 +/- 0.63   0.232% *  0.2260% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   80  18.34 +/- 2.29   0.025% *  1.5575% (0.94   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   80  19.08 +/- 4.11   0.033% *  1.0098% (0.61   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    LEU   80  16.00 +/- 1.78   0.057% *  0.4340% (0.26   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  17.22 +/- 1.01   0.031% *  0.7828% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  15.96 +/- 1.56   0.058% *  0.3892% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    ALA   34  20.88 +/- 1.02   0.010% *  0.3218% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  23.07 +/- 2.58   0.006% *  0.2734% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.05, residual support = 83.3:
          QD2   LEU   80 - HN    LEU   80   3.70 +/- 0.40  77.415% * 96.9488% (0.85   6.05  83.33) =  99.966%  kept
          QG1   VAL   83 - HN    LEU   80   5.18 +/- 0.96  19.964% *  0.0891% (0.24   0.02   0.02) =   0.024%
          QD1   LEU   73 - HN    ALA   34   7.15 +/- 1.11   2.371% *  0.2896% (0.77   0.02   0.02) =   0.009%
          QD1   LEU   73 - HN    LEU   80  12.23 +/- 1.82   0.091% *  0.3503% (0.93   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.44 +/- 0.90   0.063% *  0.2030% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.80 +/- 0.82   0.020% *  0.2896% (0.77   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  17.95 +/- 4.80   0.018% *  0.2650% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.80 +/- 1.51   0.010% *  0.3503% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.56 +/- 0.75   0.023% *  0.1325% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.07 +/- 1.75   0.005% *  0.3299% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.16 +/- 1.07   0.003% *  0.2727% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.95 +/- 1.53   0.005% *  0.1602% (0.42   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  18.63 +/- 3.01   0.010% *  0.0737% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  23.20 +/- 2.12   0.002% *  0.2455% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.225, residual support = 0.451:
          QG1   VAL   75 - HN    LEU   80   5.25 +/- 1.76  99.270% * 85.0290% (0.46   0.23   0.45) =  99.951%  kept
          QG1   VAL   75 - HN    ALA   34  14.91 +/- 1.07   0.473% *  6.2353% (0.38   0.02   0.02) =   0.035%
          QD1   LEU  115 - HN    LEU   80  17.61 +/- 2.12   0.170% *  4.7819% (0.29   0.02   0.02) =   0.010%
          QD1   LEU  115 - HN    ALA   34  20.66 +/- 1.01   0.087% *  3.9538% (0.24   0.02   0.02) =   0.004%
    Distance limit 4.39 A violated in 7 structures by 1.16 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 = 0.623, support = 3.5, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.03  95.017% * 89.3920% (0.63  10.0   3.52  25.50) =  99.538%  kept
          HA    LYS+  81 - HN    LEU   80   4.69 +/- 0.24   4.248% *  9.2610% (0.29   1.0   4.44  39.66) =   0.461%
          HA    ASN   28 - HN    ALA   34   7.85 +/- 0.22   0.185% *  0.1056% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.90 +/- 0.10   0.400% *  0.0249% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.17 +/- 1.50   0.105% *  0.0677% (0.47   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ALA   34  10.57 +/- 0.37   0.031% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  17.19 +/- 3.63   0.003% *  0.1277% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  16.63 +/- 1.01   0.002% *  0.1128% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  15.11 +/- 2.52   0.005% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.31 +/- 2.23   0.000% *  0.1246% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.10 +/- 0.82   0.000% *  0.1031% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  24.24 +/- 2.86   0.000% *  0.1081% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.92 +/- 2.61   0.000% *  0.0811% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  24.96 +/- 3.11   0.000% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.01 +/- 2.44   0.000% *  0.0605% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.31 +/- 0.96   0.000% *  0.0932% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.56 +/- 1.31   0.000% *  0.0501% (0.35   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  26.58 +/- 3.23   0.000% *  0.0345% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.88 +/- 2.36   0.000% *  0.0980% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  29.48 +/- 3.14   0.000% *  0.0301% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.588, support = 1.81, residual support = 5.11:
          HA    LEU   31 - HN    ALA   34   3.00 +/- 0.09  83.450% * 81.8279% (0.60   1.86   5.29) =  96.116%  kept
          HA    THR   77 - HN    LEU   80   4.37 +/- 1.15  16.548% * 16.6726% (0.36   0.64   0.64) =   3.884%  kept
          HA    LEU   31 - HN    LEU   80  20.93 +/- 3.47   0.001% *  1.0664% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  22.08 +/- 1.16   0.001% *  0.4330% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.683, support = 3.62, residual support = 16.0:
          HB2   ASP-  76 - HN    LEU   80   4.58 +/- 0.72  52.526% * 22.0498% (0.57   2.91   2.63) =  39.852%  kept
          QE    LYS+  33 - HN    ALA   34   5.34 +/- 0.47  22.563% * 40.4269% (0.60   5.12  43.31) =  31.387%  kept
          HB2   ASP-  78 - HN    LEU   80   5.33 +/- 0.47  23.125% * 36.1389% (0.93   2.95   4.81) =  28.756%  kept
          HB2   ASN   28 - HN    ALA   34   9.75 +/- 0.28   0.544% *  0.1336% (0.51   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    LEU   80   9.64 +/- 1.19   0.963% *  0.0694% (0.26   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  11.92 +/- 1.13   0.213% *  0.1005% (0.38   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  16.71 +/- 3.51   0.036% *  0.1615% (0.61   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  20.99 +/- 2.55   0.006% *  0.1908% (0.72   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  20.25 +/- 1.34   0.007% *  0.1005% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.07 +/- 1.90   0.005% *  0.1215% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  21.39 +/- 1.29   0.005% *  0.1252% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  25.41 +/- 1.33   0.002% *  0.2024% (0.77   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  24.78 +/- 3.97   0.003% *  0.0574% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  28.18 +/- 1.88   0.001% *  0.1215% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.458, support = 5.29, residual support = 47.9:
          HB2   GLU-  79 - HN    LEU   80   3.38 +/- 0.49  92.713% * 90.4005% (0.46   5.32  48.12) =  99.561%  kept
          HG3   GLU-  36 - HN    ALA   34   6.27 +/- 1.22   6.972% *  5.2829% (0.27   0.54   0.02) =   0.438%
          HG2   MET   92 - HN    LEU   80  13.60 +/- 2.94   0.217% *  0.2383% (0.32   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  13.41 +/- 2.45   0.054% *  0.6848% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.15 +/- 1.89   0.023% *  0.6060% (0.82   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.58 +/- 0.33   0.012% *  0.5662% (0.77   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  21.26 +/- 2.61   0.003% *  0.2872% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  21.44 +/- 2.05   0.002% *  0.2812% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 0.78   0.001% *  0.2622% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.82 +/- 1.33   0.001% *  0.2375% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.37 +/- 1.95   0.000% *  0.5011% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.89 +/- 0.84   0.001% *  0.2168% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  28.24 +/- 3.37   0.000% *  0.2383% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.84 +/- 1.02   0.000% *  0.1970% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.93, residual support = 42.6:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  72.515% * 92.3259% (0.78  10.0   6.97  43.31) =  98.344%  kept
          HA    GLN   32 - HN    ALA   34   4.56 +/- 0.14  17.631% *  6.3575% (0.22   1.0   4.95   0.10) =   1.646%  kept
          HB2   SER   82 - HN    LEU   80   6.54 +/- 0.96   3.888% *  0.1001% (0.85   1.0   0.02   0.32) =   0.006%
          HA    GLU-  29 - HN    ALA   34   7.30 +/- 0.33   1.081% *  0.0891% (0.75   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ALA   34   5.97 +/- 0.50   4.092% *  0.0206% (0.17   1.0   0.02   2.19) =   0.001%
          HA    SER   48 - HN    LEU   80   9.65 +/- 2.02   0.392% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34   9.58 +/- 0.63   0.219% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.68 +/- 0.70   0.113% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.51 +/- 0.84   0.028% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  17.39 +/- 1.53   0.007% *  0.1056% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  19.75 +/- 3.18   0.004% *  0.1078% (0.91   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  14.40 +/- 1.45   0.022% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  25.19 +/- 4.79   0.001% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.95 +/- 1.98   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  25.12 +/- 2.98   0.001% *  0.1117% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.55 +/- 2.08   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.03 +/- 0.90   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  24.12 +/- 3.56   0.001% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  26.30 +/- 0.95   0.000% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  26.81 +/- 2.64   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.65 +/- 3.15   0.000% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.54 +/- 1.68   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.311, support = 0.0198, residual support = 0.657:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.28  74.526% *  3.3143% (0.17  1.00   0.02   1.15) =  56.570%  kept
          HN    GLU-  29 - HN    ALA   34   8.44 +/- 0.27  11.264% * 11.4785% (0.61  1.00   0.02   0.02) =  29.612%  kept
          HN    ASP-  86 - HN    LEU   80   8.48 +/- 0.94  13.154% *  3.7738% (0.20  1.00   0.02   0.02) =  11.369%  kept
          HN    GLU-  29 - HN    LEU   80  17.05 +/- 3.19   0.349% * 10.2810% (0.54  1.00   0.02   0.02) =   0.821%  kept
          HN    VAL   18 - HN    ALA   34  16.07 +/- 0.76   0.259% * 13.7422% (0.72  1.00   0.02   0.02) =   0.816%  kept
          HN    VAL   18 - HN    LEU   80  17.72 +/- 1.38   0.160% * 12.3085% (0.65  1.00   0.02   0.02) =   0.451%
          HN    GLN   30 - HN    LEU   80  17.72 +/- 3.22   0.269% *  2.9685% (0.16  1.00   0.02   0.02) =   0.183%
        T HN    ASP-  86 - HN    ALA   34  26.21 +/- 3.62   0.018% * 42.1332% (0.22 10.00   0.02   0.02) =   0.178%
    Distance limit 3.75 A violated in 20 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 0.0199, residual support = 0.603:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.28  74.526% *  2.6057% (0.11  1.00   0.02   1.15) =  51.831%  kept
          HN    GLU-  29 - HN    ALA   34   8.44 +/- 0.27  11.264% * 10.1298% (0.41  1.00   0.02   0.02) =  30.455%  kept
          HN    ASP-  86 - HN    LEU   80   8.48 +/- 0.94  13.154% *  4.0782% (0.17  1.00   0.02   0.02) =  14.318%  kept
          HN    GLU-  29 - HN    LEU   80  17.05 +/- 3.19   0.349% * 12.2517% (0.50  1.00   0.02   0.02) =   1.140%  kept
          HN    VAL   18 - HN    ALA   34  16.07 +/- 0.76   0.259% * 15.4172% (0.63  1.00   0.02   0.02) =   1.067%  kept
          HN    VAL   18 - HN    LEU   80  17.72 +/- 1.38   0.160% * 18.6466% (0.76  1.00   0.02   0.02) =   0.796%  kept
          HN    GLN   30 - HN    LEU   80  17.72 +/- 3.22   0.269% *  3.1515% (0.13  1.00   0.02   0.02) =   0.227%
        T HN    ASP-  86 - HN    ALA   34  26.21 +/- 3.62   0.018% * 33.7193% (0.14 10.00   0.02   0.02) =   0.166%
    Distance limit 3.73 A violated in 20 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.68 +/- 0.09  99.994% * 98.3004% (0.54 10.00   4.04  18.78) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  24.94 +/- 3.26   0.000% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.76 +/- 0.70   0.004% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.96 +/- 2.42   0.001% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  20.63 +/- 2.88   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.30 +/- 2.30   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  30.86 +/- 2.98   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.68 +/- 0.85   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.84, residual support = 39.7:
          HN    LYS+  81 - HN    LEU   80   3.88 +/- 0.30  99.164% * 98.5670% (0.94   4.84  39.66) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80  12.51 +/- 4.05   0.512% *  0.0633% (0.15   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.10 +/- 0.76   0.045% *  0.3682% (0.85   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   34  11.31 +/- 1.21   0.246% *  0.0524% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.32 +/- 0.75   0.020% *  0.3044% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.71 +/- 0.68   0.009% *  0.1395% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  25.45 +/- 3.94   0.002% *  0.3364% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.87 +/- 1.15   0.002% *  0.1688% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 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        :    663
      with multiple volume contributions     :    309
      eliminated by violation filter         :     44
 
    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-  62       2.7
    HN    THR   94       3.0
 
    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 = 0.597, support = 3.31, residual support = 46.8:
      O T HB2   GLU-  14 - HA    GLU-  14   2.91 +/- 0.19  83.203% * 27.7351% (0.39  10.0 10.00   2.96  48.69) =  66.247%  kept
    * O T HG2   MET   11 - HA    MET   11   3.93 +/- 0.41  16.598% * 70.8328% (1.00  10.0 10.00   4.00  43.10) =  33.751%  kept
        T HB2   GLU-  14 - HA    MET   11  10.64 +/- 1.13   0.046% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.32 +/- 0.84   0.046% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.23 +/- 2.32   0.103% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.30 +/- 2.54   0.003% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.02 +/- 0.76   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.04 +/- 1.01   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.27 +/- 1.27   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.39 +/- 1.18   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.03 +/- 1.22   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.47 +/- 2.00   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.56 +/- 1.97   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.19 +/- 1.77   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.97 +/- 1.41   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  37.64 +/- 1.95   0.000% *  0.0096% (0.14   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.614, support = 3.36, residual support = 46.5:
      O T HB3   GLU-  14 - HA    GLU-  14   2.65 +/- 0.17  80.987% * 26.7596% (0.37  10.0 10.00   2.96  48.69) =  61.310%  kept
    * O T HG3   MET   11 - HA    MET   11   3.52 +/- 0.39  18.972% * 72.0852% (1.00  10.0 10.00   4.00  43.10) =  38.690%  kept
        T HB3   GLU-  14 - HA    MET   11  11.42 +/- 1.26   0.016% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HA    GLU-  14  10.63 +/- 0.51   0.020% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.87 +/- 1.05   0.001% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.92 +/- 1.29   0.002% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.69 +/- 2.61   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.59 +/- 1.77   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.22 +/- 0.84   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.41 +/- 0.77   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.47 +/- 1.88   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.52 +/- 1.28   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.50 +/- 1.22   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.37 +/- 1.57   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.629, support = 3.53, residual support = 44.7:
    * O T HA    MET   11 - HG2   MET   11   3.93 +/- 0.41  14.581% * 80.1741% (1.00  10.0 10.00   4.00  43.10) =  54.963%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.91 +/- 0.19  73.084% * 12.3430% (0.15  10.0 10.00   2.96  48.69) =  42.413%  kept
          HA    ALA   12 - HG2   MET   11   4.35 +/- 0.56   9.264% *  6.0220% (0.53   1.0  1.00   2.86  12.10) =   2.623%  kept
        T HA    GLU-  14 - HG2   MET   11  10.32 +/- 0.84   0.039% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.64 +/- 1.13   0.040% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   7.50 +/- 1.07   0.403% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   5.67 +/- 0.67   2.148% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.03 +/- 0.49   0.417% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  13.95 +/- 1.53   0.008% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.70 +/- 1.34   0.003% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.71 +/- 0.86   0.005% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.71 +/- 2.85   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.36 +/- 1.17   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.49 +/- 2.20   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.02 +/- 1.16   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  18.24 +/- 1.45   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.04 +/- 1.75   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.26 +/- 1.75   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.04 +/- 1.01   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.95 +/- 2.74   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  20.19 +/- 1.62   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.48 +/- 1.22   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  31.49 +/- 2.87   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.82 +/- 1.69   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.27 +/- 1.27   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.70 +/- 2.93   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.75 +/- 0.60   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.67 +/- 2.13   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  29.31 +/- 1.51   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.41 +/- 1.83   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.12 +/- 3.37   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  41.92 +/- 3.65   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  41.05 +/- 4.38   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.52 +/- 1.68   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.07 +/- 0.83   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.73 +/- 1.29   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 = 3.29, residual support = 43.8:
    * O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.12  58.186% * 80.4450% (1.00  10.0 10.00   3.31  43.10) =  86.855%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.15  41.532% * 17.0553% (0.21  10.0 10.00   3.17  48.69) =  13.144%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.68 +/- 0.42   0.239% *  0.2188% (0.27   1.0 10.00   0.02   0.73) =   0.001%
        T QG    GLU-  14 - HG2   MET   11   9.59 +/- 1.08   0.013% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.51 +/- 1.96   0.007% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.95 +/- 1.03   0.012% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  20.90 +/- 4.46   0.000% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  16.69 +/- 2.42   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.40 +/- 1.41   0.003% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  12.62 +/- 1.71   0.003% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.41 +/- 0.71   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.00 +/- 1.15   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.88 +/- 0.78   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.86 +/- 1.76   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.66 +/- 1.17   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.09 +/- 1.92   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.24 +/- 1.26   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.86 +/- 1.31   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.82 +/- 1.77   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.74 +/- 1.00   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.24 +/- 2.35   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.64 +/- 1.21   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  17.47 +/- 1.12   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.87 +/- 1.50   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  30.50 +/- 3.11   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.34 +/- 1.85   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.78 +/- 1.84   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.18 +/- 2.53   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.63 +/- 1.29   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.12 +/- 1.86   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  36.21 +/- 2.26   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.14 +/- 2.43   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  39.49 +/- 1.70   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.997% * 72.5786% (1.00  10.0 10.00   4.00  43.10) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.998% * 25.7103% (0.35  10.0 10.00   3.00  48.69) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.84 +/- 1.24   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  11.50 +/- 0.93   0.001% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.25 +/- 0.75   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  21.94 +/- 1.43   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.05 +/- 1.56   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  29.90 +/- 2.32   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.50 +/- 1.34   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.92 +/- 1.11   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  25.22 +/- 1.67   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.57 +/- 2.61   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.40 +/- 1.31   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  22.43 +/- 2.84   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.70 +/- 0.78   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.61 +/- 2.30   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  26.05 +/- 1.20   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.36 +/- 1.84   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.60 +/- 1.29   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  25.56 +/- 0.82   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  38.43 +/- 1.91   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.674, support = 3.59, residual support = 44.8:
    * O T HA    MET   11 - HG3   MET   11   3.52 +/- 0.39  18.183% * 80.8667% (1.00  10.0 10.00   4.00  43.10) =  61.179%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.65 +/- 0.17  76.329% * 11.8030% (0.15  10.0 10.00   2.96  48.69) =  37.484%  kept
          HA    ALA   12 - HG3   MET   11   4.42 +/- 0.73   5.316% *  6.0436% (0.53   1.0  1.00   2.84  12.10) =   1.337%  kept
        T HA    GLU-  14 - HG3   MET   11  10.63 +/- 0.51   0.019% *  0.3325% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  11.42 +/- 1.26   0.015% *  0.2871% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   8.07 +/- 1.04   0.133% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  15.70 +/- 1.50   0.002% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.82 +/- 1.31   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.20 +/- 2.43   0.000% *  0.0394% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.74 +/- 1.36   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.27 +/- 2.28   0.000% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  24.84 +/- 1.77   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.51 +/- 1.29   0.000% *  0.0807% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  19.30 +/- 1.80   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  32.45 +/- 2.27   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  31.76 +/- 2.75   0.000% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  35.20 +/- 1.45   0.000% *  0.0793% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  32.47 +/- 2.93   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  28.64 +/- 1.98   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  29.79 +/- 1.29   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  31.99 +/- 3.32   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  42.26 +/- 3.42   0.000% *  0.0793% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  41.40 +/- 4.19   0.000% *  0.0394% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  38.96 +/- 1.39   0.000% *  0.0304% (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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.828, support = 3.28, residual support = 44.3:
    * O T QB    MET   11 - HG3   MET   11   2.51 +/- 0.11  42.084% * 81.3901% (1.00  10.0 10.00   3.31  43.10) =  78.475%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.37 +/- 0.14  57.421% * 16.3595% (0.20  10.0 10.00   3.17  48.69) =  21.522%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.40 +/- 0.49   0.459% *  0.2098% (0.26   1.0 10.00   0.02   0.73) =   0.002%
        T QG    GLU-  14 - HG3   MET   11   9.83 +/- 0.93   0.013% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.95 +/- 1.59   0.006% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14  10.62 +/- 1.01   0.010% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  21.15 +/- 4.22   0.000% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.85 +/- 1.69   0.005% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  17.33 +/- 2.37   0.001% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.41 +/- 1.35   0.001% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.55 +/- 1.43   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.28 +/- 1.31   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.00 +/- 2.38   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.05 +/- 1.76   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.67 +/- 2.09   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.42 +/- 2.06   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  30.79 +/- 2.89   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.00 +/- 1.53   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.67 +/- 2.15   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  36.54 +/- 2.12   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.71 +/- 2.06   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  39.92 +/- 1.33   0.000% *  0.0305% (0.38   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  43.10) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 25.4564% (0.35  10.0 10.00   3.00  48.69) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.50 +/- 0.93   0.001% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.84 +/- 1.24   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  10.77 +/- 2.31   0.002% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  17.36 +/- 3.09   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.33 +/- 2.03   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  38.85 +/- 2.01   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  22.54 +/- 1.54   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  25.22 +/- 1.67   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.36 +/- 1.84   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  23.79 +/- 2.07   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.28 +/- 2.83   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.59 +/- 1.53   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  27.73 +/- 1.81   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.13 +/- 2.07   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.907, support = 3.38, residual support = 43.7:
    * O T HA    MET   11 - QB    MET   11   2.26 +/- 0.11  51.217% * 85.1002% (1.00  10.0 10.00   3.37  43.10) =  89.266%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.44  46.149% * 11.3536% (0.13  10.0 10.00   3.46  48.69) =  10.731%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.79 +/- 0.71   0.999% *  0.0843% (0.10   1.0 10.00   0.02   0.73) =   0.002%
          HA    ALA   12 - QB    MET   11   4.13 +/- 0.15   1.351% *  0.0448% (0.53   1.0  1.00   0.02  12.10) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.15 +/- 1.11   0.015% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.40 +/- 0.47   0.010% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.22 +/- 1.02   0.216% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.72 +/- 1.21   0.003% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.06 +/- 1.35   0.019% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  16.18 +/- 0.88   0.000% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  10.76 +/- 1.51   0.006% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.02 +/- 1.29   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.01 +/- 1.56   0.011% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.05 +/- 1.30   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  15.23 +/- 1.80   0.001% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.14 +/- 2.83   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.21 +/- 2.23   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.63 +/- 1.43   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  20.02 +/- 3.41   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.27 +/- 1.28   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.38 +/- 2.35   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.55 +/- 1.53   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.98 +/- 1.63   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  19.44 +/- 3.39   0.000% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  18.16 +/- 2.35   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.48 +/- 2.13   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  16.92 +/- 0.91   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  28.16 +/- 2.16   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.31 +/- 1.02   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.13 +/- 1.29   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.05 +/- 1.70   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.25 +/- 1.02   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.22 +/- 1.65   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  29.73 +/- 2.74   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.58 +/- 0.93   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  37.44 +/- 3.61   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.31 +/- 1.37   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  30.34 +/- 2.19   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.32 +/- 3.19   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.99 +/- 1.22   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  36.60 +/- 4.26   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  34.78 +/- 1.03   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  29.74 +/- 1.80   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  29.80 +/- 2.71   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  34.31 +/- 3.74   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  32.26 +/- 4.20   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.54 +/- 1.79   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.99 +/- 2.05   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 = 0.871, support = 3.29, residual support = 44.2:
    * O T HG2   MET   11 - QB    MET   11   2.25 +/- 0.12  54.185% * 73.8446% (1.00  10.0 10.00   3.31  43.10) =  80.919%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.39 +/- 0.15  39.456% * 23.9110% (0.32  10.0 10.00   3.17  48.69) =  19.079%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.68 +/- 0.42   0.227% *  0.1776% (0.24   1.0 10.00   0.02   0.73) =   0.001%
          HB2   PRO   68 - QG    GLU-  15   4.91 +/- 1.75   6.087% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - QB    MET   11   9.95 +/- 1.03   0.011% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.59 +/- 1.08   0.013% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.51 +/- 1.96   0.006% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  10.61 +/- 2.48   0.013% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  16.69 +/- 2.42   0.000% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  20.90 +/- 4.46   0.000% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  15.31 +/- 2.49   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  18.79 +/- 0.95   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.06 +/- 1.12   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  23.24 +/- 1.26   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  22.66 +/- 1.17   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  17.00 +/- 2.31   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.64 +/- 1.21   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.92 +/- 1.41   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.45 +/- 1.75   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.85 +/- 0.93   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.30 +/- 1.62   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.16 +/- 2.12   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.24 +/- 2.08   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.58 +/- 2.73   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  34.59 +/- 1.69   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.69 +/- 1.65   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.25 +/- 1.24   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.01 +/- 1.72   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.12 +/- 1.86   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.72 +/- 1.97   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.96 +/- 1.75   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  27.86 +/- 1.81   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 = 0.795, support = 3.27, residual support = 44.7:
    * O T HG3   MET   11 - QB    MET   11   2.51 +/- 0.11  42.074% * 75.1074% (1.00  10.0 10.00   3.31  43.10) =  70.477%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.37 +/- 0.14  57.409% * 23.0568% (0.31  10.0 10.00   3.17  48.69) =  29.521%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.40 +/- 0.49   0.459% *  0.1713% (0.23   1.0 10.00   0.02   0.73) =   0.002%
        T HB3   GLU-  14 - QB    MET   11  10.62 +/- 1.01   0.010% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 0.93   0.013% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.95 +/- 1.59   0.006% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  17.33 +/- 2.37   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.05 +/- 1.50   0.008% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  21.15 +/- 4.22   0.000% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  10.54 +/- 1.20   0.010% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.85 +/- 1.89   0.003% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  12.90 +/- 1.62   0.003% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.81 +/- 1.60   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.69 +/- 1.59   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.36 +/- 1.23   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.02 +/- 1.93   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.72 +/- 2.50   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.43 +/- 1.02   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.11 +/- 1.43   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.96 +/- 1.13   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.91 +/- 1.21   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.50 +/- 1.19   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  28.24 +/- 1.90   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.64 +/- 1.81   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.25 +/- 1.52   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.49 +/- 1.42   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.15 +/- 1.87   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  30.90 +/- 1.76   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.01  99.999% * 99.1918% (0.82  10.0 10.00   2.00  12.39) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  18.19 +/- 2.88   0.000% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.56 +/- 2.04   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  21.55 +/- 2.36   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.78 +/- 1.58   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.27 +/- 1.51   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.74 +/- 1.57   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  31.31 +/- 1.92   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  32.29 +/- 1.48   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  31.67 +/- 2.38   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  29.88 +/- 2.64   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  35.75 +/- 1.07   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.97 +/- 1.31   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.01  96.733% * 99.5569% (0.82  10.0 10.00   2.00  12.39) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.82 +/- 0.18   2.954% *  0.0286% (0.24   1.0  1.00   0.02  12.10) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.79 +/- 0.68   0.313% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  26.17 +/- 1.16   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.68 +/- 0.97   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  31.40 +/- 3.27   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.19 +/- 1.35   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  32.30 +/- 3.83   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  32.06 +/- 2.64   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.927, support = 2.02, residual support = 10.5:
    * O T QB    SER   13 - HA    SER   13   2.45 +/- 0.13  73.543% * 64.9056% (1.00  10.0 10.00   1.93   7.46) =  85.231%  kept
      O T HB3   SER   37 - HA    SER   37   2.96 +/- 0.17  25.209% * 32.8086% (0.51  10.0 10.00   2.55  27.70) =  14.768%  kept
          HB    THR   39 - HA    SER   37   5.33 +/- 0.97   1.144% *  0.0346% (0.53   1.0  1.00   0.02   2.30) =   0.001%
        T QB    SER   13 - HA    SER   37  14.02 +/- 2.46   0.004% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.84 +/- 1.87   0.002% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.61 +/- 1.07   0.058% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.65 +/- 1.52   0.019% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.84 +/- 1.87   0.002% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.47 +/- 0.56   0.013% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.01 +/- 2.25   0.003% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.67 +/- 0.99   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.51 +/- 1.37   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.94 +/- 0.95   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  16.10 +/- 2.24   0.001% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.50 +/- 0.76   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.29 +/- 0.90   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.58 +/- 1.23   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.63 +/- 1.11   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.90 +/- 2.87   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.46 +/- 2.99   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  31.16 +/- 4.10   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.99 +/- 2.96   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.07 +/- 1.50   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.66 +/- 1.79   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 = 0.928, support = 2.03, residual support = 10.6:
    * O T HA    SER   13 - QB    SER   13   2.45 +/- 0.13  73.907% * 63.8850% (1.00  10.0 10.00   1.93   7.46) =  84.661%  kept
      O T HA    SER   37 - HB3   SER   37   2.96 +/- 0.17  25.304% * 33.8056% (0.53  10.0 10.00   2.55  27.70) =  15.338%  kept
          HA    GLU-  15 - QB    SER   13   6.49 +/- 0.65   0.262% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   5.95 +/- 0.32   0.390% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   7.81 +/- 0.57   0.080% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.02 +/- 2.46   0.004% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.84 +/- 1.87   0.002% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.77 +/- 1.10   0.016% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.48 +/- 1.29   0.006% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.43 +/- 0.70   0.025% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.88 +/- 1.54   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.51 +/- 1.37   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.16 +/- 1.10   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.94 +/- 0.95   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.19 +/- 1.30   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.80 +/- 2.86   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.55 +/- 2.39   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.19 +/- 1.95   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.31 +/- 1.05   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.87 +/- 1.59   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.03 +/- 1.13   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  25.81 +/- 1.07   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.956, support = 3.03, residual support = 48.3:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.91 +/- 0.19  83.200% * 70.8449% (1.00  10.0 10.00   2.96  48.69) =  92.754%  kept
      O T HG2   MET   11 - HA    MET   11   3.93 +/- 0.41  16.597% * 27.7398% (0.39  10.0 10.00   4.00  43.10) =   7.245%  kept
        T HG2   MET   11 - HA    GLU-  14  10.32 +/- 0.84   0.046% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11  10.64 +/- 1.13   0.046% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.23 +/- 2.32   0.103% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.02 +/- 0.76   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.30 +/- 2.54   0.003% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  17.74 +/- 1.51   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.04 +/- 1.01   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.47 +/- 2.00   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.03 +/- 1.22   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.42 +/- 3.00   0.001% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.39 +/- 1.18   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.27 +/- 1.27   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.56 +/- 1.97   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.19 +/- 1.77   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.848, support = 3.42, residual support = 46.8:
    * O T QG    GLU-  14 - HA    GLU-  14   2.38 +/- 0.44  46.851% * 45.0668% (1.00  10.0 10.00   3.46  48.69) =  78.861%  kept
      O T QB    MET   11 - HA    MET   11   2.26 +/- 0.11  52.099% * 10.0127% (0.22  10.0 10.00   3.37  43.10) =  19.484%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.79 +/- 0.71   1.019% * 43.4925% (0.97   1.0 10.00   2.38   0.73) =   1.655%  kept
        T QG    GLU-  14 - HA    MET   11   9.15 +/- 1.11   0.016% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   9.40 +/- 0.47   0.010% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.72 +/- 1.21   0.003% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.76 +/- 0.87   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  13.12 +/- 1.08   0.002% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.76 +/- 1.37   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  18.93 +/- 1.50   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.63 +/- 1.18   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  22.01 +/- 1.52   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.82 +/- 1.70   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  23.01 +/- 3.58   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.58 +/- 1.63   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.50 +/- 1.07   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  36.06 +/- 2.50   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  39.50 +/- 1.57   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 = 0.971, support = 2.99, residual support = 48.3:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.91 +/- 0.19  75.046% * 81.8202% (1.00  10.0 10.00   2.96  48.69) =  96.408%  kept
      O T HA    MET   11 - HG2   MET   11   3.93 +/- 0.41  14.914% * 12.5964% (0.15  10.0 10.00   4.00  43.10) =   2.950%  kept
          HA    ALA   12 - HG2   MET   11   4.35 +/- 0.56   9.525% *  4.2876% (0.37   1.0  1.00   2.86  12.10) =   0.641%  kept
          HA    ALA   12 - HB2   GLU-  14   7.50 +/- 1.07   0.416% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.64 +/- 1.13   0.041% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.32 +/- 0.84   0.040% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.36 +/- 1.17   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  13.95 +/- 1.53   0.008% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.71 +/- 0.86   0.005% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.04 +/- 1.01   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.82 +/- 1.13   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.26 +/- 1.75   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.02 +/- 1.16   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.12 +/- 3.37   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.67 +/- 2.13   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.48 +/- 1.22   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.57 +/- 0.67   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.27 +/- 1.27   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.70 +/- 2.93   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  33.25 +/- 2.87   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.04 +/- 1.75   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  32.87 +/- 4.49   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.19 +/- 1.52   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.73 +/- 1.29   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.75 +/- 0.60   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  41.05 +/- 4.38   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.95 +/- 2.74   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.82 +/- 1.69   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  41.92 +/- 3.65   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  42.11 +/- 4.98   0.000% *  0.0041% (0.05   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 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 = 0.82, support = 3.21, residual support = 47.4:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.15  41.532% * 80.2785% (1.00  10.0 10.00   3.17  48.69) =  77.096%  kept
      O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.12  58.187% * 17.0200% (0.21  10.0 10.00   3.31  43.10) =  22.900%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.68 +/- 0.42   0.239% *  0.7747% (0.97   1.0 10.00   0.02   0.73) =   0.004%
        T QB    MET   11 - HB2   GLU-  14   9.95 +/- 1.03   0.012% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.59 +/- 1.08   0.013% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.51 +/- 1.96   0.007% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.40 +/- 1.41   0.003% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.41 +/- 0.71   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.00 +/- 1.15   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.86 +/- 1.76   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.88 +/- 0.78   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  16.73 +/- 1.80   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.97 +/- 2.15   0.003% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.66 +/- 1.17   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.24 +/- 1.26   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.87 +/- 1.50   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.74 +/- 1.00   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.09 +/- 1.92   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.78 +/- 1.84   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.82 +/- 1.77   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  24.03 +/- 3.60   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.64 +/- 1.21   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.68 +/- 1.25   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.14 +/- 2.43   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  36.21 +/- 2.26   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.42 +/- 1.15   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  39.55 +/- 1.70   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 = 0.888, support = 3.44, residual support = 48.0:
    * O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.44  46.156% * 85.4905% (1.00  10.0 10.00   3.46  48.69) =  87.086%  kept
      O T HA    MET   11 - QB    MET   11   2.26 +/- 0.11  51.228% * 11.4057% (0.13  10.0 10.00   3.37  43.10) =  12.896%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.79 +/- 0.71   0.999% *  0.7522% (0.88   1.0 10.00   0.02   0.73) =   0.017%
          HA    ALA   12 - QB    MET   11   4.13 +/- 0.15   1.352% *  0.0272% (0.32   1.0  1.00   0.02  12.10) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.22 +/- 1.02   0.216% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.15 +/- 1.11   0.015% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.40 +/- 0.47   0.010% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.06 +/- 1.35   0.019% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.72 +/- 1.21   0.003% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  16.18 +/- 0.88   0.000% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.02 +/- 1.29   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.50 +/- 1.40   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.63 +/- 1.43   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  24.06 +/- 1.47   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.05 +/- 1.30   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.98 +/- 1.63   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.55 +/- 1.53   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.32 +/- 3.19   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.31 +/- 1.02   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  29.80 +/- 2.71   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  29.73 +/- 2.74   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  29.70 +/- 2.13   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  30.34 +/- 2.19   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  30.01 +/- 3.93   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  30.03 +/- 3.43   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  36.60 +/- 4.26   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.48 +/- 2.13   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.22 +/- 1.65   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  37.44 +/- 3.61   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  37.61 +/- 4.80   0.000% *  0.0038% (0.04   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 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.2, residual support = 47.7:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.37 +/- 0.14  57.420% * 74.4402% (1.00  10.0 10.00   3.17  48.69) =  81.629%  kept
      O T HG3   MET   11 - QB    MET   11   2.51 +/- 0.11  42.082% * 22.8520% (0.31  10.0 10.00   3.31  43.10) =  18.365%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.40 +/- 0.49   0.459% *  0.6550% (0.88   1.0 10.00   0.02   0.73) =   0.006%
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 0.93   0.013% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.95 +/- 1.59   0.006% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11  10.62 +/- 1.01   0.010% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.05 +/- 1.50   0.008% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.81 +/- 1.60   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.36 +/- 1.23   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.96 +/- 1.13   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.43 +/- 1.02   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.91 +/- 1.21   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.50 +/- 1.19   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.11 +/- 1.43   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.02 +/- 1.93   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  28.24 +/- 1.90   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.25 +/- 1.52   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.49 +/- 1.42   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.999, support = 1.97, residual support = 10.4:
    * O T QG    GLU-  15 - HA    GLU-  15   2.45 +/- 0.58  96.151% * 49.8424% (1.00  10.0 10.00   1.94  10.74) =  96.451%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.22 +/- 0.51   3.666% * 48.1014% (0.97   1.0 10.00   2.74   0.73) =   3.549%  kept
        T QB    MET   11 - HA    GLU-  15  12.23 +/- 0.68   0.012% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  15   9.56 +/- 0.90   0.085% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  12.24 +/- 1.39   0.008% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  16.50 +/- 1.61   0.004% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.38 +/- 0.45   0.035% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.53 +/- 0.50   0.007% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.55 +/- 0.67   0.005% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  18.75 +/- 1.99   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  15.73 +/- 1.83   0.002% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.74 +/- 2.04   0.000% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.75 +/- 1.08   0.004% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  22.09 +/- 2.80   0.000% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.72 +/- 1.20   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.77 +/- 0.78   0.003% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.15 +/- 0.67   0.002% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.98 +/- 0.30   0.009% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  17.47 +/- 0.81   0.001% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  19.36 +/- 0.95   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  25.37 +/- 1.50   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  26.92 +/- 1.33   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.81 +/- 1.38   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.97 +/- 0.80   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.51 +/- 0.90   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  28.58 +/- 2.16   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  29.09 +/- 1.29   0.000% *  0.0013% (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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 10.7:
    * O T QB    GLU-  15 - HA    GLU-  15   2.44 +/- 0.16  95.045% * 95.2027% (1.00  10.0 10.00   3.00  10.74) =  99.981%  kept
        T HB3   PRO   68 - HA    GLU-  15   7.07 +/- 2.39   1.387% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   GLN   17 - HA    GLU-  15   6.06 +/- 0.48   0.617% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HA    ASN   35   5.46 +/- 1.31   2.273% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15   8.59 +/- 1.95   0.148% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.52 +/- 0.71   0.332% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   8.13 +/- 0.68   0.084% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  12.89 +/- 0.84   0.005% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.73 +/- 0.77   0.006% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.33 +/- 0.53   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  11.32 +/- 1.66   0.018% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  11.04 +/- 0.43   0.012% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.00 +/- 1.12   0.008% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  12.65 +/- 0.87   0.006% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.79 +/- 1.20   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.04 +/- 0.55   0.012% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  13.64 +/- 0.97   0.004% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.28 +/- 0.76   0.019% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.45 +/- 1.17   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.56 +/- 0.87   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.34 +/- 0.56   0.003% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  21.30 +/- 0.43   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  16.46 +/- 0.93   0.001% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.12 +/- 1.04   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.75 +/- 1.80   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.81 +/- 1.24   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.31 +/- 1.24   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.69 +/- 0.40   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.34 +/- 1.53   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.55 +/- 1.15   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.93 +/- 1.22   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.95 +/- 1.96   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  21.00 +/- 0.84   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.76 +/- 1.47   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  28.88 +/- 1.77   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.28 +/- 1.39   0.000% *  0.0031% (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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.999, support = 1.94, residual support = 10.7:
    * O T HA    GLU-  15 - QG    GLU-  15   2.45 +/- 0.58  89.964% * 86.1899% (1.00  10.0 10.00   1.94  10.74) =  99.374%  kept
          HA    SER   13 - QG    GLU-  14   4.49 +/- 0.55   4.658% *  9.9605% (0.88   1.0  1.00   2.63   6.72) =   0.595%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.22 +/- 0.51   3.057% *  0.7583% (0.88   1.0 10.00   0.02   0.73) =   0.030%
          HA    SER   13 - QG    GLU-  15   6.36 +/- 0.95   1.466% *  0.0862% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG    GLU-  15   6.94 +/- 0.42   0.305% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   7.94 +/- 0.97   0.172% *  0.0429% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.72 +/- 0.48   0.319% *  0.0208% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  12.24 +/- 1.39   0.007% *  0.8153% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  16.50 +/- 1.61   0.003% *  0.7174% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.23 +/- 0.68   0.010% *  0.2078% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  11.87 +/- 2.03   0.012% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  15.73 +/- 1.83   0.001% *  0.1919% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  15.11 +/- 2.13   0.006% *  0.0429% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  18.75 +/- 1.99   0.001% *  0.1688% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  15.76 +/- 0.96   0.003% *  0.0860% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  14.93 +/- 1.95   0.003% *  0.0294% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.71 +/- 1.18   0.001% *  0.0757% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.74 +/- 2.04   0.000% *  0.1966% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  14.24 +/- 1.52   0.003% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.52 +/- 1.07   0.001% *  0.0558% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.06 +/- 1.35   0.001% *  0.0491% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.29 +/- 0.97   0.002% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.28 +/- 2.71   0.002% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  22.09 +/- 2.80   0.000% *  0.0463% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.29 +/- 0.93   0.001% *  0.0215% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.59 +/- 1.61   0.001% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.22 +/- 1.78   0.000% *  0.0259% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.40 +/- 1.15   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.64 +/- 1.32   0.000% *  0.0207% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.46 +/- 2.57   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.61 +/- 1.41   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.64 +/- 2.25   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.54 +/- 1.15   0.000% *  0.0052% (0.06   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 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   2.55 +/- 0.13  99.415% * 97.7872% (1.00  10.0 10.00   4.00  84.57) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.84 +/- 0.16   0.288% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17   9.11 +/- 2.33   0.151% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   8.02 +/- 0.41   0.112% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.81 +/- 1.38   0.024% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  14.30 +/- 0.58   0.003% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  14.64 +/- 0.66   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.44 +/- 0.40   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.08 +/- 1.14   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.72 +/- 1.01   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.81 +/- 1.73   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.13 +/- 0.93   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.6:
    * O T QG    GLN   17 - HA    GLN   17   2.87 +/- 0.46  99.850% * 98.5118% (0.76  10.0 10.00   4.31  84.57) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   9.31 +/- 0.78   0.136% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  16.72 +/- 0.76   0.004% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  15.52 +/- 0.99   0.006% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.83 +/- 1.03   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.03 +/- 0.25   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  19.22 +/- 1.13   0.002% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.202, support = 3.55, residual support = 51.2:
    * O T HA    GLN   17 - HB2   GLN   17   2.55 +/- 0.13  42.824% * 57.9333% (0.24  10.0 10.00   4.00  84.57) =  54.833%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.44 +/- 0.16  55.484% * 36.8149% (0.15  10.0 10.00   3.00  10.74) =  45.146%  kept
        T HA    GLU-  15 - HB3   PRO   68   7.07 +/- 2.39   0.783% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.014%
        T HA    GLU-  15 - HB2   GLN   17   6.06 +/- 0.48   0.383% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   17 - HB3   PRO   68   9.11 +/- 2.33   0.063% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    GLU-  15   6.84 +/- 0.16   0.116% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.88 +/- 0.50   0.308% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.73 +/- 0.77   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  12.89 +/- 0.84   0.003% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  12.18 +/- 2.28   0.007% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  12.50 +/- 1.35   0.005% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.98 +/- 0.89   0.008% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  14.77 +/- 1.80   0.002% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.33 +/- 0.53   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.73 +/- 0.58   0.001% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  13.14 +/- 0.95   0.003% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.66 +/- 1.36   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  14.34 +/- 0.66   0.001% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.71 +/- 1.19   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.49 +/- 0.60   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  15.66 +/- 0.73   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.51 +/- 1.45   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  21.93 +/- 1.53   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.82 +/- 0.92   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 = 84.5:
    * O T QG    GLN   17 - HB2   GLN   17   2.41 +/- 0.13  97.986% * 84.9728% (0.18  10.0 10.00   4.31  84.57) =  99.971%  kept
        T QG    GLN   17 - QB    GLU-  15   5.19 +/- 0.79   1.499% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.017%
        T QG    GLN   17 - HB3   PRO   68   8.53 +/- 2.56   0.239% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.006%
        T HB    VAL   70 - HB3   PRO   68   7.00 +/- 0.32   0.175% *  2.3301% (0.51   1.0 10.00   0.02   1.07) =   0.005%
        T HB    VAL   70 - QB    GLU-  15   8.14 +/- 0.71   0.079% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  11.03 +/- 0.73   0.012% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  15.90 +/- 1.68   0.002% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  15.58 +/- 1.30   0.002% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.90 +/- 0.42   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  20.40 +/- 0.43   0.000% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  20.85 +/- 0.99   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.32 +/- 1.53   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  14.65 +/- 1.22   0.002% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.87 +/- 0.82   0.000% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  18.01 +/- 0.82   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.72 +/- 0.72   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.36 +/- 1.36   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.52 +/- 0.91   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  23.53 +/- 1.87   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.52 +/- 0.88   0.000% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.13 +/- 1.13   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 = 84.5:
    * O T HA    GLN   17 - QG    GLN   17   2.87 +/- 0.46  70.557% * 99.2429% (0.76  10.0 10.00   4.31  84.57) =  99.977%  kept
          HA    GLU-  15 - QG    GLN   17   4.13 +/- 1.01  28.470% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.023%
        T HA    GLN   17 - HB    VAL   70   9.31 +/- 0.78   0.069% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.55 +/- 1.12   0.174% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.76 +/- 0.37   0.430% *  0.0076% (0.06   1.0  1.00   0.02  35.25) =   0.000%
          HA    VAL   42 - HB    VAL   70   8.15 +/- 0.51   0.136% *  0.0123% (0.09   1.0  1.00   0.02   1.21) =   0.000%
          HA    GLU-  15 - HB    VAL   70   8.68 +/- 0.82   0.106% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.48 +/- 1.03   0.010% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.33 +/- 0.85   0.008% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.38 +/- 1.58   0.004% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.71 +/- 1.63   0.003% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.15 +/- 1.39   0.017% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.31 +/- 1.05   0.006% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.84 +/- 0.87   0.004% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.65 +/- 0.65   0.004% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.79 +/- 0.81   0.001% *  0.0201% (0.16   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 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   2.41 +/- 0.13  97.128% * 95.9708% (0.76  10.0 10.00   4.31  84.57) =  99.982%  kept
        T QB    GLU-  15 - QG    GLN   17   5.19 +/- 0.79   1.485% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   68 - QG    GLN   17   8.53 +/- 2.56   0.237% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HB    VAL   70   7.00 +/- 0.32   0.174% *  0.1574% (0.13   1.0 10.00   0.02   1.07) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   8.14 +/- 0.71   0.078% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   7.14 +/- 1.23   0.261% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.25 +/- 0.95   0.504% *  0.0096% (0.08   1.0  1.00   0.02   1.07) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.03 +/- 0.73   0.012% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.16 +/- 1.82   0.037% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.17 +/- 1.15   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   8.78 +/- 0.68   0.047% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  12.19 +/- 1.43   0.008% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  12.80 +/- 0.96   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.30 +/- 1.40   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.90 +/- 1.21   0.005% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.01 +/- 0.95   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.01 +/- 1.17   0.005% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.95 +/- 1.05   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.50 +/- 1.11   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.68 +/- 1.56   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.23 +/- 1.02   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.48 +/- 1.25   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  17.17 +/- 1.24   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.78 +/- 2.05   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 0.02 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 = 77.5:
    * O T HB    VAL   18 - HA    VAL   18   2.58 +/- 0.30  99.650% * 99.6862% (1.00  10.0 10.00   3.44  77.50) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.43 +/- 1.25   0.332% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  11.74 +/- 0.67   0.014% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.90 +/- 0.53   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.27 +/- 0.80   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.21 +/- 0.85   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.5:
    * O T QG1   VAL   18 - HA    VAL   18   2.59 +/- 0.20  98.954% * 98.7319% (1.00  10.0 10.00   4.00  77.50) =  99.994%  kept
        T QG1   VAL   70 - HA    VAL   18   7.55 +/- 1.39   0.521% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HA    VAL   18   7.41 +/- 1.10   0.376% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   8.18 +/- 0.88   0.137% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  12.76 +/- 1.44   0.009% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.44 +/- 0.68   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  16.68 +/- 0.78   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 76.6:
    * O T QG2   VAL   18 - HA    VAL   18   2.76 +/- 0.53  90.091% * 85.4562% (1.00  10.0 10.00   4.00  77.50) =  98.369%  kept
          QD1   ILE   19 - HA    VAL   18   5.29 +/- 0.98   9.645% * 13.2252% (0.73   1.0  1.00   4.26  22.60) =   1.630%  kept
        T QG1   VAL   41 - HA    VAL   18  10.32 +/- 0.59   0.055% *  0.6531% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.13 +/- 0.50   0.105% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.25 +/- 0.83   0.089% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.05 +/- 0.80   0.005% *  0.4838% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  14.15 +/- 0.93   0.009% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.5:
    * O T HA    VAL   18 - HB    VAL   18   2.58 +/- 0.30  99.970% * 99.3791% (1.00  10.0 10.00   3.44  77.50) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  10.88 +/- 1.08   0.018% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  14.71 +/- 1.52   0.006% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.90 +/- 0.70   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.63 +/- 1.33   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.75 +/- 1.06   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.45 +/- 2.02   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.10 +/- 1.47   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.42 +/- 1.09   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.63 +/- 1.53   0.000% *  0.0484% (0.49   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 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 = 77.5:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.02  99.865% * 99.5994% (1.00  10.0 10.00   3.44  77.50) = 100.000%  kept
          QG1   VAL   70 - HB    VAL   18   8.98 +/- 1.78   0.060% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   8.24 +/- 1.37   0.051% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.26 +/- 1.11   0.020% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  12.98 +/- 1.63   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.34 +/- 1.55   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  15.99 +/- 1.06   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 77.5:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.01  99.792% * 98.4101% (1.00  10.0 10.00   3.25  77.50) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   7.02 +/- 0.84   0.140% *  0.0715% (0.73   1.0  1.00   0.02  22.60) =   0.000%
          QG2   THR   46 - HB    VAL   18   7.83 +/- 0.78   0.048% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  11.71 +/- 1.04   0.004% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.56 +/- 0.91   0.014% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.02 +/- 1.11   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.53 +/- 1.39   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 = 77.5:
    * O T HA    VAL   18 - QG1   VAL   18   2.59 +/- 0.20  99.904% * 97.2871% (1.00  10.0 10.00   4.00  77.50) =  99.999%  kept
        T HA    VAL   70 - QG1   VAL   18   9.21 +/- 0.72   0.052% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.59 +/- 1.06   0.019% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.33 +/- 1.87   0.003% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.31 +/- 0.57   0.006% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.82 +/- 0.84   0.005% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.69 +/- 0.85   0.003% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.97 +/- 1.14   0.005% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.93 +/- 0.84   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.34 +/- 1.46   0.001% *  0.0474% (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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.5:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.02  99.936% * 99.6862% (1.00  10.0 10.00   3.44  77.50) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.22 +/- 1.26   0.054% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.27 +/- 0.75   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.79 +/- 0.66   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  12.95 +/- 0.60   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.88 +/- 0.95   0.001% *  0.0524% (0.53   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 = 77.5:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  99.060% * 98.4101% (1.00  10.0 10.00   4.00  77.50) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.19 +/- 0.56   0.609% *  0.0715% (0.73   1.0  1.00   0.02  22.60) =   0.000%
          QG2   THR   46 - QG1   VAL   18   5.89 +/- 0.65   0.230% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.09 +/- 0.76   0.015% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   6.88 +/- 0.62   0.081% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.20 +/- 0.88   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.50 +/- 1.04   0.004% *  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 = 77.5:
    * O T HA    VAL   18 - QG2   VAL   18   2.76 +/- 0.53  97.549% * 97.9277% (1.00  10.0 10.00   4.00  77.50) =  99.998%  kept
          HA    VAL   70 - QG1   VAL   41   6.07 +/- 0.45   1.339% *  0.0514% (0.52   1.0  1.00   0.02   2.74) =   0.001%
        T HA    VAL   18 - QG1   VAL   41  10.32 +/- 0.59   0.060% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.75 +/- 0.35   0.299% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   7.46 +/- 0.54   0.404% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.36 +/- 0.51   0.097% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.67 +/- 0.73   0.065% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  11.56 +/- 1.23   0.030% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.05 +/- 0.80   0.006% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.85 +/- 0.90   0.075% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.88 +/- 0.90   0.008% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.15 +/- 0.47   0.005% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.27 +/- 0.70   0.005% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.69 +/- 1.22   0.014% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.46 +/- 1.79   0.003% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.55 +/- 0.59   0.003% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.61 +/- 0.68   0.003% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  20.73 +/- 3.91   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  13.67 +/- 0.80   0.010% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.66 +/- 0.59   0.007% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.27 +/- 1.48   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.22 +/- 0.90   0.008% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  20.21 +/- 0.40   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.84 +/- 0.91   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  22.16 +/- 2.23   0.001% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.91 +/- 1.05   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  25.62 +/- 4.45   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.48 +/- 1.10   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.21 +/- 0.87   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  25.18 +/- 1.63   0.000% *  0.0073% (0.07   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 77.5:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.01  99.253% * 98.5012% (1.00  10.0 10.00   3.25  77.50) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.12 +/- 0.10   0.489% *  0.0257% (0.26   1.0  1.00   0.02  20.11) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.68 +/- 1.12   0.064% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  11.71 +/- 1.04   0.004% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.62 +/- 0.73   0.012% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.70 +/- 0.96   0.158% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  11.51 +/- 0.58   0.004% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.89 +/- 0.69   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.84 +/- 0.95   0.004% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.39 +/- 0.91   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.02 +/- 1.11   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.34 +/- 1.47   0.006% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.50 +/- 0.59   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.51 +/- 0.67   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.72 +/- 0.54   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.91 +/- 0.48   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.61 +/- 1.05   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.00 +/- 0.82   0.000% *  0.0136% (0.14   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.986, support = 4.02, residual support = 79.6:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  80.306% * 90.9635% (1.00  10.0 10.00   4.00  77.50) =  98.505%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.72 +/- 0.26  16.265% *  6.8036% (0.07  10.0 10.00   5.50 220.19) =   1.492%  kept
          QD1   LEU   71 - QG1   VAL   41   4.67 +/- 1.09   3.058% *  0.0581% (0.64   1.0  1.00   0.02   3.04) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   9.09 +/- 0.76   0.011% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.30 +/- 0.58   0.112% *  0.0681% (0.75   1.0  1.00   0.02   2.74) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.14 +/- 1.09   0.076% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.94 +/- 0.76   0.013% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.96 +/- 1.20   0.048% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.13 +/- 0.97   0.033% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.86 +/- 1.32   0.043% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.03 +/- 1.25   0.004% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.41 +/- 0.70   0.005% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.71 +/- 0.79   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.20 +/- 0.88   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.87 +/- 1.07   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.51 +/- 0.99   0.009% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.46 +/- 0.89   0.005% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.18 +/- 1.04   0.004% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.26 +/- 0.93   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.01 +/- 0.40   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.08 +/- 0.42   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 174.2:
    * O T HB    ILE   19 - HA    ILE   19   2.97 +/- 0.06  97.633% * 98.7896% (1.00  10.0 10.00   5.75 174.22) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.63 +/- 0.33   2.186% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.95 +/- 0.41   0.137% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.28 +/- 0.24   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.00 +/- 0.96   0.010% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  12.89 +/- 1.91   0.023% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.69 +/- 1.12   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.68 +/- 0.52   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.02 +/- 0.82   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.86 +/- 1.70   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 = 174.2:
    * O T HG12  ILE   19 - HA    ILE   19   2.89 +/- 0.78  95.927% * 98.1529% (1.00  10.0 10.00   6.31 174.22) =  99.994%  kept
        T HG    LEU   73 - HA    ILE   19   7.86 +/- 1.00   1.175% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - HA    ILE   19   6.32 +/- 0.66   2.674% *  0.0556% (0.57   1.0  1.00   0.02   7.69) =   0.002%
          QB    ALA   61 - HA    ILE   19  10.71 +/- 0.60   0.089% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.28 +/- 1.55   0.091% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  17.43 +/- 2.81   0.004% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.21 +/- 0.68   0.015% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.10 +/- 0.69   0.015% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  16.86 +/- 1.95   0.004% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.73 +/- 1.61   0.003% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.56 +/- 2.16   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.02 +/- 0.77   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 174.2:
    * O T HG13  ILE   19 - HA    ILE   19   2.89 +/- 0.52  99.067% * 98.2804% (1.00  10.0 10.00   5.75 174.22) =  99.995%  kept
        T HG    LEU   71 - HA    ILE   19   7.70 +/- 0.94   0.501% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HA    ILE   19   8.40 +/- 0.72   0.211% *  0.0907% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          QG2   THR   39 - HA    ILE   19   9.71 +/- 0.98   0.122% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.35 +/- 1.29   0.012% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.37 +/- 0.45   0.077% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.06 +/- 1.00   0.004% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  17.90 +/- 1.23   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  18.84 +/- 1.03   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  21.98 +/- 3.20   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.37 +/- 1.95   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 0.03 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.87, residual support = 172.4:
    *   T QD1   ILE   19 - HA    ILE   19   3.04 +/- 0.29  93.444% * 84.5995% (1.00 10.00   4.87 174.22) =  98.799%  kept
          QG2   VAL   18 - HA    ILE   19   4.93 +/- 0.40   6.338% * 15.1641% (0.73  1.00   4.94  22.60) =   1.201%  kept
          QG2   THR   46 - HA    ILE   19  10.63 +/- 0.82   0.059% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.95 +/- 0.51   0.087% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  10.83 +/- 0.57   0.058% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  16.97 +/- 0.79   0.004% *  0.0816% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.11 +/- 0.72   0.010% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.19 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 174.2:
    * O T HA    ILE   19 - HB    ILE   19   2.97 +/- 0.06  99.922% * 98.6066% (1.00  10.0 10.00   5.75 174.22) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.25 +/- 0.60   0.013% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19  10.31 +/- 0.55   0.061% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  22.93 +/- 2.44   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.01 +/- 1.12   0.002% *  0.0884% (0.90   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 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 174.2:
    * O T HG12  ILE   19 - HB    ILE   19   2.52 +/- 0.29  96.946% * 97.5273% (1.00  10.0 10.00   5.31 174.22) =  99.990%  kept
        T HG    LEU   73 - HB    ILE   19   5.51 +/- 1.12   2.695% *  0.3327% (0.34   1.0 10.00   0.02   4.00) =   0.009%
        T HB3   LEU   67 - HB    ILE   19   9.83 +/- 1.53   0.052% *  0.7082% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    ILE   19   6.98 +/- 0.75   0.266% *  0.0552% (0.57   1.0  1.00   0.02   7.69) =   0.000%
        T HG    LEU   80 - HB    ILE   19  17.59 +/- 3.51   0.002% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  11.23 +/- 0.62   0.015% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.56 +/- 0.73   0.014% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.79 +/- 0.78   0.004% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  17.10 +/- 2.47   0.002% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.13 +/- 1.46   0.001% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.58 +/- 2.37   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.17 +/- 0.84   0.001% *  0.0243% (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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 174.2:
    * O T HG13  ILE   19 - HB    ILE   19   2.58 +/- 0.33  96.970% * 97.6364% (1.00  10.0 10.00   5.00 174.22) =  99.975%  kept
        T HG    LEU   71 - HB    ILE   19   5.33 +/- 0.92   2.565% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.024%
        T HG2   LYS+  74 - HB    ILE   19   8.71 +/- 0.92   0.136% *  0.9013% (0.92   1.0 10.00   0.02   7.69) =   0.001%
          QG2   THR   39 - HB    ILE   19   7.67 +/- 1.07   0.194% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.08 +/- 0.45   0.122% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  15.24 +/- 1.18   0.003% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.00 +/- 1.25   0.005% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  16.73 +/- 0.99   0.002% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  16.37 +/- 0.82   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.14 +/- 2.16   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  21.49 +/- 3.17   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 = 4.13, residual support = 174.2:
    * O T QD1   ILE   19 - HB    ILE   19   2.90 +/- 0.19  97.389% * 99.6493% (1.00  10.0 10.00   4.13 174.22) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.66 +/- 0.39   2.104% *  0.0724% (0.73   1.0  1.00   0.02  22.60) =   0.002%
          QG1   VAL   43 - HB    ILE   19   8.02 +/- 0.65   0.249% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.43 +/- 0.54   0.184% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.83 +/- 0.81   0.044% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  14.74 +/- 0.78   0.006% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.86 +/- 0.69   0.023% *  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 = 174.2:
    * O T HA    ILE   19 - HG12  ILE   19   2.89 +/- 0.78  97.009% * 98.8520% (1.00  10.0 10.00   6.31 174.22) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   7.86 +/- 1.00   1.193% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.004%
          HA    SER   82 - HG    LEU   80   7.03 +/- 0.47   1.133% *  0.0152% (0.15   1.0  1.00   0.02   0.32) =   0.000%
          HA    GLU-  25 - HG    LEU   80  12.47 +/- 5.58   0.133% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  10.57 +/- 0.83   0.132% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.54 +/- 1.02   0.295% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  17.43 +/- 2.81   0.004% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  15.00 +/- 0.54   0.012% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  11.74 +/- 0.46   0.044% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  14.19 +/- 4.38   0.029% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.12 +/- 1.35   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.17 +/- 1.29   0.007% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  18.06 +/- 2.13   0.004% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  20.17 +/- 2.87   0.002% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  24.72 +/- 2.54   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.31, residual support = 174.2:
    * O T HB    ILE   19 - HG12  ILE   19   2.52 +/- 0.29  96.249% * 98.3572% (1.00  10.0 10.00   5.31 174.22) =  99.990%  kept
        T HB    ILE   19 - HG    LEU   73   5.51 +/- 1.12   2.680% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.009%
          HB2   GLN   17 - HG12  ILE   19   6.66 +/- 0.83   0.598% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.71 +/- 0.70   0.166% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80  11.04 +/- 4.90   0.236% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  17.59 +/- 3.51   0.002% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  12.09 +/- 1.48   0.009% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  11.26 +/- 2.03   0.019% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  11.46 +/- 1.08   0.012% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  12.11 +/- 0.71   0.010% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  15.30 +/- 0.43   0.002% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  13.43 +/- 0.69   0.005% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.71 +/- 0.99   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.38 +/- 1.61   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.39 +/- 1.57   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.25 +/- 0.53   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.67 +/- 0.89   0.002% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  23.18 +/- 4.27   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.56 +/- 1.35   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  20.51 +/- 2.04   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.95 +/- 1.27   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  20.57 +/- 2.08   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.70 +/- 0.86   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.84 +/- 2.03   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  23.92 +/- 2.46   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  24.04 +/- 4.22   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  25.68 +/- 4.68   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  29.04 +/- 3.26   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  24.73 +/- 1.77   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  28.40 +/- 2.84   0.000% *  0.0090% (0.09   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 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 = 5.31, residual support = 174.2:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.563% * 96.9096% (1.00  10.0 10.00   5.31 174.22) =  99.997%  kept
        T HG    LEU   71 - HG12  ILE   19   5.52 +/- 1.11   0.276% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HG    LEU   73   7.31 +/- 1.30   0.045% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   7.86 +/- 1.13   0.021% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   7.65 +/- 1.16   0.022% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.02 +/- 1.01   0.004% *  0.0895% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.29 +/- 0.69   0.010% *  0.0292% (0.30   1.0  1.00   0.02  43.47) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.43 +/- 1.11   0.011% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.06 +/- 0.82   0.030% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.81 +/- 0.84   0.008% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  13.11 +/- 3.16   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.36 +/- 2.12   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.73 +/- 1.65   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  19.30 +/- 3.09   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  15.67 +/- 1.87   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  21.41 +/- 4.33   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.65 +/- 1.18   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  13.92 +/- 1.58   0.001% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  12.38 +/- 1.53   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  14.88 +/- 1.21   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.46 +/- 1.71   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.11 +/- 1.06   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  16.01 +/- 2.37   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  16.00 +/- 0.84   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  20.63 +/- 4.09   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  18.40 +/- 4.61   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.78 +/- 2.91   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  23.38 +/- 3.29   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  28.00 +/- 5.24   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  20.64 +/- 2.30   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.47 +/- 2.38   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.74 +/- 4.98   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  29.90 +/- 5.51   0.000% *  0.0225% (0.23   1.0  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 = 4.23, residual support = 174.2:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  80.432% * 98.4260% (1.00  10.0 10.00   4.23 174.22) =  99.995%  kept
          QG1   VAL   43 - HG    LEU   73   3.56 +/- 1.30  18.845% *  0.0156% (0.16   1.0  1.00   0.02   8.34) =   0.004%
        T QD1   ILE   19 - HG    LEU   73   6.90 +/- 0.97   0.162% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   5.99 +/- 0.34   0.193% *  0.0715% (0.73   1.0  1.00   0.02  22.60) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.35 +/- 0.59   0.148% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.46 +/- 0.59   0.055% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80  12.90 +/- 5.01   0.044% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.31 +/- 1.34   0.025% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.62 +/- 1.15   0.015% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  10.94 +/- 2.25   0.011% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.08 +/- 1.09   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  16.22 +/- 2.95   0.001% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.13 +/- 1.50   0.047% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.65 +/- 0.63   0.011% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.92 +/- 0.93   0.003% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  17.68 +/- 5.10   0.001% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.33 +/- 1.03   0.002% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.43 +/- 1.64   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  14.25 +/- 2.00   0.002% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  18.13 +/- 4.51   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  23.23 +/- 5.01   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 174.2:
    * O T HA    ILE   19 - HG13  ILE   19   2.89 +/- 0.52  99.407% * 98.6722% (1.00  10.0 10.00   5.75 174.22) =  99.999%  kept
        T HA    ILE   19 - HG    LEU   71   7.70 +/- 0.94   0.504% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HG13  ILE   19  19.36 +/- 1.17   0.002% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  11.87 +/- 0.56   0.037% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.24 +/- 0.35   0.007% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.46 +/- 1.47   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.94 +/- 1.01   0.033% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.75 +/- 1.30   0.008% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  24.78 +/- 2.25   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  26.53 +/- 3.27   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 174.2:
    * O T HB    ILE   19 - HG13  ILE   19   2.58 +/- 0.33  96.127% * 98.7569% (1.00  10.0 10.00   5.00 174.22) =  99.996%  kept
        T HB    ILE   19 - HG    LEU   71   5.33 +/- 0.92   2.531% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - HG13  ILE   19   6.49 +/- 0.93   0.874% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.45 +/- 0.57   0.237% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  11.85 +/- 0.99   0.017% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  10.97 +/- 1.74   0.050% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   9.10 +/- 1.27   0.091% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.32 +/- 1.19   0.021% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.54 +/- 0.28   0.002% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.28 +/- 1.21   0.020% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.04 +/- 1.86   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.49 +/- 1.20   0.023% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.58 +/- 1.28   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.93 +/- 1.26   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.36 +/- 0.79   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.15 +/- 1.05   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  25.07 +/- 1.88   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.05 +/- 1.31   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.52 +/- 1.14   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.67 +/- 0.97   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 = 5.31, residual support = 174.2:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.619% * 97.7565% (1.00  10.0 10.00   5.31 174.22) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   5.52 +/- 1.11   0.276% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.86 +/- 1.13   0.021% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   73 - HG    LEU   71   7.31 +/- 1.30   0.045% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.47 +/- 1.00   0.011% *  0.0553% (0.57   1.0  1.00   0.02   7.69) =   0.000%
          HB3   LEU   67 - HG13  ILE   19   9.49 +/- 1.58   0.007% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.32 +/- 0.89   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.85 +/- 1.11   0.009% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  19.30 +/- 3.09   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.37 +/- 0.77   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.57 +/- 1.14   0.006% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  12.94 +/- 0.94   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.84 +/- 1.02   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  21.41 +/- 4.33   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  18.87 +/- 2.10   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.37 +/- 1.58   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.93 +/- 0.76   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.18 +/- 0.97   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.40 +/- 2.34   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.25 +/- 1.07   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.49 +/- 2.45   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  15.76 +/- 1.28   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.16 +/- 1.44   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  21.15 +/- 3.22   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 174.2:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  91.452% * 99.4572% (1.00  10.0 10.00   4.13 174.22) =  99.988%  kept
        T QD1   ILE   19 - HG    LEU   71   4.34 +/- 1.12   7.378% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   18 - HG13  ILE   19   6.02 +/- 0.57   0.221% *  0.0722% (0.73   1.0  1.00   0.02  22.60) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.70 +/- 0.87   0.852% *  0.0044% (0.04   1.0  1.00   0.02   3.04) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.88 +/- 0.63   0.010% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.42 +/- 0.82   0.015% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  12.11 +/- 0.85   0.003% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.67 +/- 1.33   0.038% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.24 +/- 0.83   0.017% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.52 +/- 1.01   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.33 +/- 0.83   0.003% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.28 +/- 0.79   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.56 +/- 0.86   0.008% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.33 +/- 0.94   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 174.2:
    *   T HA    ILE   19 - QD1   ILE   19   3.04 +/- 0.29  99.745% * 99.7561% (1.00 10.00   4.87 174.22) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.92 +/- 0.99   0.217% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.99 +/- 0.76   0.033% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.28 +/- 1.38   0.003% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  20.75 +/- 2.28   0.001% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 174.2:
    * O T HB    ILE   19 - QD1   ILE   19   2.90 +/- 0.19  98.027% * 99.4654% (1.00  10.0 10.00   4.13 174.22) =  99.999%  kept
          QB    GLU-  15 - QD1   ILE   19   6.62 +/- 0.79   0.918% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE   19   6.54 +/- 0.59   0.884% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  10.75 +/- 1.50   0.049% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  10.10 +/- 1.93   0.097% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE   19  12.26 +/- 0.72   0.020% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.01 +/- 1.42   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.40 +/- 1.04   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.91 +/- 1.15   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.06 +/- 2.08   0.001% *  0.0484% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 174.2:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.698% * 97.8860% (1.00  10.0 10.00   4.23 174.22) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   6.90 +/- 0.97   0.176% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.001%
          HB3   LEU   67 - QD1   ILE   19   9.00 +/- 1.75   0.046% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   19   7.77 +/- 0.70   0.057% *  0.0554% (0.57   1.0  1.00   0.02   7.69) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  10.99 +/- 0.75   0.006% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  16.22 +/- 2.95   0.001% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.65 +/- 1.02   0.010% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.35 +/- 1.23   0.004% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  15.97 +/- 2.10   0.001% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.14 +/- 1.25   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.89 +/- 2.38   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.01 +/- 0.82   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.13, residual support = 174.1:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  92.296% * 98.6077% (1.00  10.0 10.00   4.13 174.22) =  99.928%  kept
        T HG    LEU   71 - QD1   ILE   19   4.34 +/- 1.12   7.394% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.072%
          QG2   THR   39 - QD1   ILE   19   6.29 +/- 0.86   0.190% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.99 +/- 0.64   0.094% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.39 +/- 0.95   0.020% *  0.0910% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  13.42 +/- 1.51   0.002% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.32 +/- 1.24   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.58 +/- 0.88   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.86 +/- 0.89   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  20.03 +/- 2.95   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.53 +/- 2.31   0.000% *  0.0195% (0.20   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 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   2.11 +/- 0.00  99.998% * 99.6998% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.85 +/- 0.66   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.42 +/- 0.61   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.51 +/- 1.32   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.76 +/- 1.39   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.60 +/- 0.65   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  24.19 +/- 1.63   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   2.11 +/- 0.00  99.983% * 99.9427% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   8.98 +/- 0.30   0.017% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.77 +/- 0.65   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 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 = 2.5, residual support = 28.4:
    * O T HB2   CYS   21 - HA    CYS   21   2.89 +/- 0.23  99.990% * 99.9059% (1.00  10.0 10.00   2.50  28.37) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.87 +/- 0.81   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.96 +/- 1.65   0.000% *  0.0566% (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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.59, residual support = 28.4:
    * O T HB3   CYS   21 - HA    CYS   21   2.59 +/- 0.16  99.998% * 99.9348% (0.69  10.0 10.00   2.59  28.37) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.24 +/- 1.07   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 = 2.35, residual support = 28.4:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.35  28.37) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.59 +/- 1.22   0.001% *  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 = 2.35, residual support = 28.4:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.35  28.37) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.46 +/- 0.86   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.73 +/- 1.64   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.76 +/- 0.30  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.49) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.33 +/- 0.57   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  21.74 +/- 1.78   0.001% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.70 +/- 0.30 100.000% * 99.9165% (0.95  10.0 10.00   3.46  34.49) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  22.52 +/- 1.68   0.000% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.76 +/- 0.30  99.986% * 99.7956% (0.76  10.0 10.00   2.33  34.49) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.04 +/- 0.84   0.013% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  20.39 +/- 0.95   0.001% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.49) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  25.12 +/- 1.58   0.000% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.70 +/- 0.30  99.989% * 99.7956% (0.95  10.0 10.00   3.46  34.49) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.12 +/- 0.67   0.010% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  20.54 +/- 0.72   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 = 34.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.49) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.34 +/- 0.55   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  21.86 +/- 2.08   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 18.8:
    * O T QG2   THR   23 - HA    THR   23   2.96 +/- 0.22  99.677% * 99.3383% (0.80  10.0 10.00   3.25  18.76) = 100.000%  kept
        T QB    ALA   91 - HA    THR   23  11.63 +/- 1.75   0.046% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    THR   23   8.37 +/- 0.69   0.237% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  14.61 +/- 1.29   0.009% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  12.49 +/- 0.40   0.019% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  14.07 +/- 1.28   0.011% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.99 +/- 1.00   0.001% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.442, support = 3.25, residual support = 18.8:
      O   HB    THR   23 - QG2   THR   23   2.14 +/- 0.00  85.695% * 25.6645% (0.28  10.0  1.00   3.25  18.76) =  68.702%  kept
    * O T HA    THR   23 - QG2   THR   23   2.96 +/- 0.22  13.555% * 73.9129% (0.80  10.0 10.00   3.25  18.76) =  31.297%  kept
          HA    LEU   80 - QG2   THR   23   7.83 +/- 3.39   0.576% *  0.0379% (0.41   1.0  1.00   0.02   1.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91   8.37 +/- 2.52   0.148% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.39 +/- 1.52   0.009% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  11.63 +/- 1.75   0.005% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  14.61 +/- 1.29   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.52 +/- 1.51   0.005% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  12.25 +/- 2.15   0.005% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.18 +/- 1.24   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.65 +/- 1.09   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  21.63 +/- 2.91   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 = 3.42, residual support = 62.3:
    * O T QG1   VAL   24 - HA    VAL   24   2.93 +/- 0.42  99.905% * 99.7332% (1.00  10.0 10.00   3.42  62.34) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.91 +/- 0.38   0.087% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  15.71 +/- 0.85   0.006% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  20.50 +/- 1.42   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  25.96 +/- 1.68   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.21 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 62.3:
    * O T HA    VAL   24 - QG1   VAL   24   2.93 +/- 0.42  99.990% * 99.8757% (1.00  10.0 10.00   3.42  62.34) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  16.34 +/- 0.85   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.18 +/- 1.29   0.004% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  19.63 +/- 1.51   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.95 +/- 0.04  99.970% * 99.2829% (1.00  10.0 10.00   5.24 127.36) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  15.36 +/- 3.43   0.010% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  14.08 +/- 0.99   0.010% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.37 +/- 1.11   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  19.98 +/- 0.88   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  20.92 +/- 4.51   0.004% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.74 +/- 0.67   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.17 +/- 1.42   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.49 +/- 1.87   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  29.13 +/- 2.86   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  33.95 +/- 4.07   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  32.68 +/- 4.22   0.000% *  0.0056% (0.06   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.77 +/- 0.10  99.902% * 98.0202% (1.00  10.0 10.00   5.00 127.36) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.25 +/- 0.60   0.009% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  14.36 +/- 3.69   0.015% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   9.66 +/- 0.89   0.070% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  22.93 +/- 2.44   0.000% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.75 +/- 0.44   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  20.71 +/- 0.48   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  24.00 +/- 1.52   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  25.27 +/- 0.98   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.15 +/- 1.41   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  27.73 +/- 1.69   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  24.73 +/- 3.54   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  27.10 +/- 4.16   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.96 +/- 1.62   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  23.05 +/- 3.75   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  28.94 +/- 1.86   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  34.22 +/- 2.86   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  33.64 +/- 2.04   0.000% *  0.0193% (0.20   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.22 +/- 0.39  99.950% * 99.4877% (1.00  10.0 10.00   4.31 127.36) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  15.37 +/- 4.09   0.003% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.71 +/- 5.04   0.022% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82  10.29 +/- 0.47   0.023% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  18.46 +/- 0.80   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  22.55 +/- 3.47   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  30.82 +/- 1.06   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  29.48 +/- 1.00   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  31.92 +/- 3.06   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  31.06 +/- 3.13   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.37 +/- 0.20  99.689% * 99.2510% (1.00  10.0 10.00   3.74 127.36) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  14.78 +/- 3.71   0.040% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.25 +/- 0.82   0.160% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  13.11 +/- 1.99   0.045% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.27 +/- 3.67   0.051% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.48 +/- 1.07   0.006% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.07 +/- 2.11   0.004% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  23.91 +/- 1.66   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  21.32 +/- 1.74   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  23.59 +/- 1.34   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  24.41 +/- 3.69   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.73 +/- 0.72   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  31.99 +/- 4.50   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.81 +/- 1.70   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 0.24 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.95 +/- 0.04  99.979% * 99.2383% (1.00  10.0 10.00   5.24 127.36) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  15.36 +/- 3.43   0.010% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.69 +/- 0.19   0.010% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  22.66 +/- 0.95   0.001% *  0.0682% (0.69   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 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 = 5.24, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.995% * 97.2368% (1.00  10.0 10.00   5.24 127.36) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.80 +/- 1.07   0.004% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.90 +/- 0.42   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.08 +/- 0.55   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  20.40 +/- 0.43   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.32 +/- 1.53   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.28 +/- 1.54   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  25.70 +/- 0.87   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  28.93 +/- 1.82   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 127.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.81 +/- 0.22  99.986% * 99.8559% (1.00  10.0 10.00   4.55 127.36) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.34 +/- 5.31   0.013% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  19.64 +/- 0.92   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  31.69 +/- 1.21   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  30.36 +/- 1.18   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.61 +/- 0.21  99.980% * 99.6757% (1.00  10.0 10.00   3.97 127.36) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.84 +/- 1.61   0.018% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  18.40 +/- 1.31   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.18 +/- 1.67   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  21.96 +/- 1.68   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  24.86 +/- 1.42   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  27.89 +/- 0.82   0.000% *  0.0277% (0.28   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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.77 +/- 0.10  99.979% * 98.4268% (1.00  10.0 10.00   5.00 127.36) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  14.36 +/- 3.69   0.015% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.28 +/- 0.24   0.006% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  22.05 +/- 1.15   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.24 127.36) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.17 +/- 1.15   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.01 +/- 0.95   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  15.45 +/- 1.33   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.78 +/- 0.67   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.29 +/- 1.40   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 = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.87 +/- 0.13  99.932% * 99.8559% (1.00  10.0 10.00   4.44 127.36) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  16.19 +/- 4.94   0.067% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  19.21 +/- 1.12   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  31.26 +/- 1.35   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  29.96 +/- 1.25   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 = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.45 +/- 0.20  99.981% * 99.2075% (1.00  10.0 10.00   3.87 127.36) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.26 +/- 1.97   0.018% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  24.27 +/- 1.60   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  19.31 +/- 1.07   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  23.34 +/- 1.84   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  20.96 +/- 2.28   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  27.66 +/- 0.87   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.22 +/- 0.39  99.994% * 99.2383% (1.00  10.0 10.00   4.31 127.36) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  15.37 +/- 4.09   0.003% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.87 +/- 0.39   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  23.83 +/- 0.94   0.000% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.22  99.994% * 99.7000% (1.00  10.0 10.00   4.55 127.36) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  15.98 +/- 1.09   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.67 +/- 1.16   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  21.92 +/- 0.84   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.41 +/- 0.70   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.99 +/- 1.37   0.001% *  0.0175% (0.18   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.87 +/- 0.13  99.956% * 99.4104% (1.00  10.0 10.00   4.44 127.36) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  11.14 +/- 0.98   0.037% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.92 +/- 0.57   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.17 +/- 0.51   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  22.11 +/- 0.44   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  25.53 +/- 1.64   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.13 +/- 0.94   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.95 +/- 1.45   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.36 +/- 1.89   0.000% *  0.0892% (0.90   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 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 = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 127.36) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  13.49 +/- 1.69   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.73 +/- 1.36   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  22.34 +/- 1.95   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  25.02 +/- 1.49   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.13 +/- 1.44   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.40 +/- 1.01   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 = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.37 +/- 0.20  99.951% * 98.4268% (1.00  10.0 10.00   3.74 127.36) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  14.78 +/- 3.71   0.040% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.16 +/- 0.31   0.009% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  23.95 +/- 0.92   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 0.17 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.61 +/- 0.21  99.997% * 99.7000% (1.00  10.0 10.00   3.97 127.36) = 100.000%  kept
          HB2   MET   96 - HG3   GLU-  25  16.96 +/- 1.37   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   GLU-  25  19.88 +/- 1.19   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  22.77 +/- 0.93   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.67 +/- 0.57   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.30 +/- 1.40   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.14 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.45 +/- 0.20  99.987% * 98.6730% (1.00  10.0 10.00   3.87 127.36) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.94 +/- 1.04   0.010% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.46 +/- 0.55   0.002% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  26.16 +/- 1.87   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.35 +/- 0.42   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  22.56 +/- 0.38   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.63 +/- 1.59   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  27.93 +/- 0.96   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  29.92 +/- 2.18   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.998% * 99.8559% (1.00  10.0 10.00   3.31 127.36) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  16.93 +/- 5.27   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  21.03 +/- 1.21   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  33.21 +/- 1.46   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  31.90 +/- 1.43   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 = 3.21, residual support = 36.0:
    * O T HB    THR   26 - HA    THR   26   3.02 +/- 0.02  99.999% * 99.8279% (1.00  10.0 10.00   3.21  35.99) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.90 +/- 0.65   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.08 +/- 0.77   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 0.62 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.21, residual support = 36.0:
    * O T QG2   THR   26 - HA    THR   26   2.68 +/- 0.08  99.986% * 99.3101% (1.00  10.0 10.00   3.21  35.99) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.24 +/- 0.41   0.011% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.57 +/- 0.81   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.19 +/- 1.82   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.12 +/- 0.98   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.86 +/- 1.98   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.24 +/- 1.22   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.27 +/- 1.36   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.36 +/- 0.74   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.51 +/- 1.49   0.000% *  0.0134% (0.14   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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.21, residual support = 36.0:
    * O T HA    THR   26 - HB    THR   26   3.02 +/- 0.02  99.576% * 99.6617% (1.00  10.0 10.00   3.21  35.99) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.93 +/- 0.07   0.303% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.47 +/- 0.26   0.106% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.03 +/- 0.33   0.010% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  17.46 +/- 1.90   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  20.61 +/- 1.02   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  23.79 +/- 0.73   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  27.94 +/- 1.00   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.57 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 = 36.0:
    * O T QG2   THR   26 - HB    THR   26   2.18 +/- 0.00  99.985% * 99.4369% (1.00  10.0 10.00   3.00  35.99) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   9.67 +/- 0.50   0.014% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.28 +/- 1.97   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.42 +/- 0.94   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.40 +/- 0.69   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  21.85 +/- 1.06   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.98 +/- 1.93   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.31 +/- 1.22   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.56 +/- 1.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  24.66 +/- 1.50   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 = 3.21, residual support = 36.0:
    * O T HA    THR   26 - QG2   THR   26   2.68 +/- 0.08  99.103% * 98.6211% (1.00  10.0 10.00   3.21  35.99) = 100.000%  kept
          HA    ASN   28 - QG2   THR   26   6.63 +/- 0.09   0.438% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.66 +/- 0.16   0.418% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.27 +/- 0.33   0.032% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.02 +/- 1.54   0.006% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.95 +/- 0.63   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.48 +/- 0.85   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.81 +/- 0.94   0.001% *  0.0480% (0.49   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 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.0:
    * O T HB    THR   26 - QG2   THR   26   2.18 +/- 0.00 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.99) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.87 +/- 0.62   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  17.71 +/- 0.51   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 = 4.74, residual support = 109.3:
    * O T HB2   TRP   27 - HA    TRP   27   2.96 +/- 0.01  99.991% * 99.8554% (1.00  10.0 10.00   4.74 109.27) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  14.72 +/- 1.23   0.008% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.12 +/- 0.72   0.001% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 109.3:
    * O T HB3   TRP   27 - HA    TRP   27   2.26 +/- 0.01  99.995% * 99.7166% (1.00  10.0 10.00   4.76 109.27) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.20 +/- 0.66   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.71 +/- 0.77   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.75 +/- 1.85   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.37 +/- 0.81   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.49 +/- 0.53   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 109.3:
    * O T HA    TRP   27 - HB2   TRP   27   2.96 +/- 0.01  99.994% * 99.7755% (1.00  10.0 10.00   4.74 109.27) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.85 +/- 1.41   0.003% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  18.54 +/- 0.68   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.82 +/- 1.32   0.001% *  0.0525% (0.53   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 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 = 109.3:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 109.27) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  15.01 +/- 0.92   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  15.73 +/- 2.07   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.02 +/- 0.66   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  15.77 +/- 1.09   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.07 +/- 0.70   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 109.3:
    * O T HA    TRP   27 - HB3   TRP   27   2.26 +/- 0.01  99.999% * 99.7755% (1.00  10.0 10.00   4.76 109.27) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.03 +/- 1.46   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  17.95 +/- 0.55   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.21 +/- 1.41   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 109.3:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.999% * 99.8554% (1.00  10.0 10.00   4.97 109.27) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  12.76 +/- 1.43   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.96 +/- 0.71   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 105.3:
    * O T HB2   ASN   28 - HA    ASN   28   3.06 +/- 0.01  99.731% * 99.2152% (1.00  10.0 10.00   4.34 105.25) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.83 +/- 1.22   0.120% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.57 +/- 1.10   0.137% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  17.91 +/- 4.20   0.006% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  22.20 +/- 1.56   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  20.65 +/- 1.92   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  16.90 +/- 1.53   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 105.3:
    * O T HB3   ASN   28 - HA    ASN   28   2.50 +/- 0.07  99.735% * 99.8456% (1.00  10.0 10.00   4.20 105.25) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.84 +/- 0.34   0.264% *  0.0922% (0.92   1.0  1.00   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  21.07 +/- 2.76   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  21.10 +/- 1.63   0.000% *  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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 105.2:
    * O T HA    ASN   28 - HB2   ASN   28   3.06 +/- 0.01  90.209% * 99.0365% (1.00  10.0 10.00   4.34 105.25) =  99.996%  kept
          HA    THR   26 - HB2   ASN   28   4.71 +/- 0.27   7.165% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.91 +/- 0.43   1.900% *  0.0291% (0.29   1.0  1.00   0.02  18.78) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.83 +/- 1.22   0.109% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.34 +/- 1.81   0.564% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.28 +/- 0.34   0.022% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  13.65 +/- 1.90   0.016% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.86 +/- 1.11   0.012% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  19.70 +/- 3.95   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.01 +/- 0.91   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.69 +/- 1.01   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.51 +/- 1.30   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.77 +/- 1.47   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  31.41 +/- 2.03   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.69 +/- 2.82   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.65 +/- 1.88   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  31.45 +/- 1.70   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  29.81 +/- 3.86   0.000% *  0.0054% (0.05   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 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 = 5.27, residual support = 105.3:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.977% * 99.4888% (1.00  10.0 10.00   5.27 105.25) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.42 +/- 0.40   0.019% *  0.0918% (0.92   1.0  1.00   0.02   8.89) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.69 +/- 1.16   0.002% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.45 +/- 0.91   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.65 +/- 2.77   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.89 +/- 3.02   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  23.87 +/- 1.57   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  20.71 +/- 2.18   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 = 105.3:
    * O T HA    ASN   28 - HB3   ASN   28   2.50 +/- 0.07  99.594% * 99.4977% (1.00  10.0 10.00   4.20 105.25) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.35 +/- 0.22   0.386% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.91 +/- 0.29   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  12.42 +/- 1.87   0.010% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  20.57 +/- 4.05   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.78 +/- 0.77   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.30 +/- 1.05   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.09 +/- 1.23   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.98 +/- 2.03   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 105.3:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.994% * 99.2152% (1.00  10.0 10.00   5.27 105.25) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.69 +/- 1.16   0.002% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.37 +/- 1.36   0.003% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  17.83 +/- 4.34   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  21.44 +/- 2.03   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.83 +/- 1.49   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  24.19 +/- 1.65   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 90.4:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.96 +/- 0.10  99.464% * 98.3644% (1.00  10.0 10.00   4.64  90.40) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.24 +/- 0.36   0.221% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HA    LYS+  33   9.24 +/- 0.54   0.117% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.69 +/- 0.41   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  10.66 +/- 1.34   0.066% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  15.25 +/- 0.75   0.006% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.21 +/- 1.67   0.060% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  15.69 +/- 1.56   0.006% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  17.55 +/- 2.01   0.003% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  13.53 +/- 1.89   0.017% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  15.08 +/- 2.19   0.010% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.59 +/- 1.30   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.69 +/- 0.76   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  17.45 +/- 1.54   0.003% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.21 +/- 0.84   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.55 +/- 0.61   0.003% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.27 +/- 1.58   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.59 +/- 2.24   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.80 +/- 1.01   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  18.39 +/- 2.13   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  16.89 +/- 1.80   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.08 +/- 0.77   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.25 +/- 0.82   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.75 +/- 0.97   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  19.31 +/- 1.09   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.72 +/- 1.23   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.85 +/- 1.23   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  22.65 +/- 1.57   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.25 +/- 1.24   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.55 +/- 1.70   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.91 +/- 1.07   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  26.84 +/- 2.32   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  28.28 +/- 2.07   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 0.28 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 5.05, residual support = 90.0:
      O   HB3   GLU-  29 - HA    GLU-  29   2.67 +/- 0.18  49.588% * 44.1425% (0.80  10.0  1.00   5.13  90.40) =  79.970%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.53 +/- 0.10   9.704% * 55.1273% (1.00  10.0 10.00   4.88  90.40) =  19.543%  kept
          QB    GLU-  36 - HA    LYS+  33   2.81 +/- 0.27  39.172% *  0.3397% (0.13   1.0  1.00   0.92   0.02) =   0.486%
          QB    GLU-  36 - HA    GLN   32   5.19 +/- 0.59   1.225% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33  10.30 +/- 0.84   0.017% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.52 +/- 0.35   0.101% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   9.21 +/- 0.64   0.032% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   8.32 +/- 0.77   0.064% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.64 +/- 0.29   0.044% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.93 +/- 0.46   0.037% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.49 +/- 0.58   0.015% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.23 +/- 0.39   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  18.48 +/- 2.56   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  27.06 +/- 1.63   0.000% *  0.0521% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  22.91 +/- 2.90   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  23.59 +/- 2.50   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  30.51 +/- 1.83   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  31.97 +/- 1.39   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 90.4:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.34 +/- 0.33  99.746% * 99.0116% (1.00  10.0 10.00   4.64  90.40) =  99.999%  kept
        T HG2   GLU-  29 - HA    GLN   32   7.54 +/- 0.46   0.164% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   9.40 +/- 0.92   0.085% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  21.38 +/- 4.05   0.000% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.87 +/- 0.72   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.70 +/- 1.15   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.17 +/- 1.34   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.78 +/- 0.94   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.15 +/- 0.68   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.47 +/- 0.74   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.48 +/- 1.08   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.52 +/- 0.69   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  28.60 +/- 1.66   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  25.37 +/- 4.15   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  27.61 +/- 3.76   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  25.01 +/- 0.86   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.52 +/- 0.69   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  26.53 +/- 0.88   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.13 +/- 0.91   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.96 +/- 2.01   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.19 +/- 1.91   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 90.4:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.96 +/- 0.10  99.646% * 98.1508% (1.00  10.0 10.00   4.64  90.40) =  99.998%  kept
        T HA    LYS+  33 - HB2   GLU-  29   9.24 +/- 0.54   0.117% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   8.24 +/- 0.36   0.222% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  15.13 +/- 0.58   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  19.24 +/- 4.42   0.003% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.01 +/- 0.88   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  23.48 +/- 1.27   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  24.39 +/- 3.17   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  28.98 +/- 0.86   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.34 +/- 1.61   0.000% *  0.0274% (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 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 4.29, residual support = 90.4:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  84.164% * 44.1051% (0.80  10.0  1.00   4.29  90.40) =  80.975%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.32 +/- 0.10  15.834% * 55.0806% (1.00  10.0 10.00   4.28  90.40) =  19.025%  kept
          QB    GLU-  36 - HB2   GLU-  29  10.75 +/- 0.63   0.002% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  16.39 +/- 2.39   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  25.77 +/- 1.52   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.86 +/- 0.48   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 = 90.4:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.80 +/- 0.17  99.994% * 99.6674% (1.00  10.0 10.00   4.00  90.40) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  20.34 +/- 3.85   0.001% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.84 +/- 0.73   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.41 +/- 1.09   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.67 +/- 0.82   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.06 +/- 0.68   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.94 +/- 1.68   0.000% *  0.0645% (0.65   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 = 4.64, residual support = 90.4:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.34 +/- 0.33  99.747% * 98.1508% (1.00  10.0 10.00   4.64  90.40) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   9.40 +/- 0.92   0.085% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   7.54 +/- 0.46   0.164% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  17.35 +/- 0.91   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.48 +/- 1.02   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  20.18 +/- 4.92   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  25.40 +/- 1.52   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  25.25 +/- 3.61   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.60 +/- 0.85   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.11 +/- 1.82   0.000% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 90.4:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.80 +/- 0.17  99.988% * 99.5124% (1.00  10.0 10.00   4.00  90.40) = 100.000%  kept
          HB3   PHE   72 - HG2   GLU-  29  16.80 +/- 0.75   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.65 +/- 1.61   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  18.42 +/- 1.32   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  17.96 +/- 2.06   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  18.38 +/- 1.90   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  18.59 +/- 0.69   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.83 +/- 1.01   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  23.51 +/- 2.34   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  26.81 +/- 1.77   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.22 +/- 0.81   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.37 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.07, residual support = 90.4:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.204% * 55.3193% (1.00  10.0 10.00   4.06  90.40) =  96.125%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.91 +/- 0.13   4.793% * 44.2962% (0.80  10.0 10.00   4.29  90.40) =   3.875%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.52 +/- 0.86   0.002% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.09 +/- 0.76   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  18.11 +/- 2.59   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  27.05 +/- 1.76   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.893, support = 4.7, residual support = 153.2:
      O T HG3   GLN   30 - HA    GLN   30   2.12 +/- 0.29  83.104% * 46.1414% (0.87  10.0 10.00   4.64 153.23) =  81.015%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.85 +/- 0.15  16.893% * 53.1933% (1.00  10.0 10.00   4.93 153.23) =  18.985%  kept
          HB3   GLU- 100 - HA    GLN   30  13.50 +/- 1.35   0.002% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  22.32 +/- 1.06   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  13.95 +/- 0.72   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.93 +/- 1.45   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  15.28 +/- 0.76   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.70 +/- 1.12   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.74 +/- 1.18   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.48 +/- 1.58   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.48 +/- 1.15   0.000% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.16, residual support = 152.0:
    * O T HB3   GLN   30 - HA    GLN   30   2.87 +/- 0.10  71.478% * 97.5739% (1.00  10.0 10.00   5.19 153.23) =  99.221%  kept
          QB    LYS+  33 - HA    GLN   30   3.45 +/- 0.45  28.511% *  1.9206% (0.25   1.0  1.00   1.58   0.27) =   0.779%  kept
          HB3   LYS+  38 - HA    GLN   30  13.36 +/- 0.54   0.007% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.36 +/- 0.84   0.001% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  23.88 +/- 1.44   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  21.87 +/- 3.48   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.47 +/- 0.89   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  21.73 +/- 3.00   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  26.32 +/- 0.73   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  20.79 +/- 0.93   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  26.51 +/- 1.50   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.44 +/- 1.37   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 153.2:
    * O T HG2   GLN   30 - HA    GLN   30   3.16 +/- 0.23  99.444% * 99.8053% (1.00  10.0 10.00   5.60 153.23) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.62 +/- 0.09   0.553% *  0.0921% (0.92   1.0  1.00   0.02   8.89) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  21.68 +/- 2.92   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.45 +/- 1.47   0.002% *  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 = 4.93, residual support = 153.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.85 +/- 0.15  99.777% * 99.6678% (1.00  10.0 10.00   4.93 153.23) = 100.000%  kept
          HB3   SER   37 - HB2   GLN   30   9.04 +/- 1.27   0.135% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   GLN   30  10.11 +/- 1.55   0.078% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  15.72 +/- 2.37   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  20.04 +/- 4.60   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.59 +/- 1.36   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  26.08 +/- 1.77   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  21.58 +/- 3.00   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  23.50 +/- 0.75   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 153.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.658% * 98.9590% (1.00  10.0 10.00   4.15 153.23) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   5.20 +/- 0.82   0.341% *  0.0247% (0.25   1.0  1.00   0.02   0.27) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.33 +/- 0.79   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.80 +/- 1.21   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.23 +/- 1.63   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  20.16 +/- 3.76   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.94 +/- 0.94   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  25.02 +/- 1.39   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  24.17 +/- 0.75   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.86 +/- 0.87   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  24.05 +/- 1.65   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  22.80 +/- 2.66   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 153.2:
    * O T HG2   GLN   30 - HB2   GLN   30   2.49 +/- 0.30  99.818% * 99.8053% (1.00  10.0 10.00   5.57 153.23) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.17 +/- 0.68   0.180% *  0.0921% (0.92   1.0  1.00   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.11 +/- 2.80   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.82 +/- 1.53   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 153.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.87 +/- 0.10  99.714% * 99.5115% (1.00  10.0 10.00   5.19 153.23) = 100.000%  kept
          HB3   SER   37 - HB3   GLN   30   8.53 +/- 1.00   0.186% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB3   GLN   30   9.47 +/- 0.83   0.089% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.59 +/- 2.03   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  20.46 +/- 4.04   0.001% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  23.40 +/- 0.72   0.000% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.65 +/- 1.35   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  26.19 +/- 1.66   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  21.79 +/- 3.07   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 = 0.994, support = 4.19, residual support = 153.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.655% * 53.1733% (1.00  10.0 10.00   4.15 153.23) =  95.332%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.85 +/- 0.13   5.344% * 46.1240% (0.87  10.0  1.00   4.92 153.23) =   4.668%  kept
          HB3   GLU- 100 - HB3   GLN   30  12.93 +/- 1.31   0.001% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  13.57 +/- 0.72   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  26.05 +/- 1.20   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.92 +/- 1.33   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  14.09 +/- 0.72   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.05 +/- 1.00   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.66 +/- 1.05   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.30 +/- 1.20   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.80 +/- 1.58   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 = 5.76, residual support = 153.2:
    * O T HG2   GLN   30 - HB3   GLN   30   2.75 +/- 0.28  99.739% * 99.8053% (1.00  10.0 10.00   5.76 153.23) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.48 +/- 0.52   0.258% *  0.0921% (0.92   1.0  1.00   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  19.71 +/- 2.93   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.36 +/- 1.55   0.002% *  0.0340% (0.34   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 153.2:
    * O T HA    GLN   30 - HG2   GLN   30   3.16 +/- 0.23  99.797% * 99.6678% (1.00  10.0 10.00   5.60 153.23) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  11.06 +/- 1.09   0.067% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30   9.97 +/- 0.87   0.106% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.68 +/- 2.21   0.022% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  19.80 +/- 3.81   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.43 +/- 1.37   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.13 +/- 1.70   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  21.85 +/- 2.91   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.42 +/- 0.82   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.887, support = 5.97, residual support = 153.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  87.116% * 46.1414% (0.87  10.0 10.00   6.04 153.23) =  85.435%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.49 +/- 0.30  12.882% * 53.1933% (1.00  10.0 10.00   5.57 153.23) =  14.565%  kept
        T HB2   PRO   93 - HG2   GLN   30  20.06 +/- 1.17   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.39 +/- 1.34   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.99 +/- 0.83   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  13.20 +/- 0.69   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.26 +/- 1.66   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.45 +/- 1.14   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.93 +/- 1.55   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.47 +/- 1.15   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.78 +/- 1.25   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 = 5.76, residual support = 153.2:
    * O T HB3   GLN   30 - HG2   GLN   30   2.75 +/- 0.28  98.063% * 99.4599% (1.00  10.0 10.00   5.76 153.23) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.67 +/- 0.60   1.927% *  0.0248% (0.25   1.0  1.00   0.02   0.27) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.31 +/- 0.73   0.004% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.69 +/- 0.83   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.85 +/- 1.60   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.74 +/- 3.32   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.26 +/- 0.92   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  24.09 +/- 0.81   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  20.37 +/- 0.80   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  21.47 +/- 2.71   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  24.13 +/- 1.51   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.70 +/- 1.49   0.000% *  0.0153% (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 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.3:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.00  99.570% * 99.2507% (1.00  10.0 10.00   6.00 230.31) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.53 +/- 1.16   0.281% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31   9.88 +/- 0.68   0.089% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.34 +/- 1.21   0.045% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  15.42 +/- 1.00   0.006% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  17.16 +/- 0.89   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  20.90 +/- 4.89   0.002% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.36 +/- 1.67   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  20.32 +/- 2.60   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  21.23 +/- 1.19   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  22.47 +/- 2.99   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.38 +/- 2.02   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.3:
    * O T HB3   LEU   31 - HA    LEU   31   2.50 +/- 0.05  99.965% * 99.6763% (1.00  10.0 10.00   6.00 230.31) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.08 +/- 0.48   0.025% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.38 +/- 0.47   0.007% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.84 +/- 1.77   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.55 +/- 0.60   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  17.31 +/- 0.76   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.73 +/- 1.88   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  28.99 +/- 1.46   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.94, residual support = 230.3:
    * O T HG    LEU   31 - HA    LEU   31   2.99 +/- 0.50  79.312% * 99.6594% (0.80  10.0 10.00   5.94 230.31) =  99.990%  kept
          QG1   VAL   41 - HA    LEU   31   4.03 +/- 0.51  18.791% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HA    LEU   31   6.35 +/- 0.87   1.895% *  0.1149% (0.92   1.0  1.00   0.02   1.33) =   0.003%
          QD1   ILE   56 - HA    LEU   31  19.75 +/- 1.12   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.33 +/- 1.78   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.84, residual support = 230.3:
    *   T QD1   LEU   31 - HA    LEU   31   3.61 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.84 230.31) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.29 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 230.3:
    *   T QD2   LEU   31 - HA    LEU   31   2.39 +/- 0.58  99.882% * 99.6345% (1.00 10.00   5.73 230.31) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   8.37 +/- 1.41   0.115% *  0.2484% (0.25 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  16.88 +/- 3.18   0.002% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  18.18 +/- 3.27   0.001% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.3:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.31) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.3:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.993% * 99.6763% (1.00  10.0 10.00   6.00 230.31) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.04 +/- 0.52   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  13.14 +/- 0.34   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.88 +/- 1.79   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.80 +/- 0.87   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  18.37 +/- 1.03   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.76 +/- 1.99   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  30.48 +/- 1.69   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.3:
    * O T HG    LEU   31 - HB2   LEU   31   2.66 +/- 0.36  98.705% * 99.6594% (0.80  10.0 10.00   5.97 230.31) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   6.06 +/- 0.55   1.097% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB2   LEU   31   7.80 +/- 0.58   0.197% *  0.1149% (0.92   1.0  1.00   0.02   1.33) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.90 +/- 1.25   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.30 +/- 1.92   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 = 230.3:
    * O T QD1   LEU   31 - HB2   LEU   31   2.56 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.31) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T QD2   LEU   31 - HB2   LEU   31   2.71 +/- 0.40  99.638% * 99.6345% (1.00  10.0 10.00   5.76 230.31) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.80 +/- 1.46   0.349% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31  16.14 +/- 3.33   0.009% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  17.58 +/- 3.31   0.005% *  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 = 230.3:
    * O T HA    LEU   31 - HB3   LEU   31   2.50 +/- 0.05 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.31) = 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 = 230.3:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.985% * 99.2507% (1.00  10.0 10.00   6.00 230.31) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.73 +/- 1.46   0.011% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.59 +/- 1.06   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.11 +/- 1.18   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  16.60 +/- 1.26   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  21.05 +/- 5.33   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.77 +/- 1.16   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  20.35 +/- 2.86   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.30 +/- 1.65   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  22.11 +/- 3.16   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.93 +/- 1.47   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.72 +/- 2.19   0.000% *  0.0984% (0.99   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 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 230.3:
    * O T HG    LEU   31 - HB3   LEU   31   2.70 +/- 0.25  95.295% * 98.0242% (0.80  10.0 10.00   5.96 230.31) =  99.996%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.88 +/- 0.70   0.221% *  1.1301% (0.92   1.0 10.00   0.02   1.33) =   0.003%
          QG1   VAL   41 - HB3   LEU   31   4.98 +/- 0.69   4.482% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HB3   LEU   31  20.99 +/- 1.98   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  20.60 +/- 1.31   0.001% *  0.1221% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.3:
    * O T QD1   LEU   31 - HB3   LEU   31   2.18 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.31) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T QD2   LEU   31 - HB3   LEU   31   2.99 +/- 0.21  99.731% * 99.6345% (1.00  10.0 10.00   5.76 230.31) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.87 +/- 1.62   0.259% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31  16.86 +/- 3.39   0.005% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  18.01 +/- 3.30   0.004% *  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 = 5.94, residual support = 230.3:
    * O T HA    LEU   31 - HG    LEU   31   2.99 +/- 0.50 100.000% *100.0000% (0.80  10.0 10.00   5.94 230.31) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.3:
    * O T HB2   LEU   31 - HG    LEU   31   2.66 +/- 0.36  99.289% * 99.2507% (0.80  10.0 10.00   5.97 230.31) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   7.96 +/- 1.59   0.652% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.60 +/- 1.82   0.024% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.18 +/- 1.28   0.023% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  14.53 +/- 1.13   0.005% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  18.86 +/- 5.62   0.002% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.24 +/- 1.09   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  18.48 +/- 3.04   0.001% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.86 +/- 1.78   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  20.38 +/- 3.16   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.83 +/- 1.33   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.99 +/- 2.07   0.000% *  0.0984% (0.79   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 230.3:
    * O T HB3   LEU   31 - HG    LEU   31   2.70 +/- 0.25  99.694% * 99.4283% (0.80  10.0 10.00   5.96 230.31) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.11 +/- 0.86   0.284% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  12.34 +/- 0.76   0.016% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  20.85 +/- 2.17   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  20.69 +/- 1.87   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.91 +/- 0.86   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.44 +/- 0.99   0.002% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  28.18 +/- 1.63   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 = 4.94, residual support = 230.3:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.94 230.31) = 100.000%  kept
    Distance limit 3.19 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 = 5.84, residual support = 230.3:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.763% * 99.6345% (0.80  10.0 10.00   5.84 230.31) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   7.05 +/- 1.48   0.234% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31  15.07 +/- 3.56   0.002% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  16.25 +/- 3.39   0.001% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.84, residual support = 230.3:
    *   T HA    LEU   31 - QD1   LEU   31   3.61 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.84 230.31) = 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 = 230.3:
    * O T HB2   LEU   31 - QD1   LEU   31   2.56 +/- 0.23  98.484% * 99.2507% (1.00  10.0 10.00   4.87 230.31) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.27 +/- 1.35   1.432% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   31  10.61 +/- 1.10   0.030% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.52 +/- 0.78   0.024% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  12.46 +/- 1.26   0.010% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31  15.81 +/- 4.73   0.007% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.90 +/- 1.20   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  15.35 +/- 2.50   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  16.60 +/- 2.65   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  16.52 +/- 1.38   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.36 +/- 1.37   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.53 +/- 1.87   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 = 230.3:
    * O T HB3   LEU   31 - QD1   LEU   31   2.18 +/- 0.24  99.794% * 99.6763% (1.00  10.0 10.00   4.87 230.31) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.66 +/- 0.51   0.192% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  11.23 +/- 0.56   0.008% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.50 +/- 1.68   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.14 +/- 1.04   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.61 +/- 1.17   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.29 +/- 1.80   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  23.56 +/- 1.77   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 230.3:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  97.629% * 99.6594% (0.80  10.0 10.00   4.94 230.31) =  99.999%  kept
          QG1   VAL   41 - QD1   LEU   31   4.37 +/- 0.67   2.171% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   6.16 +/- 0.60   0.199% *  0.1149% (0.92   1.0  1.00   0.02   1.33) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.97 +/- 1.21   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.84 +/- 1.67   0.000% *  0.0705% (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 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.3:
    * O T QD2   LEU   31 - QD1   LEU   31   2.09 +/- 0.04  98.938% * 99.6345% (1.00  10.0 10.00   4.62 230.31) =  99.997%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.91 +/- 1.49   1.053% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - QD1   LEU   31  12.49 +/- 2.95   0.005% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31  13.22 +/- 2.74   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 230.3:
    *   T HA    LEU   31 - QD2   LEU   31   2.39 +/- 0.58  99.885% * 99.9324% (1.00 10.00   5.73 230.31) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   8.37 +/- 1.41   0.115% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T HB2   LEU   31 - QD2   LEU   31   2.71 +/- 0.40  94.776% * 98.7715% (1.00  10.0 10.00   5.76 230.31) =  99.999%  kept
          HG    LEU   98 - QD2   LEU   31   6.53 +/- 1.15   1.539% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   8.80 +/- 1.46   0.316% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.76 +/- 0.53   1.494% *  0.0054% (0.05   1.0  1.00   0.02  15.32) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.69 +/- 1.49   1.346% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.38 +/- 0.94   0.055% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.57 +/- 0.87   0.046% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  11.29 +/- 1.07   0.035% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  15.01 +/- 2.01   0.007% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  15.18 +/- 3.96   0.014% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.61 +/- 1.14   0.011% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43  11.32 +/- 3.57   0.137% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.78 +/- 0.56   0.059% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.62 +/- 1.02   0.067% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.91 +/- 1.10   0.004% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  16.75 +/- 2.42   0.003% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.99 +/- 1.42   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43  11.04 +/- 1.44   0.037% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.49 +/- 1.73   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.66 +/- 0.82   0.014% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.95 +/- 2.10   0.009% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  12.76 +/- 1.98   0.018% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.90 +/- 1.16   0.006% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.37 +/- 0.86   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T HB3   LEU   31 - QD2   LEU   31   2.99 +/- 0.21  88.122% * 99.5873% (1.00  10.0 10.00   5.76 230.31) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   6.44 +/- 0.69   1.241% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   VAL   43   5.09 +/- 1.23   9.672% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   8.87 +/- 1.62   0.235% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.42 +/- 0.38   0.092% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.11 +/- 0.70   0.273% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.70 +/- 1.59   0.003% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.95 +/- 0.82   0.013% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.95 +/- 0.79   0.180% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.33 +/- 0.90   0.012% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.28 +/- 0.66   0.127% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.67 +/- 0.85   0.018% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.24 +/- 1.76   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  22.91 +/- 1.53   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  17.45 +/- 1.60   0.003% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.29 +/- 1.38   0.006% *  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 = 5.84, residual support = 230.3:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  82.781% * 99.5693% (0.80  10.0 10.00   5.84 230.31) =  99.995%  kept
          QD2   LEU   73 - QD2   LEU   31   4.41 +/- 0.71   1.595% *  0.1148% (0.92   1.0  1.00   0.02   1.33) =   0.002%
          QG1   VAL   41 - QD2   LEU   31   3.86 +/- 0.75   5.413% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   3.91 +/- 1.01   9.894% *  0.0078% (0.06   1.0  1.00   0.02   8.34) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   7.05 +/- 1.48   0.193% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.55 +/- 0.59   0.113% *  0.0021% (0.02   1.0  1.00   0.02   1.41) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.30 +/- 1.10   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.51 +/- 1.09   0.008% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.84 +/- 1.62   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.78 +/- 1.30   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 = 230.3:
    * O T QD1   LEU   31 - QD2   LEU   31   2.09 +/- 0.04  98.947% * 99.9324% (1.00  10.0 10.00   4.62 230.31) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.91 +/- 1.49   1.053% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.03, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.45 +/- 0.08  80.297% * 48.6885% (0.69  10.0 10.00   2.96  44.17) =  94.560%  kept
        T QB    GLN   32 - HA    LYS+  33   4.01 +/- 0.14   4.392% * 50.1038% (0.71   1.0 10.00   4.38  11.03) =   5.323%  kept
        T QB    GLN   32 - HA    GLU-  29   3.45 +/- 0.57  15.268% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.117%
          HG3   GLU- 100 - HA    LYS+  33  11.38 +/- 1.45   0.012% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  11.79 +/- 1.75   0.011% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.87 +/- 0.26   0.011% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.54 +/- 0.44   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  16.52 +/- 1.54   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.53 +/- 0.42   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.03 +/- 1.57   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  15.33 +/- 2.02   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.90 +/- 1.18   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.55 +/- 1.16   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  19.04 +/- 1.90   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  18.23 +/- 1.74   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.44 +/- 0.91   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  30.36 +/- 0.89   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.01 +/- 2.41   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  31.27 +/- 2.51   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.90 +/- 2.47   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.62 +/- 0.69   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 = 2.99, residual support = 43.3:
    * O T QG    GLN   32 - HA    GLN   32   2.27 +/- 0.16  85.888% * 48.7402% (0.69  10.0 10.00   2.96  44.17) =  97.335%  kept
        T QG    GLN   32 - HA    LYS+  33   4.83 +/- 0.73   2.210% * 50.1570% (0.71   1.0 10.00   4.39  11.03) =   2.577%  kept
        T QG    GLN   32 - HA    GLU-  29   4.41 +/- 1.22  11.888% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.088%
        T HB2   GLU- 100 - HA    GLN   32  11.71 +/- 1.27   0.006% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.06 +/- 1.04   0.004% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.12 +/- 1.23   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  15.80 +/- 2.64   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.98 +/- 2.85   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  20.49 +/- 2.57   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.13 +/- 0.91   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.52 +/- 0.69   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.87 +/- 0.72   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.15 +/- 0.68   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.67 +/- 0.89   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.48 +/- 1.08   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.52 +/- 0.69   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.48 +/- 0.72   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.96 +/- 2.01   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.19 +/- 1.91   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  28.60 +/- 1.66   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  31.03 +/- 0.91   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 = 0.69, support = 3.03, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.45 +/- 0.08  80.327% * 46.7473% (0.69  10.0 10.00   2.96  44.17) =  94.043%  kept
        T HA    LYS+  33 - QB    GLN   32   4.01 +/- 0.14   4.394% * 52.0093% (0.76   1.0 10.00   4.38  11.03) =   5.723%  kept
        T HA    GLU-  29 - QB    GLN   32   3.45 +/- 0.57  15.273% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.233%
          HA    VAL   70 - QB    GLN   32  13.18 +/- 0.66   0.004% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    GLN   32  15.37 +/- 0.71   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  21.85 +/- 4.63   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  27.80 +/- 1.64   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  25.15 +/- 1.19   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  25.81 +/- 3.15   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.48 +/- 0.74   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  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.17) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  12.56 +/- 1.08   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  16.81 +/- 2.50   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.56 +/- 0.73   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.17 +/- 0.94   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  26.54 +/- 1.68   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.63 +/- 0.69   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 = 0.688, support = 2.99, residual support = 43.2:
    * O T HA    GLN   32 - QG    GLN   32   2.27 +/- 0.16  85.898% * 46.7583% (0.69  10.0 10.00   2.96  44.17) =  97.046%  kept
        T HA    LYS+  33 - QG    GLN   32   4.83 +/- 0.73   2.210% * 52.0216% (0.76   1.0 10.00   4.39  11.03) =   2.778%  kept
        T HA    GLU-  29 - QG    GLN   32   4.41 +/- 1.22  11.889% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.175%
          HA    VAL   70 - QG    GLN   32  14.02 +/- 0.57   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.65 +/- 0.79   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  22.67 +/- 4.85   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.20 +/- 0.86   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  26.29 +/- 1.51   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  26.46 +/- 3.24   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.77 +/- 1.54   0.000% *  0.0331% (0.49   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 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  44.17) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  12.36 +/- 1.55   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.35 +/- 1.21   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.01 +/- 1.10   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  17.36 +/- 1.78   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.43 +/- 0.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.91 +/- 2.09   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 = 148.3:
    * O T QB    LYS+  33 - HA    LYS+  33   2.24 +/- 0.08  98.935% * 96.5845% (1.00  10.0 10.00   6.19 148.26) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.49 +/- 0.19   0.483% *  0.2484% (0.26   1.0 10.00   0.02  11.03) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.79 +/- 0.45   0.147% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.45 +/- 0.49   0.084% *  0.0241% (0.25   1.0  1.00   0.02   0.27) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   6.15 +/- 0.38   0.256% *  0.0067% (0.07   1.0  1.00   0.02  19.40) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.82 +/- 0.24   0.014% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.59 +/- 0.23   0.069% *  0.0062% (0.06   1.0  1.00   0.02   1.63) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.30 +/- 0.42   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  21.19 +/- 3.99   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  26.63 +/- 3.51   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.39 +/- 1.51   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.80 +/- 0.88   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.37 +/- 0.84   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  25.36 +/- 4.23   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.84 +/- 1.42   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.82 +/- 0.98   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.13 +/- 1.26   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.97 +/- 0.35   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.55 +/- 0.95   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.99 +/- 1.24   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  21.39 +/- 1.19   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.46 +/- 1.23   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.48 +/- 1.86   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  23.05 +/- 0.95   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.19 +/- 1.03   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.35 +/- 2.65   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.09 +/- 1.75   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  28.02 +/- 0.99   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.54 +/- 1.50   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.67 +/- 1.15   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.56 +/- 1.79   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.00 +/- 1.96   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.89 +/- 0.85   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.85 +/- 1.40   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  30.03 +/- 1.97   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.19 +/- 1.20   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  28.11 +/- 1.09   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  32.14 +/- 1.39   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.77 +/- 2.38   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  24.52 +/- 1.67   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.29 +/- 2.25   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.72 +/- 1.67   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 = 0.99, support = 5.97, residual support = 146.4:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.19 +/- 0.43  90.455% * 76.3092% (1.00  10.0 10.00   6.00 148.26) =  98.636%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.70 +/- 0.82   4.817% * 19.6245% (0.26   1.0 10.00   4.17  11.03) =   1.351%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.70 +/- 2.05   4.277% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+ 102 - HA    LYS+  33  16.85 +/- 1.67   0.006% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  15.32 +/- 2.07   0.014% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.83 +/- 0.83   0.046% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  13.76 +/- 1.10   0.020% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  11.55 +/- 0.93   0.056% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.66 +/- 1.15   0.098% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.68 +/- 0.62   0.012% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.56 +/- 1.12   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  23.10 +/- 1.43   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  19.10 +/- 1.94   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  15.52 +/- 2.23   0.009% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  13.68 +/- 1.23   0.023% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  20.17 +/- 1.55   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.43 +/- 1.00   0.033% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.24 +/- 1.46   0.002% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.76 +/- 1.11   0.019% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  15.32 +/- 0.61   0.009% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.74 +/- 0.41   0.007% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.56 +/- 1.33   0.035% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  25.15 +/- 1.47   0.000% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  25.49 +/- 1.26   0.000% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.77 +/- 0.77   0.004% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.05 +/- 1.14   0.016% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  18.59 +/- 2.36   0.003% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.58 +/- 0.50   0.008% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  18.99 +/- 2.25   0.002% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  19.01 +/- 3.84   0.005% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  18.48 +/- 0.78   0.003% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.49 +/- 2.59   0.003% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.89 +/- 2.44   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  24.30 +/- 2.42   0.001% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  24.51 +/- 3.70   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.34 +/- 1.15   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  33.13 +/- 0.88   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  22.95 +/- 2.80   0.001% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  23.35 +/- 4.44   0.001% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.98 +/- 2.61   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.22 +/- 1.00   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.88 +/- 2.55   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.82 +/- 1.22   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.65 +/- 0.88   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  33.13 +/- 1.02   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.12 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.99, support = 4.76, residual support = 146.6:
    *   T QD    LYS+  33 - HA    LYS+  33   3.68 +/- 0.61  88.139% * 76.4467% (1.00 10.00   4.79 148.26) =  98.790%  kept
        T QD    LYS+  33 - HA    GLN   32   6.60 +/- 0.96   3.068% * 19.6599% (0.26 10.00   3.10  11.03) =   0.884%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.74 +/- 1.71   8.766% *  2.5309% (0.28 10.00   0.24   0.02) =   0.325%
          HD2   LYS+  74 - HA    LYS+  33  19.48 +/- 1.21   0.005% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.03 +/- 2.01   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.50 +/- 0.69   0.002% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.70 +/- 0.66   0.009% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.13 +/- 2.69   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.85 +/- 2.22   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  20.18 +/- 1.25   0.004% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.28 +/- 2.08   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.80 +/- 0.70   0.002% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  24.26 +/- 0.83   0.001% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.67 +/- 2.46   0.001% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.50 +/- 2.34   0.000% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.52 +/- 1.25   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.58 +/- 1.39   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  32.94 +/- 1.51   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.23 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.799, support = 4.92, residual support = 115.8:
    *   T QE    LYS+  33 - HA    LYS+  33   3.89 +/- 0.80  30.763% * 50.1199% (1.00 10.00   5.44 148.26) =  74.691%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.99 +/- 0.17  19.860% * 13.7158% (0.27 10.00   4.69  33.63) =  13.195%  kept
        T HB2   ASN   35 - HA    GLN   32   3.61 +/- 0.77  44.211% *  4.3967% (0.09 10.00   2.06   5.85) =   9.416%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.47 +/- 0.19   2.671% * 17.0963% (0.34 10.00   2.02   1.47) =   2.212%  kept
        T QE    LYS+  33 - HA    GLN   32   6.75 +/- 0.97   0.759% * 12.8894% (0.26 10.00   3.25  11.03) =   0.474%
        T QE    LYS+  33 - HA    GLU-  29   7.01 +/- 1.69   1.324% *  0.1399% (0.28 10.00   0.02   0.02) =   0.009%
        T HB2   ASN   28 - HA    GLN   32   8.62 +/- 0.44   0.209% *  0.1263% (0.25 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  33  11.31 +/- 0.37   0.037% *  0.4913% (0.98 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  29   9.08 +/- 0.94   0.131% *  0.0477% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.90 +/- 1.58   0.001% *  0.4495% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  12.73 +/- 1.48   0.020% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  23.59 +/- 1.81   0.001% *  0.1255% (0.25 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  19.24 +/- 1.23   0.002% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  24.10 +/- 1.44   0.000% *  0.1156% (0.23 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  23.67 +/- 1.28   0.000% *  0.1116% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  21.07 +/- 4.24   0.002% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  23.34 +/- 1.53   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.09 +/- 1.30   0.004% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  27.28 +/- 4.07   0.000% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  27.71 +/- 1.35   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  23.10 +/- 1.71   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  24.94 +/- 4.40   0.001% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.63 +/- 1.01   0.002% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  27.27 +/- 1.83   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 148.3:
    * O T HA    LYS+  33 - QB    LYS+  33   2.24 +/- 0.08  98.437% * 98.1731% (1.00  10.0 10.00   6.19 148.26) =  99.997%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.79 +/- 0.45   0.147% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  33   5.49 +/- 0.19   0.481% *  0.2730% (0.28   1.0 10.00   0.02  11.03) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.09 +/- 0.48   0.903% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.17 +/- 0.83   0.027% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.86 +/- 0.86   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  23.01 +/- 3.81   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.78 +/- 1.06   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.46 +/- 1.59   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.93 +/- 0.90   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  26.78 +/- 2.82   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 148.3:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.43 +/- 0.11  99.926% * 96.3761% (1.00  10.0 10.00   6.19 148.26) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.24 +/- 0.76   0.021% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33  10.49 +/- 1.00   0.019% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.60 +/- 1.40   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.67 +/- 0.68   0.009% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  12.58 +/- 1.87   0.009% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  18.73 +/- 1.32   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.64 +/- 1.09   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.73 +/- 0.99   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.80 +/- 0.76   0.003% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  20.47 +/- 2.07   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.49 +/- 2.17   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  20.31 +/- 3.06   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.94 +/- 1.17   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  28.13 +/- 0.96   0.000% *  0.0864% (0.90   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 148.3:
    * O T QD    LYS+  33 - QB    LYS+  33   2.21 +/- 0.20  99.999% * 97.3258% (1.00  10.0 10.00   5.06 148.26) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.37 +/- 1.11   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.28 +/- 2.36   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.28 +/- 1.91   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.35 +/- 0.66   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.08 +/- 1.11   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 148.3:
    *   T QE    LYS+  33 - QB    LYS+  33   2.77 +/- 0.60  98.753% * 98.6189% (1.00 10.00   5.63 148.26) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.51 +/- 0.33   1.063% *  0.0336% (0.34  1.00   0.02   1.47) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   9.55 +/- 0.35   0.102% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.82 +/- 1.42   0.003% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  10.49 +/- 1.15   0.077% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  19.27 +/- 1.17   0.002% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  23.27 +/- 3.52   0.001% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  22.90 +/- 1.11   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 = 0.988, support = 5.97, residual support = 146.0:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.19 +/- 0.43  82.381% * 74.2013% (1.00  10.0 10.00   6.00 148.26) =  98.381%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.70 +/- 0.82   4.721% * 20.6307% (0.28   1.0 10.00   4.17  11.03) =   1.567%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.70 +/- 2.05   4.239% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.049%
          HB2   SER   37 - HG3   LYS+  33   6.65 +/- 1.99   8.087% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   LYS+  65   9.06 +/- 1.52   0.346% *  0.0606% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  11.02 +/- 1.48   0.067% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.85 +/- 1.67   0.006% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.16 +/- 1.06   0.027% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.32 +/- 2.07   0.013% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.75 +/- 1.03   0.018% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  19.10 +/- 1.94   0.003% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.34 +/- 0.29   0.020% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.05 +/- 1.50   0.014% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.24 +/- 1.46   0.002% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.56 +/- 1.12   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  23.10 +/- 1.43   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  14.78 +/- 0.85   0.010% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.66 +/- 0.82   0.008% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.17 +/- 1.55   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  25.15 +/- 1.47   0.000% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.83 +/- 0.80   0.004% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.83 +/- 1.29   0.002% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.10 +/- 2.30   0.003% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.36 +/- 1.43   0.009% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.49 +/- 1.26   0.000% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  25.14 +/- 4.68   0.001% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  25.57 +/- 5.54   0.001% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.23 +/- 0.87   0.001% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  21.44 +/- 1.50   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.57 +/- 1.42   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.66 +/- 1.51   0.002% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.47 +/- 0.79   0.001% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.02 +/- 1.20   0.002% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.97 +/- 0.97   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.67 +/- 1.55   0.000% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.75 +/- 2.55   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  23.24 +/- 1.86   0.001% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  31.56 +/- 5.36   0.000% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.49 +/- 3.20   0.000% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.87 +/- 1.48   0.000% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.60 +/- 2.07   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  31.01 +/- 1.10   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  31.35 +/- 2.33   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.98 +/- 1.76   0.000% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.847, support = 6.1, residual support = 143.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.43 +/- 0.11  48.018% * 60.0127% (1.00  10.0 10.00   6.19 148.26) =  61.604%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.06  49.787% * 36.0742% (0.60  10.0 10.00   5.95 135.77) =  38.395%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.12 +/- 0.42   0.647% *  0.0374% (0.62   1.0  1.00   0.02  22.95) =   0.001%
          HB    ILE  103 - HG3   LYS+ 102   6.41 +/- 1.19   0.442% *  0.0282% (0.47   1.0  1.00   0.02  22.16) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.68 +/- 0.53   0.345% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   5.57 +/- 1.17   0.695% *  0.0150% (0.25   1.0  1.00   0.02   0.27) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.66 +/- 1.29   0.005% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.10 +/- 2.15   0.024% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.60 +/- 1.40   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  11.26 +/- 1.42   0.008% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.89 +/- 1.06   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.68 +/- 1.29   0.005% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.58 +/- 0.94   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  18.73 +/- 1.32   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  10.81 +/- 1.40   0.009% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.64 +/- 1.09   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.35 +/- 1.61   0.004% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.62 +/- 1.63   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.35 +/- 1.43   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.80 +/- 2.00   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.87 +/- 0.81   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.19 +/- 1.29   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.73 +/- 1.13   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.46 +/- 1.00   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  21.29 +/- 0.97   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.50 +/- 0.62   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.34 +/- 1.54   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  17.99 +/- 0.91   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  20.49 +/- 1.96   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.44 +/- 1.51   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  16.82 +/- 1.54   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.45 +/- 1.23   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  21.83 +/- 1.06   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  24.72 +/- 3.67   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  23.85 +/- 3.22   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.21 +/- 1.03   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  19.24 +/- 1.42   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.79 +/- 1.08   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.30 +/- 1.30   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.14 +/- 1.68   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.54 +/- 1.65   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.24 +/- 1.77   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  19.85 +/- 1.70   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.62 +/- 2.77   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.35 +/- 1.12   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.53 +/- 1.72   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.62 +/- 1.42   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.70 +/- 1.32   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.44 +/- 1.31   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  30.07 +/- 3.38   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  30.97 +/- 1.71   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.58 +/- 1.47   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.47 +/- 1.83   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.65 +/- 2.17   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.56 +/- 1.42   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.02 +/- 2.02   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 148.3:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.30 +/- 0.13  99.946% * 94.8130% (1.00  10.0 10.00   4.55 148.26) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.01 +/- 1.04   0.035% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.10 +/- 1.65   0.003% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  18.69 +/- 1.94   0.000% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.16 +/- 1.45   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.06 +/- 1.49   0.007% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  13.49 +/- 1.60   0.004% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.78 +/- 0.94   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.08 +/- 1.82   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.77 +/- 1.26   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.49 +/- 0.63   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.89 +/- 2.56   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.30 +/- 1.38   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.42 +/- 1.46   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.67 +/- 2.21   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.50 +/- 1.57   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  20.35 +/- 1.71   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.89 +/- 0.80   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  25.54 +/- 3.04   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.59 +/- 1.01   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.42 +/- 1.46   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.79 +/- 1.12   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.46 +/- 1.47   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.31 +/- 1.58   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 = 0.844, support = 4.51, residual support = 160.3:
      O T QE    LYS+  65 - HG3   LYS+  65   2.23 +/- 0.29  74.304% * 42.3520% (0.77  10.0 10.00   4.27 165.66) =  69.213%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.85 +/- 0.51  25.597% * 54.6859% (1.00  10.0 10.00   5.05 148.26) =  30.787%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.32 +/- 0.46   0.068% *  0.0187% (0.34   1.0  1.00   0.02   1.47) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.88 +/- 1.86   0.018% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  19.39 +/- 2.09   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.61 +/- 1.53   0.000% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  20.53 +/- 1.85   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.66 +/- 2.27   0.006% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.18 +/- 0.65   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.50 +/- 1.07   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.97 +/- 2.09   0.003% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.57 +/- 1.66   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  21.37 +/- 1.73   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.49 +/- 1.12   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.50 +/- 1.45   0.001% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  21.80 +/- 1.49   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  21.94 +/- 4.50   0.000% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.71 +/- 1.52   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.35 +/- 1.83   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.84 +/- 2.12   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.29 +/- 1.75   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  25.39 +/- 4.08   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.22 +/- 1.38   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  17.20 +/- 1.26   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  25.40 +/- 2.00   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  24.15 +/- 1.24   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  28.48 +/- 1.34   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.78 +/- 0.96   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.48 +/- 1.31   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  29.10 +/- 2.42   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  28.54 +/- 3.73   0.000% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  31.75 +/- 1.28   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.992, support = 4.72, residual support = 145.1:
    *   T HA    LYS+  33 - QD    LYS+  33   3.68 +/- 0.61  79.561% * 70.3403% (1.00 10.00   4.79 148.26) =  97.832%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.74 +/- 1.71   8.442% *  8.0499% (0.97 10.00   0.24   0.02) =   1.188%  kept
        T HA    GLN   32 - QD    LYS+  33   6.60 +/- 0.96   2.858% * 19.5572% (0.28 10.00   3.10  11.03) =   0.977%  kept
          HB2   SER   37 - QD    LYS+  33   6.41 +/- 1.12   8.253% *  0.0157% (0.22  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QD    LYS+  33   9.98 +/- 1.44   0.423% *  0.0610% (0.87  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  10.84 +/- 0.93   0.169% *  0.0547% (0.78  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  11.72 +/- 1.19   0.115% *  0.0665% (0.95  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.55 +/- 1.92   0.148% *  0.0097% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  19.62 +/- 2.48   0.013% *  0.0332% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  22.47 +/- 3.79   0.003% *  0.0631% (0.90  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.03 +/- 2.25   0.003% *  0.0596% (0.85  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.85 +/- 2.22   0.000% *  0.6083% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.03 +/- 2.01   0.000% *  0.6303% (0.90 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.42 +/- 1.17   0.001% *  0.0610% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.87 +/- 2.00   0.001% *  0.0547% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  22.28 +/- 3.75   0.004% *  0.0195% (0.28  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.61 +/- 0.97   0.001% *  0.0370% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.72 +/- 5.00   0.001% *  0.0565% (0.80  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.28 +/- 2.08   0.000% *  0.1753% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  26.73 +/- 2.71   0.001% *  0.0217% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.49 +/- 1.48   0.001% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.07 +/- 1.98   0.000% *  0.0140% (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 = 148.3:
    * O T QB    LYS+  33 - QD    LYS+  33   2.21 +/- 0.20  99.170% * 94.1852% (1.00  10.0 10.00   5.06 148.26) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   5.55 +/- 0.86   0.743% *  0.0235% (0.25   1.0  1.00   0.02   0.27) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.56 +/- 2.07   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  15.91 +/- 1.99   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.30 +/- 1.67   0.023% *  0.0478% (0.51   1.0  1.00   0.02   2.22) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.39 +/- 1.41   0.007% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  10.15 +/- 1.55   0.024% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  11.08 +/- 0.67   0.008% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.21 +/- 2.34   0.016% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.44 +/- 1.60   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.91 +/- 3.26   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  17.63 +/- 1.33   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.48 +/- 0.80   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.21 +/- 2.75   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  26.20 +/- 1.48   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.13 +/- 0.91   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  26.37 +/- 2.27   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.28 +/- 1.91   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.56 +/- 1.55   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.94 +/- 0.84   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.99 +/- 2.94   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.96 +/- 3.16   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.69 +/- 1.02   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  26.64 +/- 1.46   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.14 +/- 1.55   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.68 +/- 1.75   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.41 +/- 2.12   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.24 +/- 2.06   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 = 148.3:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.30 +/- 0.13  98.070% * 93.1714% (1.00  10.0 10.00   4.55 148.26) =  99.999%  kept
          HB3   PRO   93 - HD3   LYS+ 111  10.20 +/- 2.75   1.537% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HD3   LYS+ 111   6.62 +/- 1.06   0.332% *  0.0749% (0.80   1.0  1.00   0.02  27.98) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.10 +/- 1.65   0.003% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  11.82 +/- 2.27   0.017% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33  10.72 +/- 1.45   0.014% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.16 +/- 1.45   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.43 +/- 1.12   0.006% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.52 +/- 1.71   0.002% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  18.69 +/- 1.94   0.000% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.48 +/- 0.89   0.007% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.78 +/- 0.94   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.08 +/- 1.82   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.47 +/- 0.84   0.003% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.89 +/- 2.56   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.03 +/- 1.02   0.003% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.19 +/- 1.99   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  21.84 +/- 2.46   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.16 +/- 1.63   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.67 +/- 2.21   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  19.07 +/- 2.94   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.25 +/- 2.06   0.000% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  19.87 +/- 3.00   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.28 +/- 2.41   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.60 +/- 2.44   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.66 +/- 2.03   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.26 +/- 1.21   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.60 +/- 0.91   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.39 +/- 4.77   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.44 +/- 1.80   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 = 4.19, residual support = 148.3:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.02  99.929% * 96.5704% (1.00  10.0 10.00   4.19 148.26) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.61 +/- 1.52   0.019% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   8.08 +/- 0.63   0.037% *  0.0329% (0.34   1.0  1.00   0.02   1.47) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  17.69 +/- 2.05   0.000% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.14 +/- 2.07   0.014% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.49 +/- 1.98   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  18.78 +/- 1.31   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.89 +/- 3.01   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.68 +/- 2.24   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.97 +/- 5.75   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  23.12 +/- 3.45   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.10 +/- 3.01   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  22.36 +/- 1.45   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.59 +/- 2.39   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.04 +/- 2.34   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.74 +/- 2.06   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.989, support = 5.4, residual support = 146.3:
    *   T HA    LYS+  33 - QE    LYS+  33   3.89 +/- 0.80  67.394% * 76.3050% (1.00 10.00   5.44 148.26) =  98.562%  kept
        T HA    GLN   32 - QE    LYS+  33   6.75 +/- 0.97   3.199% * 21.2156% (0.28 10.00   3.25  11.03) =   1.301%  kept
        T HA    GLU-  29 - QE    LYS+  33   7.01 +/- 1.69   9.229% *  0.7364% (0.97 10.00   0.02   0.02) =   0.130%
          HB2   SER   37 - QE    LYS+  33   6.74 +/- 1.84  14.887% *  0.0170% (0.22  1.00   0.02   0.02) =   0.005%
          HA    VAL   18 - QE    LYS+  65   9.19 +/- 1.83   1.578% *  0.0371% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.64 +/- 1.81   0.369% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   7.82 +/- 1.55   2.584% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  12.49 +/- 1.53   0.128% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.79 +/- 1.18   0.258% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.60 +/- 1.63   0.070% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  13.39 +/- 1.00   0.062% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.90 +/- 1.58   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  23.59 +/- 1.81   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  19.24 +/- 1.23   0.006% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.03 +/- 2.56   0.024% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  14.07 +/- 1.19   0.044% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  23.02 +/- 3.80   0.004% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  23.67 +/- 1.28   0.002% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  24.10 +/- 1.44   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  13.46 +/- 0.76   0.051% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.10 +/- 1.64   0.071% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.22 +/- 1.73   0.001% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.26 +/- 1.33   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.87 +/- 1.46   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.73 +/- 1.56   0.011% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  23.34 +/- 1.53   0.002% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  26.12 +/- 2.63   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  21.41 +/- 0.78   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  27.33 +/- 3.10   0.001% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.34 +/- 1.35   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.26 +/- 1.61   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  27.19 +/- 1.69   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  24.77 +/- 1.27   0.001% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.17 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 148.3:
    *   T QB    LYS+  33 - QE    LYS+  33   2.77 +/- 0.60  97.531% * 97.9499% (1.00 10.00   5.63 148.26) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.28 +/- 0.89   1.886% *  0.0244% (0.25  1.00   0.02   0.27) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.34 +/- 1.97   0.109% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.98 +/- 1.07   0.193% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.35 +/- 1.34   0.063% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.82 +/- 1.42   0.003% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  11.82 +/- 2.03   0.071% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  13.71 +/- 1.83   0.012% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.11 +/- 2.31   0.006% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.34 +/- 1.58   0.036% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.46 +/- 1.00   0.013% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  19.27 +/- 1.17   0.002% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.14 +/- 1.00   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  14.36 +/- 1.94   0.013% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.75 +/- 0.85   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.27 +/- 0.91   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.86 +/- 1.03   0.002% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  20.66 +/- 1.28   0.001% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  22.52 +/- 2.92   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  15.84 +/- 1.49   0.006% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.34 +/- 2.63   0.023% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  17.57 +/- 1.12   0.003% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.61 +/- 1.20   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.88 +/- 0.93   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.05 +/- 1.94   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  18.42 +/- 1.71   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  27.29 +/- 1.75   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  23.81 +/- 2.11   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.52 +/- 1.68   0.006% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.49 +/- 1.37   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  16.56 +/- 1.34   0.005% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.96 +/- 1.83   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.37 +/- 1.53   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.93 +/- 3.12   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.75 +/- 1.44   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  23.60 +/- 1.11   0.000% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  24.39 +/- 1.25   0.000% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.89 +/- 1.40   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.47 +/- 1.79   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.34 +/- 1.30   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  28.17 +/- 1.07   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.08 +/- 1.48   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.707, support = 4.58, residual support = 158.6:
      O T HG3   LYS+  65 - QE    LYS+  65   2.23 +/- 0.29  74.030% * 32.5421% (0.51  10.0 10.00   4.27 165.66) =  59.681%  kept
    * O T HG3   LYS+  33 - QE    LYS+  33   2.85 +/- 0.51  25.482% * 63.8684% (1.00  10.0 10.00   5.05 148.26) =  40.318%  kept
          HB2   LEU   80 - HB2   ASP-  76   6.13 +/- 0.73   0.304% *  0.0015% (0.02   1.0  1.00   0.02   2.63) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  11.51 +/- 1.31   0.007% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  33  11.94 +/- 2.22   0.007% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.61 +/- 1.53   0.000% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.86 +/- 1.19   0.075% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  19.39 +/- 2.09   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  13.25 +/- 1.48   0.002% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.64 +/- 0.75   0.064% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.06 +/- 0.90   0.004% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.94 +/- 1.20   0.003% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.50 +/- 1.07   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  20.53 +/- 1.85   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.65 +/- 2.21   0.005% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.18 +/- 0.65   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  11.50 +/- 0.70   0.004% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  14.45 +/- 2.04   0.001% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  15.23 +/- 1.63   0.001% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  14.21 +/- 1.32   0.001% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.57 +/- 1.66   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.79 +/- 1.56   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.73 +/- 1.18   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.49 +/- 1.12   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  21.37 +/- 1.73   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  21.80 +/- 1.49   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.59 +/- 1.27   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.52 +/- 0.83   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.31 +/- 0.98   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  16.85 +/- 1.11   0.000% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.79 +/- 1.51   0.000% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  20.78 +/- 2.26   0.000% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.53 +/- 2.93   0.000% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  28.48 +/- 1.34   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.97 +/- 1.13   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  18.74 +/- 0.95   0.000% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  23.05 +/- 1.62   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  20.43 +/- 1.59   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  23.30 +/- 2.57   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  29.42 +/- 1.45   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.48 +/- 1.76   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.96 +/- 1.84   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  21.63 +/- 2.19   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  19.82 +/- 1.59   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  26.55 +/- 1.80   0.000% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 148.3:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.02  99.808% * 97.4730% (1.00  10.0 10.00   4.19 148.26) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.00 +/- 1.04   0.045% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.25 +/- 1.68   0.132% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  17.69 +/- 2.05   0.000% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.44 +/- 1.83   0.006% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  13.32 +/- 1.84   0.002% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.49 +/- 1.98   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  11.95 +/- 0.89   0.003% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.90 +/- 1.52   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  18.78 +/- 1.31   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.89 +/- 3.01   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.68 +/- 2.24   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.96 +/- 1.29   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.45 +/- 1.57   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.72 +/- 3.43   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  14.77 +/- 1.67   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.70 +/- 1.90   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.01 +/- 1.74   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.801, support = 1.93, residual support = 25.4:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.01  73.343% * 97.6840% (0.80  10.0 10.00   1.93  25.50) =  99.366%  kept
          QG2   THR   39 - HA    ALA   34   3.21 +/- 1.21  26.599% *  1.7173% (0.25   1.0  1.00   1.13   2.21) =   0.634%  kept
          HG3   LYS+  38 - HA    ALA   34   7.10 +/- 0.38   0.056% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  14.84 +/- 0.70   0.001% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.87 +/- 2.15   0.000% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.19 +/- 1.33   0.000% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  16.80 +/- 1.13   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  16.41 +/- 2.28   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  19.35 +/- 0.60   0.000% *  0.0242% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.61 +/- 1.39   0.000% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  21.73 +/- 2.84   0.000% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.41 +/- 1.44   0.000% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.78 +/- 0.94   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.11 +/- 1.44   0.000% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.01  99.342% * 98.8230% (0.80  10.0 10.00   1.93  25.50) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   5.75 +/- 1.20   0.436% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.71 +/- 0.33   0.103% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.61 +/- 0.02   0.108% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.77 +/- 0.22   0.010% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.87 +/- 2.15   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.38 +/- 0.68   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.13 +/- 1.11   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.71 +/- 0.86   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  21.94 +/- 2.62   0.000% *  0.0245% (0.20   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 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 = 55.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.75 +/- 0.07  99.667% * 98.4270% (1.00  10.0 10.00   4.04  55.59) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40  10.52 +/- 0.96   0.037% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.75 +/- 0.87   0.119% *  0.0336% (0.34   1.0  1.00   0.02   1.47) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  13.12 +/- 0.42   0.009% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.11 +/- 1.67   0.071% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.69 +/- 0.63   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  11.55 +/- 1.31   0.026% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  11.67 +/- 2.14   0.041% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  18.80 +/- 1.16   0.001% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.45 +/- 0.92   0.013% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  20.04 +/- 0.59   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.97 +/- 0.79   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.24 +/- 0.84   0.004% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.22 +/- 1.52   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.08 +/- 0.90   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  23.01 +/- 1.19   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  27.75 +/- 4.29   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.17 +/- 1.14   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  26.21 +/- 3.38   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  29.49 +/- 2.91   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.67 +/- 0.89   0.000% *  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 = 5.59, residual support = 86.9:
    * O T QB    GLU-  36 - HA    GLU-  36   2.33 +/- 0.19  99.960% * 98.9106% (1.00  10.0 10.00   5.59  86.87) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.99 +/- 0.75   0.004% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36   9.64 +/- 1.51   0.034% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.78 +/- 0.77   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  28.08 +/- 2.57   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  35.60 +/- 1.50   0.000% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.9:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.96 +/- 0.77  99.996% * 99.8378% (1.00  10.0 10.00   3.62  86.87) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.15 +/- 0.94   0.003% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.97 +/- 1.11   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  31.36 +/- 3.94   0.000% *  0.0175% (0.18   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 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.9:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.56 +/- 0.17  99.990% * 99.2256% (1.00  10.0 10.00   3.62  86.87) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  19.87 +/- 3.14   0.006% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  21.21 +/- 0.82   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.91 +/- 1.52   0.001% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  28.13 +/- 2.06   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  33.10 +/- 1.05   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.66 +/- 1.95   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.9:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.96 +/- 0.77  99.998% * 99.7630% (1.00  10.0 10.00   3.62  86.87) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  27.39 +/- 3.12   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.57 +/- 2.01   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  32.84 +/- 3.43   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  33.16 +/- 1.60   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.9:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.45 +/- 0.09  99.972% * 98.9106% (1.00  10.0 10.00   4.30  86.87) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  12.11 +/- 1.17   0.008% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.26 +/- 1.41   0.016% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  14.02 +/- 1.21   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  27.54 +/- 2.73   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  35.65 +/- 1.90   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.9:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 99.2256% (1.00  10.0 10.00   3.00  86.87) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  18.16 +/- 3.58   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  20.72 +/- 1.18   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  27.54 +/- 2.38   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.69 +/- 1.78   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  33.40 +/- 1.20   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.80 +/- 2.24   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 = 86.9:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.56 +/- 0.17  99.985% * 99.6097% (1.00  10.0 10.00   3.62  86.87) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  19.87 +/- 3.14   0.006% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  27.60 +/- 3.06   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.47 +/- 2.04   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  32.03 +/- 3.54   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.58 +/- 2.21   0.005% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.66 +/- 1.82   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.71 +/- 3.02   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  33.38 +/- 2.97   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.69 +/- 0.90   0.000% *  0.0065% (0.07   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.9:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.32 +/- 0.12  99.970% * 99.4418% (1.00  10.0  1.00   4.30  86.87) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.18 +/- 1.19   0.011% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.56 +/- 1.65   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  13.11 +/- 1.19   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  16.59 +/- 2.96   0.002% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  27.64 +/- 3.17   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  26.70 +/- 2.88   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  20.50 +/- 3.29   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  21.95 +/- 3.41   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.97 +/- 1.89   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  36.30 +/- 1.48   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.21 +/- 2.46   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.9:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 99.6937% (1.00  10.0 10.00   3.00  86.87) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  18.16 +/- 3.58   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  19.86 +/- 1.64   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.72 +/- 2.09   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.54 +/- 1.57   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  30.65 +/- 3.90   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  28.67 +/- 1.98   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  34.63 +/- 4.24   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 = 2.55, residual support = 27.7:
    * O T HB2   SER   37 - HA    SER   37   2.62 +/- 0.17  98.606% * 98.0025% (1.00  10.0 10.00   2.55  27.70) =  99.999%  kept
          HA    VAL   70 - HA    SER   37   9.44 +/- 1.40   0.624% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   37   6.00 +/- 0.20   0.726% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  14.23 +/- 1.88   0.005% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.95 +/- 0.74   0.022% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  16.40 +/- 1.70   0.004% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.43 +/- 1.02   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  14.25 +/- 1.25   0.005% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  15.91 +/- 1.17   0.002% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.48 +/- 0.88   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  16.24 +/- 2.49   0.003% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.21 +/- 0.46   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.53 +/- 1.54   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.87 +/- 0.93   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.05 +/- 1.25   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.567, support = 2.21, residual support = 16.6:
      O T QB    SER   13 - HA    SER   13   2.45 +/- 0.13  73.596% * 28.4793% (0.35  10.0 10.00   1.93   7.46) =  54.696%  kept
    * O T HB3   SER   37 - HA    SER   37   2.96 +/- 0.17  25.227% * 68.8149% (0.84  10.0 10.00   2.55  27.70) =  45.302%  kept
          HB    THR   39 - HA    SER   37   5.33 +/- 0.97   1.145% *  0.0566% (0.69   1.0  1.00   0.02   2.30) =   0.002%
        T QB    SER   13 - HA    SER   37  14.02 +/- 2.46   0.004% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.65 +/- 1.52   0.019% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.84 +/- 1.87   0.002% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.67 +/- 0.99   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.01 +/- 2.25   0.003% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.94 +/- 0.95   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.84 +/- 1.87   0.002% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.51 +/- 1.37   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.58 +/- 1.23   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.50 +/- 0.76   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.63 +/- 1.11   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.99 +/- 2.96   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  31.16 +/- 4.10   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.46 +/- 2.99   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.90 +/- 2.87   0.000% *  0.0150% (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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.55, residual support = 27.7:
    * O T HA    SER   37 - HB2   SER   37   2.62 +/- 0.17  99.777% * 98.1694% (1.00  10.0 10.00   2.55  27.70) = 100.000%  kept
          HA    LEU   40 - HB2   SER   37   7.99 +/- 0.67   0.188% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  14.23 +/- 1.88   0.005% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.92 +/- 1.16   0.017% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.02 +/- 0.83   0.010% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.90 +/- 1.01   0.003% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.43 +/- 1.02   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.15 +/- 1.09   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 27.7:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  94.220% * 98.8953% (0.84  10.0 10.00   2.00  27.70) =  99.995%  kept
          HB    THR   39 - HB2   SER   37   3.35 +/- 1.05   5.778% *  0.0813% (0.69   1.0  1.00   0.02   2.30) =   0.005%
        T QB    SER   13 - HB2   SER   37  12.88 +/- 2.18   0.001% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  21.82 +/- 1.31   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  30.07 +/- 2.88   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  29.46 +/- 3.95   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 = 0.571, support = 2.21, residual support = 16.4:
      O T HA    SER   13 - QB    SER   13   2.45 +/- 0.13  74.216% * 29.4827% (0.36  10.0 10.00   1.93   7.46) =  55.863%  kept
    * O T HA    SER   37 - HB3   SER   37   2.96 +/- 0.17  25.405% * 68.0513% (0.84  10.0 10.00   2.55  27.70) =  44.137%  kept
          HA    GLU-  15 - QB    SER   13   6.49 +/- 0.65   0.263% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.02 +/- 2.46   0.004% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   7.81 +/- 0.57   0.080% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.77 +/- 1.10   0.016% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.84 +/- 1.87   0.002% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.48 +/- 1.29   0.006% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.54 +/- 0.64   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.16 +/- 1.10   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.94 +/- 0.95   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.51 +/- 1.37   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.88 +/- 1.54   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.65 +/- 1.34   0.000% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.19 +/- 1.30   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.31 +/- 1.05   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 27.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.702% * 98.1382% (0.84  10.0 10.00   2.00  27.70) = 100.000%  kept
        T HA    VAL   70 - HB3   SER   37   7.69 +/- 1.12   0.025% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   4.79 +/- 0.35   0.266% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.88 +/- 2.18   0.001% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.72 +/- 1.61   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.49 +/- 0.78   0.005% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  14.88 +/- 1.27   0.000% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  15.07 +/- 2.71   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.78 +/- 1.31   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.80 +/- 1.32   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 = 6.88, residual support = 221.6:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.86 +/- 0.19  97.523% * 99.6880% (1.00  10.0 10.00   6.88 221.56) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   5.84 +/- 1.17   2.393% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.45 +/- 0.78   0.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.52 +/- 0.89   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.75 +/- 0.64   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.17 +/- 1.23   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  11.16 +/- 1.03   0.030% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.25 +/- 0.49   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.67 +/- 1.42   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.13 +/- 1.36   0.005% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.56 +/- 1.34   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  32.71 +/- 1.23   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.62 +/- 1.21   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  30.73 +/- 0.89   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 221.6:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.67 +/- 0.14  93.448% * 98.2125% (1.00  10.0 10.00   5.87 221.56) =  99.996%  kept
        T HB3   LYS+  38 - HA    GLU- 100   4.94 +/- 1.30   6.214% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HA    LYS+  38   7.78 +/- 0.39   0.160% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.01 +/- 0.75   0.020% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.49 +/- 1.54   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100   9.02 +/- 1.11   0.081% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  10.80 +/- 1.35   0.030% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.81 +/- 0.68   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.06 +/- 0.63   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.49 +/- 1.03   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.25 +/- 0.81   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.89 +/- 0.23   0.021% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.66 +/- 0.37   0.006% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.11 +/- 0.99   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.32 +/- 1.03   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.15 +/- 0.57   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.34 +/- 0.78   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.10 +/- 0.72   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  29.28 +/- 3.26   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  15.99 +/- 1.80   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  32.35 +/- 1.34   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.27 +/- 0.90   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.07 +/- 0.85   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  28.10 +/- 3.08   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  30.36 +/- 1.10   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.91 +/- 0.91   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 = 6.88, residual support = 221.5:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.62 +/- 0.61  90.571% * 98.4430% (1.00  10.0 10.00   6.89 221.56) =  99.987%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.45 +/- 0.82   0.716% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - HA    GLU- 100   4.80 +/- 0.28   5.001% *  0.0583% (0.06   1.0 10.00   0.02  39.57) =   0.003%
        T HG2   LYS+  38 - HA    GLU- 100   5.34 +/- 1.67   2.359% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    LYS+  38  10.34 +/- 0.59   0.049% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.32 +/- 1.61   0.088% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.63 +/- 1.60   1.111% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.71 +/- 1.22   0.092% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.19 +/- 0.77   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.34 +/- 0.70   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.37 +/- 2.04   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  21.87 +/- 0.73   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  27.85 +/- 2.74   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.44 +/- 2.09   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  28.00 +/- 4.45   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  16.96 +/- 0.86   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.77 +/- 0.80   0.002% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.42 +/- 1.71   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  20.48 +/- 0.96   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  26.10 +/- 2.42   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.05 +/- 2.09   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  26.68 +/- 4.37   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 1 structures by 0.14 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.52, residual support = 217.4:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.03 +/- 0.68  58.699% * 80.9129% (1.00  10.0 10.00   6.56 221.56) =  97.847%  kept
          QG2   THR   39 - HA    LYS+  38   4.81 +/- 0.74   5.641% * 18.3422% (0.90   1.0  1.00   5.06  27.84) =   2.132%  kept
          QB    ALA   34 - HA    LYS+  38   4.51 +/- 0.43   7.902% *  0.0648% (0.80   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+  38 - HA    GLU- 100   5.52 +/- 1.70   4.029% *  0.0489% (0.06   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - HA    LYS+  38   6.80 +/- 0.93   0.606% *  0.3037% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    GLU- 100   4.26 +/- 1.02  16.790% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   5.32 +/- 0.57   2.904% *  0.0183% (0.02   1.0 10.00   0.02  39.57) =   0.001%
          QG2   THR   39 - HA    GLU- 100   5.28 +/- 0.77   3.182% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.23 +/- 0.96   0.120% *  0.0250% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  14.24 +/- 0.84   0.007% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100   9.61 +/- 1.37   0.107% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.15 +/- 0.82   0.001% *  0.0363% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.76 +/- 1.06   0.001% *  0.0765% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.69 +/- 1.57   0.000% *  0.0726% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.69 +/- 1.07   0.001% *  0.0276% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  14.59 +/- 1.07   0.006% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  19.25 +/- 0.94   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  17.42 +/- 1.34   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.94 +/- 1.63   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.66 +/- 0.94   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.99, residual support = 221.5:
    *   T QD    LYS+  38 - HA    LYS+  38   3.56 +/- 0.45  78.901% * 97.0123% (1.00 10.00   5.99 221.56) =  99.985%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.09 +/- 1.67  18.712% *  0.0586% (0.06 10.00   0.02   0.02) =   0.014%
          QD    LYS+ 102 - HA    LYS+  38   9.98 +/- 1.28   0.350% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.80 +/- 0.91   1.996% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.04 +/- 1.42   0.004% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.64 +/- 1.30   0.002% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.23 +/- 1.39   0.006% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  27.80 +/- 3.24   0.000% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  19.91 +/- 1.38   0.004% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  20.59 +/- 2.32   0.003% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  29.44 +/- 1.69   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.63 +/- 1.57   0.004% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.32 +/- 1.21   0.011% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  26.32 +/- 3.02   0.001% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.29 +/- 0.79   0.000% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  19.45 +/- 1.82   0.004% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.91 +/- 0.62   0.001% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.06 +/- 1.73   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.25 +/- 0.49   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.64 +/- 0.65   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.16 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.88, residual support = 221.6:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.86 +/- 0.19  97.604% * 99.6785% (1.00  10.0 10.00   6.88 221.56) =  99.995%  kept
        T HA    GLU- 100 - HB2   LYS+  38   5.84 +/- 1.17   2.395% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HB2   LYS+  38  19.30 +/- 1.21   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.14 +/- 1.73   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  31.11 +/- 3.50   0.000% *  0.0197% (0.20   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 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 = 5.75, residual support = 221.6:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.991% * 98.9214% (1.00  10.0 10.00   5.75 221.56) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.58 +/- 0.37   0.007% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  12.86 +/- 0.92   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.36 +/- 1.97   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.02 +/- 1.03   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  15.99 +/- 0.60   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.16 +/- 1.74   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  34.65 +/- 1.63   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.87 +/- 1.76   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.43 +/- 1.75   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.63 +/- 1.20   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  31.18 +/- 3.02   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  32.99 +/- 1.77   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 221.6:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.64 +/- 0.19  99.775% * 98.5858% (1.00  10.0 10.00   6.76 221.56) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.76 +/- 0.73   0.199% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.51 +/- 0.58   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  12.71 +/- 1.58   0.014% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.53 +/- 1.69   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.75 +/- 2.41   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.26 +/- 1.53   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  23.66 +/- 0.88   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  29.87 +/- 2.94   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.39 +/- 2.52   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  30.15 +/- 4.07   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 221.6:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.39  97.345% * 99.1122% (1.00  10.0 10.00   6.04 221.56) =  99.997%  kept
        T HG3   LYS+  99 - HB2   LYS+  38   8.04 +/- 1.03   0.375% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  38   5.78 +/- 0.45   1.449% *  0.0889% (0.90   1.0  1.00   0.02  27.84) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.39 +/- 0.40   0.760% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.33 +/- 1.20   0.062% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  15.22 +/- 1.51   0.006% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.26 +/- 1.68   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.81 +/- 0.98   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.47 +/- 1.84   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.58 +/- 1.78   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 221.5:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.67 +/- 0.14  93.768% * 99.5407% (1.00  10.0 10.00   5.87 221.56) =  99.985%  kept
        T HA    GLU- 100 - HB3   LYS+  38   4.94 +/- 1.30   6.231% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL   24 - HB3   LYS+  38  19.34 +/- 1.11   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.34 +/- 1.41   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  30.97 +/- 3.50   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 221.6:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.997% * 99.2933% (1.00  10.0 10.00   5.75 221.56) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.65 +/- 1.22   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.90 +/- 0.83   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  17.07 +/- 0.59   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.80 +/- 1.49   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  34.48 +/- 1.34   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.61 +/- 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 = 221.5:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.99 +/- 0.06  98.348% * 98.5858% (1.00  10.0 10.00   5.63 221.56) =  99.984%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.19 +/- 0.70   1.580% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.016%
          HB2   LEU   31 - HB3   LYS+  38  12.85 +/- 0.49   0.016% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  11.79 +/- 1.65   0.048% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.70 +/- 1.36   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.53 +/- 2.30   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.66 +/- 1.17   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  23.32 +/- 0.73   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  29.50 +/- 2.81   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.19 +/- 2.41   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  30.10 +/- 4.13   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 221.6:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.70 +/- 0.14  97.272% * 98.2829% (1.00  10.0 10.00   5.28 221.56) =  99.995%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.49 +/- 0.96   0.877% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HB3   LYS+  38   5.73 +/- 0.42   1.253% *  0.0881% (0.90   1.0  1.00   0.02  27.84) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.46 +/- 0.31   0.560% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  10.55 +/- 1.09   0.033% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.54 +/- 1.40   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  15.48 +/- 1.22   0.003% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.03 +/- 0.88   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.07 +/- 1.70   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.22 +/- 1.58   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 = 221.6:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.20 +/- 0.13  99.986% * 98.0597% (1.00  10.0 10.00   4.63 221.56) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  10.40 +/- 1.14   0.013% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.18 +/- 1.70   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.01 +/- 1.69   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.09 +/- 1.36   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  19.96 +/- 2.62   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.06 +/- 2.01   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  29.88 +/- 3.01   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.50 +/- 1.26   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.35 +/- 0.97   0.000% *  0.0218% (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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.89, residual support = 221.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.62 +/- 0.61  91.749% * 99.3217% (1.00  10.0 10.00   6.89 221.56) =  99.989%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.34 +/- 1.67   2.411% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - HG2   LYS+  99   4.80 +/- 0.28   5.108% *  0.0603% (0.06   1.0 10.00   0.02  39.57) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   6.45 +/- 0.82   0.729% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   LYS+  38  19.01 +/- 0.77   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.31 +/- 1.53   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.65 +/- 1.50   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  30.75 +/- 3.99   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.47 +/- 0.66   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  28.98 +/- 3.55   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 221.6:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.64 +/- 0.19  99.720% * 99.4277% (1.00  10.0 10.00   6.76 221.56) =  99.999%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.76 +/- 0.73   0.199% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   LYS+  38  13.12 +/- 1.74   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.66 +/- 1.01   0.054% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.74 +/- 0.84   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.98 +/- 0.65   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.45 +/- 1.66   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.87 +/- 0.60   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.52 +/- 1.41   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.51 +/- 1.28   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.97 +/- 1.30   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.82 +/- 1.16   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  34.79 +/- 1.48   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  31.20 +/- 0.64   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 221.6:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.99 +/- 0.06  98.044% * 98.9095% (1.00  10.0 10.00   5.63 221.56) =  99.996%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.19 +/- 0.70   1.575% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HG2   LYS+  38   8.75 +/- 0.40   0.166% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  12.83 +/- 0.63   0.016% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.20 +/- 0.35   0.064% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.13 +/- 0.84   0.041% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  13.83 +/- 1.26   0.013% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.57 +/- 0.55   0.019% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.09 +/- 0.96   0.026% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.48 +/- 2.41   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.35 +/- 1.22   0.006% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  17.79 +/- 1.02   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.70 +/- 1.82   0.016% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.19 +/- 1.41   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  28.15 +/- 1.43   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.61 +/- 0.88   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.42 +/- 1.02   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.07 +/- 1.63   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.83 +/- 0.64   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.88 +/- 0.57   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  30.97 +/- 3.46   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  34.42 +/- 1.57   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  29.55 +/- 2.92   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  33.33 +/- 1.55   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  30.93 +/- 0.86   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.79 +/- 0.86   0.000% *  0.0075% (0.08   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 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 = 6.35, residual support = 216.9:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.926% * 89.3422% (1.00  10.0 10.00   6.32 221.56) =  90.720%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.926% *  9.1383% (0.10  10.0 10.00   6.60 171.45) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.62 +/- 1.19   0.014% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.36 +/- 0.83   0.036% *  0.0801% (0.90   1.0  1.00   0.02  27.84) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.20 +/- 0.90   0.006% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.30 +/- 0.39   0.025% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.46 +/- 0.96   0.050% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.25 +/- 0.92   0.014% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.03 +/- 1.19   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.22 +/- 1.13   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.88 +/- 1.35   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.73 +/- 1.60   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.08 +/- 1.08   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  15.66 +/- 1.09   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.48 +/- 1.49   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.67 +/- 0.90   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.04 +/- 0.91   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.45 +/- 1.75   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  19.57 +/- 1.22   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.15 +/- 1.31   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 221.6:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.36 +/- 0.18  99.349% * 96.4250% (1.00  10.0 10.00   5.75 221.56) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.11 +/- 0.92   0.475% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   7.59 +/- 0.94   0.150% *  0.2104% (0.22   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  10.74 +/- 1.52   0.017% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.41 +/- 2.09   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.35 +/- 1.21   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.58 +/- 1.29   0.005% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.67 +/- 1.56   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.95 +/- 1.64   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  19.77 +/- 1.76   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  15.45 +/- 1.69   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  21.94 +/- 2.66   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.83 +/- 1.80   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.34 +/- 2.12   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  29.77 +/- 3.49   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.39 +/- 1.31   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.30 +/- 0.60   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  27.89 +/- 3.20   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.00 +/- 1.02   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.22 +/- 0.46   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 = 6.56, residual support = 221.5:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.03 +/- 0.68  86.942% * 99.5416% (1.00  10.0 10.00   6.56 221.56) =  99.983%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.52 +/- 1.70   5.276% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.014%
        T HA    GLU- 100 - HG3   LYS+  99   5.32 +/- 0.57   6.557% *  0.0231% (0.02   1.0 10.00   0.02  39.57) =   0.002%
        T HA    LYS+  38 - HG3   LYS+  99   6.80 +/- 0.93   1.219% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  19.66 +/- 1.08   0.002% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  18.42 +/- 1.63   0.003% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  31.34 +/- 3.78   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.81 +/- 1.52   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.23 +/- 1.08   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  28.93 +/- 3.66   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 221.6:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.39  99.494% * 99.6340% (1.00  10.0 10.00   6.04 221.56) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.04 +/- 1.03   0.401% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.24 +/- 1.56   0.025% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.55 +/- 1.22   0.071% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.55 +/- 0.80   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.79 +/- 0.63   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.79 +/- 1.59   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.62 +/- 0.68   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.76 +/- 1.38   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.50 +/- 1.43   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.21 +/- 1.32   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  35.22 +/- 1.54   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.00 +/- 1.24   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  31.08 +/- 1.09   0.000% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 221.6:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.70 +/- 0.14  98.913% * 98.2474% (1.00  10.0 10.00   5.28 221.56) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.49 +/- 0.96   0.901% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.47 +/- 0.36   0.056% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  13.54 +/- 0.66   0.006% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.83 +/- 1.01   0.031% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.15 +/- 0.43   0.037% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.35 +/- 1.49   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.39 +/- 0.68   0.012% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.87 +/- 1.33   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.32 +/- 1.70   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.02 +/- 1.49   0.007% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.41 +/- 2.25   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.32 +/- 1.11   0.014% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.06 +/- 1.78   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.39 +/- 1.22   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.53 +/- 2.04   0.012% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.74 +/- 1.42   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.16 +/- 1.67   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  31.52 +/- 3.39   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.56 +/- 1.06   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.74 +/- 0.70   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  34.86 +/- 1.70   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  33.61 +/- 1.74   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  29.52 +/- 2.85   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  30.83 +/- 1.23   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  28.59 +/- 1.28   0.000% *  0.0029% (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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.35, residual support = 216.9:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.985% * 89.3736% (1.00  10.0 10.00   6.32 221.56) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.985% *  9.1415% (0.10  10.0 10.00   6.60 171.45) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.62 +/- 1.19   0.014% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.20 +/- 0.90   0.006% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.60 +/- 0.93   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.61 +/- 1.83   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.39 +/- 1.25   0.008% *  0.0014% (0.02   1.0  1.00   0.02  16.67) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.95 +/- 1.05   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.23 +/- 1.44   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.43 +/- 1.92   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.94 +/- 2.17   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.75 +/- 2.40   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.81 +/- 1.11   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.81 +/- 1.37   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.99 +/- 1.09   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.21 +/- 0.89   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  29.88 +/- 2.85   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.43 +/- 2.09   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  30.57 +/- 4.49   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  20.81 +/- 0.77   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  26.93 +/- 2.38   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  28.32 +/- 4.29   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 = 5.3, residual support = 221.6:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.38 +/- 0.16  99.321% * 97.6899% (1.00  10.0 10.00   5.30 221.56) =  99.999%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.34 +/- 0.78   0.449% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   7.67 +/- 1.25   0.197% *  0.0816% (0.08   1.0 10.00   0.02   1.77) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  10.60 +/- 1.59   0.017% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.56 +/- 2.10   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.21 +/- 1.48   0.009% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.18 +/- 1.25   0.001% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  23.13 +/- 1.34   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  19.56 +/- 1.56   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  15.06 +/- 2.10   0.004% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.66 +/- 2.40   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.88 +/- 1.55   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.37 +/- 1.86   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.53 +/- 1.97   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  30.36 +/- 3.29   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.65 +/- 1.47   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.07 +/- 0.99   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.30 +/- 1.36   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  27.82 +/- 3.22   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.06 +/- 0.69   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 221.4:
    *   T HA    LYS+  38 - QD    LYS+  38   3.56 +/- 0.45  80.663% * 98.6212% (1.00 10.00   5.99 221.56) =  99.948%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.09 +/- 1.67  18.848% *  0.2196% (0.22 10.00   0.02   0.02) =   0.052%
        T HD2   PRO   58 - QD    LYS+  65  10.56 +/- 1.22   0.232% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.38 +/- 0.49   0.058% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.00 +/- 0.64   0.117% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.04 +/- 1.42   0.004% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  16.21 +/- 1.71   0.014% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.64 +/- 1.30   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  18.30 +/- 0.94   0.006% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.63 +/- 1.57   0.004% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  19.91 +/- 1.38   0.004% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.47 +/- 1.73   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  28.51 +/- 3.64   0.000% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  19.40 +/- 1.46   0.005% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.28 +/- 1.75   0.032% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  25.31 +/- 1.29   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.44 +/- 1.69   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  24.44 +/- 5.64   0.006% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.06 +/- 1.73   0.001% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  24.43 +/- 2.17   0.001% *  0.0048% (0.05  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 = 5.38, residual support = 221.6:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.89 +/- 0.40  92.994% * 99.6020% (1.00  10.0   5.38 221.56) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   6.47 +/- 2.03   6.545% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  11.79 +/- 1.77   0.098% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74   9.45 +/- 1.58   0.228% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.13 +/- 1.05   0.075% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.79 +/- 0.78   0.003% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.24 +/- 0.53   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.02 +/- 1.58   0.022% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.22 +/- 1.61   0.003% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.68 +/- 0.73   0.007% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.50 +/- 0.93   0.003% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.50 +/- 1.37   0.004% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.20 +/- 0.58   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  17.01 +/- 0.62   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.64 +/- 3.49   0.005% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.57 +/- 1.97   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.34 +/- 1.57   0.001% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  23.28 +/- 2.05   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  31.70 +/- 1.56   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.03 +/- 1.47   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  22.15 +/- 1.70   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  22.79 +/- 1.51   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.96 +/- 1.87   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.40 +/- 1.94   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.32 +/- 2.12   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.97 +/- 2.06   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  29.95 +/- 2.45   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.58 +/- 1.94   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.6:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.20 +/- 0.13  99.774% * 98.4611% (1.00  10.0 10.00   4.63 221.56) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.58 +/- 0.39   0.016% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.59 +/- 1.29   0.053% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.16 +/- 1.53   0.008% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.49 +/- 1.86   0.038% *  0.0072% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.02 +/- 1.92   0.058% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.08 +/- 0.76   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.06 +/- 0.97   0.004% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.37 +/- 1.11   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.43 +/- 2.33   0.004% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.84 +/- 1.03   0.003% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.17 +/- 1.21   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.30 +/- 2.20   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.63 +/- 1.10   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.18 +/- 1.70   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.64 +/- 1.19   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.41 +/- 1.53   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  14.24 +/- 1.49   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.99 +/- 1.27   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.84 +/- 0.55   0.002% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.09 +/- 1.36   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.86 +/- 1.47   0.004% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  15.55 +/- 1.28   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.48 +/- 1.59   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.61 +/- 1.34   0.000% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.46 +/- 1.40   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.79 +/- 0.91   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  25.10 +/- 1.65   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.96 +/- 1.47   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.17 +/- 1.81   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.95 +/- 1.65   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.29 +/- 2.52   0.002% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  25.81 +/- 1.80   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.77 +/- 1.50   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.11 +/- 1.02   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.57 +/- 1.14   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.01 +/- 3.27   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.86 +/- 1.35   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.40 +/- 1.22   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  28.67 +/- 3.01   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.06 +/- 2.01   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  20.10 +/- 1.27   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.29 +/- 1.28   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.15 +/- 1.80   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  31.40 +/- 1.61   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.05 +/- 1.71   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.07 +/- 0.94   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.23 +/- 1.68   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  24.10 +/- 3.23   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.42 +/- 1.87   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.27 +/- 1.70   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  26.40 +/- 2.22   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.986, support = 5.76, residual support = 222.9:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.36 +/- 0.18  78.627% * 91.2181% (1.00  10.0 10.00   5.75 221.56) =  98.518%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   3.00 +/- 0.04  19.556% *  5.4974% (0.06  10.0 10.00   6.21 315.02) =   1.477%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.11 +/- 0.92   0.379% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HD2   LYS+  74   5.47 +/- 1.01   1.100% *  0.0068% (0.07   1.0  1.00   0.02   6.00) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.60 +/- 1.47   0.202% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.18 +/- 0.74   0.063% *  0.0075% (0.08   1.0  1.00   0.02   1.82) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.23 +/- 0.75   0.004% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.62 +/- 1.30   0.023% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.24 +/- 1.94   0.014% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.35 +/- 1.21   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  18.99 +/- 1.91   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.95 +/- 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  20.16 +/- 2.40   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.11 +/- 1.29   0.007% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.41 +/- 2.09   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  13.61 +/- 1.72   0.003% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.70 +/- 2.52   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.91 +/- 1.67   0.001% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.04 +/- 2.15   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.67 +/- 1.56   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  18.16 +/- 3.22   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.75 +/- 2.77   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.18 +/- 1.62   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.96 +/- 1.53   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  17.14 +/- 1.32   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.63 +/- 1.38   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.81 +/- 1.18   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.71 +/- 0.88   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.99 +/- 1.74   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.83 +/- 1.80   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  26.94 +/- 2.71   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.36 +/- 1.72   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.90 +/- 2.26   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  27.88 +/- 4.08   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.81 +/- 1.15   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.57 +/- 1.24   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.45 +/- 1.16   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.11 +/- 1.33   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.17 +/- 1.63   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.34 +/- 2.12   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.03 +/- 1.29   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.92 +/- 4.97   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.50 +/- 1.87   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.69 +/- 2.05   0.000% *  0.0050% (0.05   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.979, support = 5.31, residual support = 220.8:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.16  74.639% * 91.1914% (1.00  10.0 10.00   5.30 221.56) =  97.704%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.91 +/- 0.15  23.429% *  6.8213% (0.07  10.0 10.00   5.54 187.17) =   2.294%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.34 +/- 0.78   0.309% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QD    LYS+  38   6.52 +/- 0.68   0.346% *  0.0818% (0.90   1.0  1.00   0.02  27.84) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.82 +/- 0.43   0.161% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.27 +/- 1.82   0.940% *  0.0065% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.73 +/- 1.39   0.051% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.20 +/- 1.88   0.007% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.04 +/- 1.15   0.012% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.79 +/- 1.10   0.025% *  0.0113% (0.12   1.0  1.00   0.02   7.69) =   0.000%
          QG2   THR   23 - HD2   LYS+  74   9.94 +/- 1.38   0.022% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.94 +/- 1.16   0.011% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.26 +/- 1.47   0.008% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.36 +/- 1.85   0.011% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.37 +/- 1.41   0.002% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.15 +/- 1.78   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.60   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.02 +/- 1.14   0.003% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.54 +/- 1.20   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.06 +/- 2.37   0.007% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.56 +/- 2.10   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.96 +/- 1.72   0.005% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.18 +/- 1.25   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.11 +/- 1.56   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.88 +/- 1.55   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.13 +/- 1.34   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.34 +/- 0.95   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.82 +/- 0.89   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.11 +/- 1.46   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.16 +/- 1.77   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.12 +/- 2.23   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  17.44 +/- 1.65   0.001% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  17.54 +/- 1.45   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.53 +/- 1.97   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.37 +/- 1.86   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.01 +/- 1.31   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.80 +/- 1.50   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  22.95 +/- 2.43   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.94 +/- 2.07   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.98 +/- 1.84   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 39.8:
    * O T HB    THR   39 - HA    THR   39   2.66 +/- 0.22  98.045% * 98.6574% (1.00  10.0 10.00   3.00  39.77) =  99.998%  kept
          HB3   SER   37 - HA    THR   39   5.27 +/- 0.51   1.896% *  0.0952% (0.97   1.0  1.00   0.02   2.30) =   0.002%
        T HB    THR   39 - HA    ILE  103  13.10 +/- 0.99   0.009% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.76 +/- 1.73   0.005% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  11.44 +/- 0.65   0.020% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.69 +/- 1.04   0.016% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.81 +/- 0.71   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.06 +/- 0.98   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.34 +/- 0.85   0.002% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.01 +/- 1.27   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.53 +/- 1.27   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  25.99 +/- 5.47   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  22.66 +/- 1.79   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.52 +/- 1.47   0.000% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  29.04 +/- 2.63   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  29.82 +/- 4.00   0.000% *  0.0824% (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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.864, support = 2.99, residual support = 39.5:
    * O T QG2   THR   39 - HA    THR   39   2.88 +/- 0.48  86.236% * 75.1540% (0.87  10.0 10.00   3.00  39.77) =  98.801%  kept
          HG3   LYS+  38 - HA    THR   39   6.37 +/- 0.86   2.613% * 18.3318% (1.00   1.0  1.00   4.24  27.84) =   0.730%  kept
          QB    ALA   34 - HA    THR   39   5.28 +/- 0.84   7.010% *  4.3738% (0.84   1.0  1.00   1.21   2.21) =   0.467%
          HG3   LYS+  99 - HA    THR   39   5.93 +/- 0.99   2.779% *  0.0296% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    THR   39   7.08 +/- 1.24   0.808% *  0.0241% (0.28   1.0  1.00   0.02   0.22) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.51 +/- 0.61   0.056% *  0.2483% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.78 +/- 0.39   0.313% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.24 +/- 0.58   0.112% *  0.0239% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  11.70 +/- 0.97   0.030% *  0.0456% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.02 +/- 1.04   0.002% *  0.4217% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  17.47 +/- 1.72   0.003% *  0.2483% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  17.44 +/- 1.47   0.003% *  0.1393% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.53 +/- 1.40   0.014% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.70 +/- 1.30   0.000% *  0.7515% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  14.85 +/- 0.67   0.006% *  0.0276% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.65 +/- 1.01   0.002% *  0.0836% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.11 +/- 0.95   0.008% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.58 +/- 1.29   0.002% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.62 +/- 0.71   0.002% *  0.0151% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.94 +/- 0.91   0.002% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 39.8:
    * O T HA    THR   39 - HB    THR   39   2.66 +/- 0.22  99.986% * 98.7925% (1.00  10.0 10.00   3.00  39.77) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.10 +/- 0.99   0.010% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  16.50 +/- 0.83   0.002% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.82 +/- 2.42   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.97 +/- 0.90   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  25.99 +/- 1.43   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  26.03 +/- 1.03   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  31.26 +/- 1.06   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  32.24 +/- 3.05   0.000% *  0.0599% (0.61   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 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 39.4:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  95.557% * 63.8197% (0.87  10.0 10.00   3.00  39.77) =  99.068%  kept
        T QB    ALA   34 - HB    THR   39   4.66 +/- 0.75   1.651% * 34.7067% (0.84   1.0 10.00   1.13   2.21) =   0.931%  kept
          HG    LEU   71 - HB    THR   39   5.30 +/- 1.57   2.553% *  0.0205% (0.28   1.0  1.00   0.02   0.22) =   0.001%
        T HG3   LYS+  99 - HB    THR   39   8.01 +/- 1.34   0.099% *  0.2510% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.37 +/- 0.99   0.127% *  0.0734% (1.00   1.0  1.00   0.02  27.84) =   0.000%
          HG13  ILE   19 - HB    THR   39   9.97 +/- 1.26   0.013% *  0.0387% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.76 +/- 0.83   0.000% *  0.3581% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.36 +/- 1.38   0.000% *  0.6382% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.67 +/- 1.20   0.000% *  0.0710% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  17.57 +/- 1.37   0.000% *  0.0227% (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 = 39.8:
    * O T HA    THR   39 - QG2   THR   39   2.88 +/- 0.48  76.382% * 96.3159% (0.87  10.0 10.00   3.00  39.77) =  99.990%  kept
          HB    THR   77 - QB    ALA   91   5.25 +/- 2.04  20.721% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          HA1   GLY   51 - QB    ALA   91   8.71 +/- 2.87   1.596% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   23   7.54 +/- 2.17   0.886% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QG2   THR   39  10.51 +/- 0.61   0.046% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.51 +/- 0.92   0.045% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.36 +/- 0.73   0.087% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.15 +/- 2.32   0.044% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91  10.16 +/- 0.89   0.067% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.28 +/- 1.72   0.038% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.11 +/- 2.39   0.030% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.02 +/- 1.04   0.002% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  17.44 +/- 1.47   0.002% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  11.51 +/- 0.88   0.026% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  17.47 +/- 1.72   0.002% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.92 +/- 0.82   0.013% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.70 +/- 1.30   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.59 +/- 1.81   0.003% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.58 +/- 0.72   0.002% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  16.41 +/- 1.02   0.003% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.84 +/- 1.34   0.001% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.08 +/- 1.38   0.001% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.85 +/- 0.86   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.27 +/- 1.00   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  22.90 +/- 2.76   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  26.07 +/- 2.45   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.14 +/- 1.19   0.000% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 39.4:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  74.711% * 94.7274% (0.87  10.0 10.00   3.00  39.77) =  98.905%  kept
          HB3   SER   37 - QG2   THR   39   3.24 +/- 1.20  22.830% *  3.4282% (0.84   1.0  1.00   0.75   2.30) =   1.094%  kept
          HA    ILE   89 - QB    ALA   91   5.06 +/- 0.84   0.770% *  0.0432% (0.40   1.0  1.00   0.02   7.83) =   0.000%
          HD3   PRO   52 - QB    ALA   91   7.19 +/- 2.79   1.574% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   9.61 +/- 2.49   0.034% *  0.0444% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   7.70 +/- 1.34   0.055% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  11.07 +/- 1.48   0.006% *  0.0945% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  12.51 +/- 2.59   0.006% *  0.0513% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.76 +/- 0.83   0.000% *  0.5316% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.72 +/- 1.57   0.003% *  0.0374% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.10 +/- 0.81   0.008% *  0.0133% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.35 +/- 0.84   0.001% *  0.0613% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.36 +/- 1.38   0.000% *  0.4473% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.25 +/- 0.75   0.000% *  0.0513% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.85 +/- 0.95   0.001% *  0.0289% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.88 +/- 1.66   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  22.94 +/- 2.07   0.000% *  0.0914% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  23.18 +/- 3.57   0.000% *  0.0791% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.07 +/- 1.31   0.000% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.27 +/- 1.48   0.000% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.36 +/- 1.26   0.000% *  0.0432% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.87 +/- 1.18   0.000% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.70 +/- 1.39   0.000% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.45 +/- 1.25   0.000% *  0.0292% (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 = 5.09, residual support = 101.4:
    * O T HB2   LEU   40 - HA    LEU   40   2.62 +/- 0.21  93.374% * 97.9662% (1.00  10.0 10.00   5.09 101.43) =  99.997%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.38 +/- 0.61   6.337% *  0.0386% (0.39   1.0  1.00   0.02   0.73) =   0.003%
        T HB2   LEU   67 - HA    GLU-  15   8.77 +/- 1.16   0.096% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   9.24 +/- 1.15   0.069% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35  10.43 +/- 0.69   0.025% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.70 +/- 1.15   0.010% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   9.14 +/- 0.32   0.054% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.32 +/- 0.68   0.016% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.00 +/- 1.24   0.005% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.92 +/- 0.93   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.56 +/- 1.17   0.002% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.99 +/- 1.39   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.23 +/- 1.24   0.002% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  19.60 +/- 0.61   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  19.77 +/- 1.91   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  24.15 +/- 1.09   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.48 +/- 1.30   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.18 +/- 0.57   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.94 +/- 2.20   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  25.55 +/- 3.14   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.88 +/- 1.02   0.000% *  0.0223% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.859, support = 5.3, residual support = 101.4:
    * O T HB3   LEU   40 - HA    LEU   40   2.87 +/- 0.27  55.669% * 70.6117% (1.00  10.0 10.00   5.34 101.43) =  77.420%  kept
      O T HG    LEU   40 - HA    LEU   40   3.04 +/- 0.37  43.257% * 26.5014% (0.38  10.0 10.00   5.18 101.43) =  22.579%  kept
          HG    LEU   67 - HA    GLU-  15   9.10 +/- 2.73   0.804% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.02 +/- 1.04   0.012% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.74 +/- 0.78   0.023% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40   9.41 +/- 1.63   0.089% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  11.17 +/- 0.84   0.017% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15   9.82 +/- 1.53   0.066% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.76 +/- 1.09   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  17.59 +/- 0.89   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.43 +/- 1.24   0.005% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.65 +/- 0.79   0.008% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  12.15 +/- 0.34   0.010% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.03 +/- 0.49   0.007% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.56 +/- 1.97   0.009% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.78 +/- 1.02   0.005% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.60 +/- 0.80   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.41 +/- 1.39   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.82 +/- 0.33   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.66 +/- 1.30   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.40 +/- 0.96   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  26.51 +/- 1.27   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.57 +/- 1.32   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.72 +/- 1.24   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.12 +/- 0.89   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.07 +/- 1.45   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.92 +/- 1.06   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.15 +/- 2.14   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.31 +/- 2.17   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  23.25 +/- 1.28   0.000% *  0.0059% (0.08   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 101.4:
    * O T HA    LEU   40 - HB2   LEU   40   2.62 +/- 0.21  90.321% * 98.0349% (1.00  10.0 10.00   5.09 101.43) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.08 +/- 0.60   9.037% *  0.0244% (0.25   1.0  1.00   0.02  12.77) =   0.002%
        T HA    GLU-  15 - HB2   LEU   40  12.70 +/- 1.15   0.010% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40  10.43 +/- 0.69   0.025% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   8.77 +/- 1.16   0.096% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   9.24 +/- 1.15   0.068% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.82 +/- 2.47   0.061% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.20 +/- 0.58   0.030% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.03 +/- 1.32   0.211% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.91 +/- 1.57   0.081% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.02 +/- 0.93   0.005% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.01 +/- 1.28   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.31 +/- 1.08   0.010% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.39 +/- 0.69   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  10.87 +/- 1.42   0.028% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.56 +/- 1.17   0.002% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.31 +/- 0.78   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.00 +/- 0.46   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.36 +/- 1.16   0.003% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  14.83 +/- 1.76   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.87 +/- 0.93   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.86 +/- 1.18   0.002% *  0.0041% (0.04   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 = 0.968, support = 4.24, residual support = 101.0:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  81.970% * 69.9238% (1.00  10.0 10.00   4.23 101.43) =  95.051%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.55 +/- 0.27  10.488% * 26.2432% (0.38  10.0  1.00   4.73 101.43) =   4.564%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.68 +/- 0.25   7.386% *  3.1374% (0.04  10.0  1.00   5.15  60.38) =   0.384%
        T HB3   LEU   40 - HB2   LEU   67   6.74 +/- 1.37   0.055% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   7.49 +/- 2.08   0.050% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   7.60 +/- 1.39   0.030% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.13 +/- 1.41   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.93 +/- 1.06   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.46 +/- 2.13   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.73 +/- 0.80   0.014% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.55 +/- 1.27   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.18 +/- 1.40   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.80 +/- 1.04   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.09 +/- 0.57   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.82 +/- 1.05   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.87 +/- 1.12   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  14.79 +/- 1.08   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.52 +/- 1.37   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  12.64 +/- 2.51   0.002% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.23 +/- 0.65   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 = 5.34, residual support = 101.4:
    * O T HA    LEU   40 - HB3   LEU   40   2.87 +/- 0.27  85.905% * 97.9684% (1.00  10.0 10.00   5.34 101.43) =  99.996%  kept
          HA    LYS+  99 - HB3   LEU   40   4.53 +/- 1.00  10.623% *  0.0244% (0.25   1.0  1.00   0.02  12.77) =   0.003%
        T HA    GLU-  15 - HB3   LEU   40  12.02 +/- 1.04   0.024% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.74 +/- 0.78   0.040% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.73 +/- 1.18   3.051% *  0.0047% (0.05   1.0  1.00   0.02   0.34) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.87 +/- 2.57   0.118% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.49 +/- 0.94   0.073% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.75 +/- 1.56   0.099% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.11 +/- 1.01   0.014% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  17.59 +/- 0.89   0.002% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.52 +/- 1.22   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  17.61 +/- 0.81   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.55 +/- 0.94   0.029% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.41 +/- 1.39   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.58 +/- 0.74   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.07 +/- 0.72   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.82 +/- 0.96   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.24 +/- 1.42   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.12 +/- 0.89   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.69 +/- 0.82   0.002% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.13 +/- 1.47   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.36 +/- 1.57   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 = 4.23, residual support = 101.4:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.926% * 99.4293% (1.00  10.0 10.00   4.23 101.43) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   6.74 +/- 1.37   0.069% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.91 +/- 0.57   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.46 +/- 1.56   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.93 +/- 1.06   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.75 +/- 0.92   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.54 +/- 1.27   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.18 +/- 1.40   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.72 +/- 0.80   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.92 +/- 1.60   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.73 +/- 0.94   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.73 +/- 2.09   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.31 +/- 2.09   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.54 +/- 2.03   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.6:
    * O T HB    VAL   41 - HA    VAL   41   2.85 +/- 0.15  99.601% * 99.0830% (0.69  10.0 10.00   4.00  73.64) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   8.13 +/- 0.58   0.208% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.71 +/- 0.81   0.074% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.81 +/- 0.90   0.022% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.84 +/- 0.33   0.021% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  12.27 +/- 0.77   0.018% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.07 +/- 0.90   0.013% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.93 +/- 0.61   0.035% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  16.29 +/- 2.23   0.006% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  21.95 +/- 1.55   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.78 +/- 0.77   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.89 +/- 0.96   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  22.81 +/- 2.51   0.000% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  24.40 +/- 0.91   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 73.6:
    * O T QG1   VAL   41 - HA    VAL   41   2.88 +/- 0.18  82.055% * 98.7361% (1.00  10.0 10.00   4.20  73.64) =  99.988%  kept
          QD2   LEU   73 - HA    VAL   41   4.09 +/- 0.75  14.302% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   43 - HA    VAL   41   5.37 +/- 0.86   2.707% *  0.0934% (0.95   1.0  1.00   0.02   1.41) =   0.003%
        T QG2   VAL   18 - HA    VAL   41   9.45 +/- 0.75   0.079% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   7.51 +/- 1.00   0.431% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.85 +/- 0.69   0.111% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.49 +/- 0.76   0.299% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  12.94 +/- 0.83   0.011% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.14 +/- 0.88   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 73.6:
    * O T QG2   VAL   41 - HA    VAL   41   2.08 +/- 0.15  99.175% * 99.7508% (1.00  10.0 10.00   3.94  73.64) =  99.999%  kept
          QD2   LEU   98 - HA    VAL   41   4.82 +/- 0.49   0.800% *  0.0944% (0.95   1.0  1.00   0.02  23.17) =   0.001%
          QD2   LEU   63 - HA    VAL   41   8.70 +/- 0.76   0.024% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  17.53 +/- 4.54   0.001% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.6:
    * O T HA    VAL   41 - HB    VAL   41   2.85 +/- 0.15  99.975% * 99.8595% (0.69  10.0 10.00   4.00  73.64) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.89 +/- 1.83   0.014% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.07 +/- 0.32   0.011% *  0.0606% (0.42   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 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 = 3.9, residual support = 73.6:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  96.682% * 98.7361% (0.69  10.0 10.00   3.90  73.64) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.49 +/- 0.98   1.940% *  0.0934% (0.65   1.0  1.00   0.02   1.41) =   0.002%
          QD2   LEU   73 - HB    VAL   41   5.05 +/- 0.71   0.770% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   41   5.80 +/- 1.25   0.545% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.23 +/- 0.87   0.038% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.07 +/- 0.80   0.006% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.18 +/- 0.66   0.017% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.49 +/- 0.81   0.002% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.71 +/- 0.82   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 = 3.89, residual support = 71.9:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  72.069% * 91.4540% (0.69  10.0 10.00   3.96  73.64) =  96.562%  kept
          QD2   LEU   98 - HB    VAL   41   2.69 +/- 0.65  27.923% *  8.4040% (0.65   1.0  1.00   1.94  23.17) =   3.438%  kept
          QD2   LEU   63 - HB    VAL   41   9.97 +/- 0.73   0.008% *  0.0555% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  17.16 +/- 4.90   0.001% *  0.0865% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 73.6:
    * O T HA    VAL   41 - QG2   VAL   41   2.08 +/- 0.15  99.990% * 99.8595% (1.00  10.0 10.00   3.94  73.64) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.82 +/- 0.57   0.007% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.65 +/- 1.46   0.003% *  0.0800% (0.80   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 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.96, residual support = 73.6:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.588% * 99.0830% (0.69  10.0 10.00   3.96  73.64) = 100.000%  kept
          QB    LYS+  33 - QG2   VAL   41   5.74 +/- 0.63   0.333% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   41   8.06 +/- 0.91   0.045% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41  10.00 +/- 0.63   0.010% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.62 +/- 0.53   0.012% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.67 +/- 0.70   0.004% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  11.61 +/- 0.66   0.004% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.77 +/- 0.72   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  15.63 +/- 1.84   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.00 +/- 1.44   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  16.29 +/- 0.87   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.96 +/- 1.06   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  18.25 +/- 2.36   0.000% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  20.00 +/- 1.14   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 = 0.998, support = 3.9, residual support = 73.5:
    * O T QG1   VAL   41 - QG2   VAL   41   2.04 +/- 0.06  77.543% * 97.7679% (1.00  10.0 10.00   3.90  73.64) =  99.809%  kept
          QD2   LEU   73 - QG2   VAL   41   3.08 +/- 0.73  13.501% *  1.0244% (0.45   1.0  1.00   0.47   0.02) =   0.182%
          QG1   VAL   43 - QG2   VAL   41   3.96 +/- 0.93   4.142% *  0.0925% (0.95   1.0  1.00   0.02   1.41) =   0.005%
          HG    LEU   31 - QG2   VAL   41   4.03 +/- 0.88   4.667% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   VAL   18 - QG2   VAL   41   8.61 +/- 0.60   0.016% *  0.7472% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   8.22 +/- 0.59   0.021% *  0.1935% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.27 +/- 0.64   0.107% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  11.08 +/- 0.63   0.003% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.64 +/- 0.92   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 88.4:
    * O T HB    VAL   42 - HA    VAL   42   2.86 +/- 0.26  93.175% * 97.8517% (0.87  10.0 10.00   4.21  88.36) =  99.993%  kept
          QB    LEU   98 - HA    VAL   42   5.01 +/- 0.62   5.123% *  0.0862% (0.76   1.0  1.00   0.02   0.63) =   0.005%
        T HB2   LYS+ 112 - HA    PHE   55   7.55 +/- 1.43   0.742% *  0.1824% (0.16   1.0 10.00   0.02   3.10) =   0.001%
          HB3   LEU   73 - HA    VAL   42   6.86 +/- 0.89   0.716% *  0.0903% (0.80   1.0  1.00   0.02   1.20) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   8.87 +/- 0.79   0.127% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  12.79 +/- 2.13   0.037% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.23 +/- 0.45   0.028% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.72 +/- 0.93   0.016% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  13.44 +/- 0.87   0.011% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.96 +/- 0.62   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.17 +/- 0.98   0.005% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.18 +/- 0.44   0.002% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  14.83 +/- 1.00   0.005% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  18.35 +/- 3.91   0.003% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  20.08 +/- 1.21   0.001% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.19 +/- 0.66   0.002% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.77 +/- 0.95   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.97 +/- 1.00   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.80 +/- 0.87   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.45 +/- 0.63   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.44 +/- 1.59   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  26.94 +/- 1.12   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  30.25 +/- 0.99   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.51 +/- 1.12   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.4:
    * O T QG1   VAL   42 - HA    VAL   42   2.49 +/- 0.15  99.217% * 98.1799% (0.97  10.0 10.00   4.00  88.36) = 100.000%  kept
        T QB    ALA   64 - HA    VAL   42   8.22 +/- 0.63   0.092% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   6.56 +/- 1.36   0.642% *  0.0164% (0.16   1.0  1.00   0.02   3.10) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.68 +/- 0.94   0.036% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.63 +/- 0.28   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.53 +/- 0.46   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.53 +/- 0.48   0.007% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.79 +/- 1.09   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.4:
    * O T QG2   VAL   42 - HA    VAL   42   2.47 +/- 0.42  99.903% * 99.6660% (0.80  10.0 10.00   4.00  88.36) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   8.50 +/- 0.65   0.090% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  15.28 +/- 0.76   0.004% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.40 +/- 0.97   0.003% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 88.4:
    * O T HA    VAL   42 - HB    VAL   42   2.86 +/- 0.26  98.359% * 97.9628% (0.87  10.0 10.00   4.21  88.36) =  99.996%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.55 +/- 1.43   0.811% *  0.3914% (0.35   1.0 10.00   0.02   3.10) =   0.003%
          HA    ALA  110 - HB2   LYS+ 112   7.10 +/- 1.11   0.741% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.85 +/- 1.11   0.051% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.18 +/- 0.44   0.002% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.96 +/- 0.62   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.32 +/- 0.42   0.011% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.53 +/- 0.99   0.007% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.45 +/- 1.35   0.009% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  15.24 +/- 1.95   0.006% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.99 +/- 1.68   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.80 +/- 0.93   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.72 +/- 1.38   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.60 +/- 1.40   0.000% *  0.0419% (0.37   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 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 4.5, residual support = 104.8:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  79.332% * 65.1690% (0.84  10.0 10.00   4.21  88.36) =  88.530%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.73 +/- 0.27  20.462% * 32.7352% (0.42  10.0 10.00   6.74 232.09) =  11.470%  kept
          QB    ALA   64 - HB    VAL   42   6.16 +/- 0.99   0.201% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  12.95 +/- 1.68   0.002% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.83 +/- 0.55   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.81 +/- 0.36   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.32 +/- 1.10   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.99 +/- 1.00   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.13, residual support = 88.4:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.981% * 99.1635% (0.69  10.0 10.00   4.13  88.36) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   9.17 +/- 0.79   0.018% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.32 +/- 0.66   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.45 +/- 1.54   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 = 4.21, residual support = 88.4:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  99.360% * 96.3200% (0.84  10.0 10.00   4.21  88.36) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.95 +/- 0.85   0.320% *  0.0889% (0.77   1.0  1.00   0.02   1.20) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.31 +/- 0.51   0.167% *  0.0849% (0.74   1.0  1.00   0.02   0.63) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   7.90 +/- 0.87   0.047% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  12.95 +/- 1.68   0.003% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.31 +/- 0.54   0.031% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.01 +/- 1.80   0.026% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.83 +/- 0.55   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.44 +/- 0.87   0.008% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  14.81 +/- 0.36   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.79 +/- 1.43   0.017% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.60 +/- 1.03   0.008% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.78 +/- 0.82   0.002% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.55 +/- 0.85   0.003% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.71 +/- 0.82   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  14.98 +/- 3.03   0.002% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.45 +/- 0.98   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  16.45 +/- 1.50   0.001% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.34 +/- 0.39   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  16.11 +/- 0.72   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.25 +/- 1.26   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.47 +/- 0.92   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.28 +/- 1.09   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  23.94 +/- 1.05   0.000% *  0.0733% (0.64   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 = 88.4:
    * O T QG2   VAL   42 - QG1   VAL   42   2.06 +/- 0.04  99.872% * 98.9960% (0.77  10.0 10.00   4.00  88.36) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.97 +/- 0.67   0.083% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   7.79 +/- 0.72   0.044% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.82 +/- 0.56   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 = 88.4:
    * O T HA    VAL   42 - QG2   VAL   42   2.47 +/- 0.42  99.861% * 99.2010% (0.80  10.0 10.00   4.00  88.36) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.69 +/- 1.04   0.087% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.28 +/- 0.76   0.004% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.73 +/- 0.68   0.021% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.02 +/- 0.68   0.016% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.69 +/- 1.90   0.010% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  17.90 +/- 1.23   0.002% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.13, residual support = 88.4:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  99.066% * 98.4381% (0.69  10.0 10.00   4.13  88.36) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.37 +/- 0.85   0.587% *  0.0867% (0.61   1.0  1.00   0.02   0.63) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   6.92 +/- 1.18   0.205% *  0.0909% (0.64   1.0  1.00   0.02   1.20) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.69 +/- 2.24   0.067% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.28 +/- 0.91   0.035% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.68 +/- 1.30   0.021% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.78 +/- 0.90   0.007% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.32 +/- 0.66   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.14 +/- 1.26   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.58 +/- 0.82   0.004% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.80 +/- 1.03   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  16.65 +/- 2.73   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.4:
    * O T QG1   VAL   42 - QG2   VAL   42   2.06 +/- 0.04  99.633% * 98.8869% (0.77  10.0 10.00   4.00  88.36) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.58 +/- 0.70   0.364% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.82 +/- 0.56   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  15.03 +/- 0.93   0.001% *  0.0704% (0.55   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 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   2.95 +/- 0.12  99.974% * 99.7401% (0.97  10.0 10.00   3.30  60.58) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  13.00 +/- 0.72   0.015% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.84 +/- 0.59   0.010% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  18.41 +/- 1.67   0.002% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.35, residual support = 60.0:
    * O T QG1   VAL   43 - HA    VAL   43   2.60 +/- 0.20  79.941% * 95.4174% (0.90  10.0 10.00   4.38  60.58) =  98.943%  kept
          QD2   LEU   73 - HA    VAL   43   3.68 +/- 0.78  19.398% *  4.1982% (0.53   1.0  1.00   1.50   8.34) =   1.056%  kept
          QG2   VAL   18 - HA    VAL   43   7.33 +/- 0.83   0.253% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    VAL   43   7.35 +/- 0.27   0.160% *  0.1055% (0.99   1.0  1.00   0.02   1.41) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.04 +/- 0.69   0.113% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   9.27 +/- 1.19   0.052% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.96 +/- 0.65   0.058% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.63 +/- 1.04   0.013% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.74 +/- 0.76   0.011% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.29  99.759% * 98.9143% (0.69  10.0 10.00   3.00  60.58) =  99.998%  kept
        T QD2   LEU   31 - HA    VAL   43   6.87 +/- 1.09   0.232% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HA    VAL   43  11.84 +/- 2.32   0.009% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.33 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   2.95 +/- 0.12  99.942% * 99.8083% (0.97  10.0 10.00   3.30  60.58) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  13.04 +/- 1.07   0.015% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.97 +/- 0.61   0.040% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.55 +/- 0.63   0.003% *  0.0895% (0.87   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 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   2.13 +/- 0.01  99.259% * 97.7514% (0.87  10.0 10.00   3.74  60.58) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.55 +/- 0.68   0.060% *  1.0803% (0.96   1.0 10.00   0.02   1.41) =   0.001%
          QD2   LEU   73 - HB    VAL   43   5.60 +/- 0.79   0.605% *  0.0573% (0.51   1.0  1.00   0.02   8.34) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.56 +/- 0.78   0.014% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   9.23 +/- 1.55   0.026% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.93 +/- 0.80   0.021% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  11.08 +/- 0.89   0.006% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.10 +/- 0.71   0.005% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.81 +/- 1.12   0.004% *  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   2.11 +/- 0.02  99.773% * 98.9143% (0.66  10.0 10.00   2.89  60.58) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   7.00 +/- 1.37   0.218% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43  11.39 +/- 2.40   0.009% *  0.0400% (0.27   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 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   2.60 +/- 0.20  99.844% * 99.8083% (0.90  10.0 10.00   4.38  60.58) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.30 +/- 0.90   0.123% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  10.52 +/- 0.86   0.026% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  13.04 +/- 0.89   0.007% *  0.0895% (0.80   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 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   2.13 +/- 0.01  99.986% * 99.7401% (0.87  10.0 10.00   3.74  60.58) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.94 +/- 1.02   0.012% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  15.89 +/- 2.19   0.001% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.67 +/- 0.66   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 = 3.87, residual support = 60.6:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.06  98.737% * 98.9143% (0.62  10.0 10.00   3.87  60.58) =  99.987%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.67 +/- 0.75   1.213% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.013%
          QG2   VAL   83 - QG1   VAL   43   9.99 +/- 2.52   0.050% *  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   2.11 +/- 0.02  99.767% * 99.3815% (0.66  10.0 10.00   2.89  60.58) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   7.00 +/- 1.37   0.218% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.74 +/- 0.72   0.004% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.57 +/- 0.84   0.007% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  14.34 +/- 1.68   0.001% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.24 +/- 0.70   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  14.54 +/- 1.01   0.001% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  18.28 +/- 2.59   0.000% *  0.0293% (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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.544, support = 4.16, residual support = 86.0:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.06  49.348% * 80.9559% (0.62  10.0 10.00   3.87  60.58) =  84.989%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  39.626% * 17.7908% (0.14  10.0 10.00   5.84 230.31) =  14.998%  kept
          QD2   LEU   73 - QG2   VAL   43   3.91 +/- 1.01   6.986% *  0.0475% (0.36   1.0  1.00   0.02   8.34) =   0.007%
        T QG1   VAL   43 - QD2   LEU   31   4.67 +/- 0.75   0.622% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - QD2   LEU   31   3.86 +/- 0.75   2.409% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   7.05 +/- 1.48   0.093% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD2   LEU   31   4.41 +/- 0.71   0.743% *  0.0136% (0.10   1.0  1.00   0.02   1.33) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.55 +/- 0.59   0.055% *  0.0895% (0.68   1.0  1.00   0.02   1.41) =   0.000%
          QG2   THR   46 - QG2   VAL   43   7.00 +/- 0.48   0.034% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.46 +/- 0.80   0.028% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.40 +/- 0.70   0.012% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.40 +/- 0.84   0.027% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.51 +/- 1.09   0.004% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31  10.19 +/- 0.97   0.004% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.40 +/- 0.76   0.003% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.83 +/- 1.09   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.06 +/- 0.92   0.004% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.30 +/- 1.10   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.1:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.95 +/- 0.18  99.325% * 97.1917% (1.00  10.0 10.00   2.68  38.09) =  99.999%  kept
          HB3   PHE   72 - HA    ASP-  44   7.28 +/- 0.97   0.576% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HA    ASP-  44  16.18 +/- 0.88   0.004% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.72 +/- 0.67   0.049% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  18.02 +/- 1.29   0.002% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  14.34 +/- 1.21   0.009% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.69 +/- 0.79   0.031% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  26.05 +/- 1.30   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  17.00 +/- 0.59   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 38.1:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.59 +/- 0.24  99.304% * 98.4998% (1.00  10.0 10.00   4.00  38.09) =  99.999%  kept
          HB3   PRO   93 - HA    ASP-  44   7.01 +/- 0.89   0.414% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.09 +/- 0.81   0.168% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  13.28 +/- 1.41   0.007% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.24 +/- 1.50   0.035% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  13.81 +/- 2.01   0.034% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  14.74 +/- 3.57   0.008% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.77 +/- 0.90   0.023% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  15.47 +/- 1.21   0.002% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.30 +/- 0.90   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.48 +/- 0.60   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.32 +/- 0.93   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.68 +/- 0.90   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.1:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.95 +/- 0.18  99.654% * 98.1053% (1.00  10.0 10.00   2.68  38.09) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.02 +/- 0.62   0.282% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.44 +/- 1.10   0.032% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.76 +/- 0.87   0.002% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  14.36 +/- 0.41   0.008% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.05 +/- 0.41   0.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.49 +/- 1.30   0.006% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.76 +/- 1.37   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.53 +/- 0.64   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  19.90 +/- 2.08   0.001% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  20.04 +/- 2.41   0.002% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.55 +/- 1.28   0.000% *  0.0478% (0.49   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 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 = 2.65, residual support = 38.1:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.948% * 99.2040% (1.00  10.0 10.00   2.65  38.09) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.03 +/- 0.63   0.029% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   8.05 +/- 1.30   0.019% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.69 +/- 1.20   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.52 +/- 2.16   0.001% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  14.94 +/- 2.87   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  13.72 +/- 1.40   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  16.01 +/- 1.29   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  13.18 +/- 0.82   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.56 +/- 1.02   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.10 +/- 0.74   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.98 +/- 1.22   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.86 +/- 0.98   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 = 38.1:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.59 +/- 0.24  99.752% * 99.3093% (1.00  10.0 10.00   4.00  38.09) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.63 +/- 0.93   0.204% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.20 +/- 1.06   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.26 +/- 0.64   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.44 +/- 0.80   0.005% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.85 +/- 1.19   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  17.12 +/- 0.81   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  19.66 +/- 1.96   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.77 +/- 1.15   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  19.84 +/- 2.46   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.62 +/- 1.25   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.84 +/- 1.20   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 = 2.65, residual support = 38.1:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.799% * 99.4398% (1.00  10.0 10.00   2.65  38.09) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.38 +/- 1.26   0.197% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.53 +/- 1.01   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.70 +/- 1.08   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  15.16 +/- 1.03   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.38 +/- 1.21   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.77 +/- 1.51   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.55 +/- 1.22   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.06 +/- 1.26   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 = 81.0:
    * O T HB2   PHE   45 - HA    PHE   45   3.01 +/- 0.18  99.871% * 99.8680% (1.00  10.0 10.00   3.31  80.97) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.54 +/- 0.81   0.114% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.38 +/- 1.83   0.015% *  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 = 81.0:
    * O T HB3   PHE   45 - HA    PHE   45   2.63 +/- 0.17  99.963% * 99.6736% (1.00  10.0 10.00   4.00  80.97) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  11.03 +/- 0.57   0.020% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  14.65 +/- 1.50   0.004% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  13.81 +/- 1.77   0.008% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  18.32 +/- 0.89   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.92 +/- 1.02   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.06 +/- 1.23   0.001% *  0.0222% (0.22   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 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 81.0:
    * O T HA    PHE   45 - HB2   PHE   45   3.01 +/- 0.18  99.987% * 99.9145% (1.00  10.0 10.00   3.31  80.97) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.89 +/- 0.78   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.41 +/- 0.95   0.001% *  0.0249% (0.25   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 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 = 81.0:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.993% * 99.6736% (1.00  10.0 10.00   3.31  80.97) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.73 +/- 1.17   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  13.38 +/- 2.45   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.89 +/- 1.67   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.55 +/- 1.21   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.65 +/- 0.98   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.97 +/- 1.23   0.000% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 81.0:
    * O T HA    PHE   45 - HB3   PHE   45   2.63 +/- 0.17  99.995% * 99.9145% (1.00  10.0 10.00   4.00  80.97) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.53 +/- 0.37   0.004% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.60 +/- 1.34   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 81.0:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.997% * 99.8680% (1.00  10.0 10.00   3.31  80.97) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  14.32 +/- 1.97   0.001% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  11.33 +/- 0.88   0.002% *  0.0375% (0.38   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 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 = 2.99, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.53 +/- 0.10  99.991% * 98.0423% (1.00  10.0 10.00   2.99  34.50) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.04 +/- 1.09   0.007% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  17.61 +/- 2.04   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.02 +/- 1.26   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.23 +/- 1.54   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.94 +/- 1.42   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.50 +/- 1.10   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.07 +/- 1.38   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.90 +/- 1.21   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   2.89 +/- 0.38  98.924% * 97.3989% (1.00  10.0 10.00   3.00  34.50) =  99.999%  kept
          QD1   ILE   19 - HA    SER   13   8.47 +/- 1.62   0.361% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   8.94 +/- 0.94   0.177% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.09 +/- 0.40   0.270% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.06 +/- 0.88   0.086% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  10.18 +/- 1.31   0.086% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  12.95 +/- 0.67   0.016% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.71 +/- 0.87   0.018% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.84 +/- 0.92   0.011% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.51 +/- 1.09   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.10 +/- 1.08   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.76 +/- 0.80   0.008% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.96 +/- 1.06   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.53 +/- 0.69   0.021% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.72 +/- 0.30   0.005% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  16.21 +/- 1.12   0.004% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.29 +/- 0.82   0.002% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.38 +/- 1.25   0.002% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.59 +/- 1.11   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.69 +/- 1.44   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  21.04 +/- 1.96   0.001% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.53 +/- 0.10  99.972% * 98.0777% (1.00  10.0 10.00   2.99  34.50) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.15 +/- 1.25   0.017% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.73 +/- 1.33   0.005% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.35 +/- 1.12   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.23 +/- 1.54   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.02 +/- 1.26   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.74 +/- 1.33   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.57 +/- 1.07   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  99.899% * 99.5878% (1.00  10.0 10.00   3.00  34.50) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.72 +/- 1.17   0.086% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.34 +/- 1.15   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.77 +/- 1.30   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.64 +/- 0.87   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.56 +/- 1.45   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  18.70 +/- 1.69   0.000% *  0.0154% (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 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   2.89 +/- 0.38  99.746% * 98.0777% (1.00  10.0 10.00   3.00  34.50) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   9.43 +/- 1.69   0.157% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  10.92 +/- 0.91   0.042% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  10.85 +/- 0.92   0.042% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.51 +/- 1.09   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.10 +/- 1.08   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.00 +/- 0.90   0.006% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.94 +/- 0.96   0.004% *  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   2.16 +/- 0.01  99.994% * 99.8459% (1.00  10.0 10.00   3.00  34.50) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  11.98 +/- 1.56   0.005% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  15.50 +/- 1.44   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 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  10.99) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.60 +/- 0.23   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  13.30 +/- 0.75   0.002% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.50 +/- 2.21   0.001% *  0.0551% (0.53   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 = 0.932, support = 2.02, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  68.043% * 93.4053% (0.95  10.0 10.00   2.00  10.99) =  97.337%  kept
          HA    CYS   50 - QB    ALA   47   2.80 +/- 0.85  31.345% *  5.5464% (0.42   1.0  1.00   2.65   6.95) =   2.663%  kept
          HA    TRP   49 - QB    ALA   47   4.72 +/- 0.06   0.573% *  0.0260% (0.26   1.0  1.00   0.02  14.63) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.60 +/- 0.23   0.002% *  0.7154% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   8.85 +/- 0.70   0.015% *  0.0701% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47  10.10 +/- 1.11   0.007% *  0.0916% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.32 +/- 1.71   0.009% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.25 +/- 0.59   0.002% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.75 +/- 0.45   0.004% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.28 +/- 1.38   0.001% *  0.0321% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.34 +/- 0.74   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.06 +/- 0.34   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 = 1.76, residual support = 9.42:
    * O T QB    SER   48 - HA    SER   48   2.30 +/- 0.09  99.308% * 96.0221% (1.00  10.0 10.00   1.76   9.42) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.53 +/- 0.32   0.559% *  0.2561% (0.27   1.0 10.00   0.02   2.00) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.25 +/- 1.11   0.070% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.06 +/- 2.62   0.005% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  12.72 +/- 2.14   0.006% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  17.04 +/- 4.58   0.008% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.06 +/- 0.53   0.003% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.32 +/- 1.23   0.016% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.59 +/- 1.12   0.013% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.41 +/- 1.39   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  22.29 +/- 1.86   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.44 +/- 1.03   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.00 +/- 1.51   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.47 +/- 1.82   0.002% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.77 +/- 1.64   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  22.70 +/- 1.58   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.30 +/- 0.59   0.005% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  20.20 +/- 1.97   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  28.14 +/- 3.90   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.10 +/- 0.64   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  21.54 +/- 1.48   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  27.61 +/- 2.52   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  25.71 +/- 2.01   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.46 +/- 1.55   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.54 +/- 2.62   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.99 +/- 0.68   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  34.13 +/- 4.78   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.73 +/- 2.19   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  29.54 +/- 2.07   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  34.01 +/- 3.97   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.1, residual support = 85.8:
    * O T HB2   TRP   49 - HA    TRP   49   2.58 +/- 0.13  98.161% * 50.9151% (1.00  10.0 10.00   4.12  87.20) =  98.303%  kept
        T HB2   TRP   49 - HA    CYS   50   5.16 +/- 0.40   1.797% * 47.9899% (0.94   1.0 10.00   3.26   2.51) =   1.697%  kept
        T HA2   GLY  109 - HA    CYS   50  12.92 +/- 2.57   0.011% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  16.91 +/- 2.43   0.002% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  13.33 +/- 1.82   0.009% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.10 +/- 1.05   0.007% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.12 +/- 1.57   0.008% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.85 +/- 1.45   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.37 +/- 0.57   0.004% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  21.41 +/- 1.28   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.66 +/- 0.78   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.47 +/- 0.78   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 = 87.2:
    * O T HB3   TRP   49 - HA    TRP   49   2.31 +/- 0.09  99.682% * 98.8838% (0.84  10.0 10.00   4.12  87.20) =  99.997%  kept
        T HB3   TRP   49 - HA    CYS   50   6.11 +/- 0.26   0.315% *  0.9320% (0.79   1.0 10.00   0.02   2.51) =   0.003%
          HB3   PHE   59 - HA    CYS   50  13.76 +/- 1.09   0.003% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.39 +/- 0.77   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 = 87.2:
    * O T HA    TRP   49 - HB2   TRP   49   2.58 +/- 0.13  97.969% * 97.9260% (1.00  10.0 10.00   4.12  87.20) =  99.983%  kept
        T HA    CYS   50 - HB2   TRP   49   5.16 +/- 0.40   1.793% *  0.9263% (0.95   1.0 10.00   0.02   2.51) =   0.017%
          HA    ALA   47 - HB2   TRP   49   7.19 +/- 0.38   0.235% *  0.0272% (0.28   1.0  1.00   0.02  14.63) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  16.51 +/- 2.31   0.002% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.28 +/- 1.50   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.76 +/- 1.01   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  32.12 +/- 0.41   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 = 87.2:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  87.20) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.94 +/- 0.77   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.12, residual support = 87.2:
    * O T HA    TRP   49 - HB3   TRP   49   2.31 +/- 0.09  99.516% * 98.7661% (0.84  10.0 10.00   4.12  87.20) =  99.997%  kept
        T HA    CYS   50 - HB3   TRP   49   6.11 +/- 0.26   0.314% *  0.9343% (0.79   1.0 10.00   0.02   2.51) =   0.003%
          HA    ALA   47 - HB3   TRP   49   6.95 +/- 0.54   0.168% *  0.0275% (0.23   1.0  1.00   0.02  14.63) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  17.43 +/- 2.16   0.001% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  22.19 +/- 1.29   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.97 +/- 1.32   0.000% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  32.34 +/- 0.54   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 87.2:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.998% * 99.6151% (0.84  10.0 10.00   3.00  87.20) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  12.62 +/- 1.88   0.001% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  17.19 +/- 2.23   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  14.92 +/- 0.98   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.84 +/- 0.81   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  26.41 +/- 0.72   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 = 1.62, residual support = 7.22:
    * O T QB    CYS   50 - HA    CYS   50   2.34 +/- 0.15  97.868% * 51.3514% (1.00  10.0 10.00   1.59   7.30) =  98.289%  kept
        T QB    CYS   50 - HA    TRP   49   4.71 +/- 0.40   1.807% * 48.4012% (0.94   1.0 10.00   3.12   2.51) =   1.711%  kept
          HB3   ASP-  78 - HA    TRP   49   8.13 +/- 1.82   0.227% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50   9.38 +/- 1.77   0.069% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.12 +/- 1.65   0.022% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.17 +/- 0.71   0.006% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.19 +/- 1.88   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.62 +/- 1.17   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.88 +/- 1.88   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.50 +/- 1.04   0.000% *  0.0388% (0.75   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.59, residual support = 7.3:
    * O T HA    CYS   50 - QB    CYS   50   2.34 +/- 0.15  96.031% * 98.7658% (1.00  10.0 10.00   1.59   7.30) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.71 +/- 0.40   1.782% *  0.9343% (0.95   1.0 10.00   0.02   2.51) =   0.018%
          HA    ALA   47 - QB    CYS   50   5.02 +/- 0.88   2.156% *  0.0443% (0.45   1.0  1.00   0.02   6.95) =   0.001%
          HA1   GLY  109 - QB    CYS   50  12.08 +/- 3.12   0.022% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.11 +/- 2.26   0.010% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  17.37 +/- 1.06   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.91 +/- 1.22   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 = 7.08, residual support = 223.5:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  96.566% * 99.8323% (1.00  10.0 10.00   7.08 223.46) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   8.16 +/- 1.80   3.222% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  11.77 +/- 1.06   0.173% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.10 +/- 1.06   0.036% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  22.55 +/- 1.68   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 6.54, residual support = 223.5:
    * O T HB2   PRO   52 - HD2   PRO   52   3.99 +/- 0.08  99.973% * 99.5699% (1.00  10.0 10.00   6.54 223.46) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.94 +/- 1.34   0.010% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  16.94 +/- 0.69   0.018% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 223.5:
    * O T HB3   PRO   52 - HD2   PRO   52   3.90 +/- 0.08  85.818% * 98.1836% (1.00  10.0 10.00   6.65 223.46) =  99.995%  kept
          HG2   PRO   93 - HD2   PRO   52   6.45 +/- 1.73  10.160% *  0.0303% (0.31   1.0  1.00   0.02   0.44) =   0.004%
          HG2   ARG+  54 - HD2   PRO   52   6.86 +/- 0.51   3.298% *  0.0368% (0.38   1.0  1.00   0.02   1.76) =   0.001%
          HB3   GLN   90 - HD2   PRO   52   9.80 +/- 1.70   0.675% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  15.31 +/- 1.40   0.029% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  22.49 +/- 1.37   0.003% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.44 +/- 1.15   0.006% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.46 +/- 1.59   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.97 +/- 1.27   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.55 +/- 1.27   0.002% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.98 +/- 1.38   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.68 +/- 1.18   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.11 +/- 1.24   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.85 +/- 0.91   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 6.48, residual support = 223.5:
    * O T HG2   PRO   52 - HD2   PRO   52   2.53 +/- 0.28  99.416% * 99.6094% (1.00  10.0 10.00   6.48 223.46) = 100.000%  kept
          HG2   MET   92 - HD2   PRO   52   7.10 +/- 1.87   0.568% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  13.81 +/- 1.39   0.007% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  14.64 +/- 1.42   0.005% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.13 +/- 0.27   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  24.87 +/- 1.19   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.34 +/- 2.17   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 = 6.48, residual support = 223.5:
    * O T HG3   PRO   52 - HD2   PRO   52   2.64 +/- 0.28  99.340% * 98.5427% (1.00  10.0 10.00   6.48 223.46) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   6.91 +/- 1.64   0.647% *  0.0304% (0.31   1.0  1.00   0.02   0.44) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.30 +/- 0.32   0.011% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  27.80 +/- 1.64   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  19.19 +/- 1.56   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  27.77 +/- 2.24   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.78 +/- 1.26   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.15 +/- 1.65   0.000% *  0.0966% (0.98   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 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 223.5:
    * O T HB2   PRO   52 - HA    PRO   52   2.41 +/- 0.19  99.998% * 99.5699% (1.00  10.0 10.00   5.15 223.46) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.19 +/- 1.34   0.000% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.06 +/- 0.76   0.002% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.5:
    * O T HB3   PRO   52 - HA    PRO   52   2.63 +/- 0.19  97.219% * 99.2796% (1.00  10.0 10.00   6.14 223.46) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   6.41 +/- 0.94   1.543% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.001%
          HG2   PRO   93 - HA    PRO   52   6.17 +/- 1.41   1.222% *  0.0306% (0.31   1.0  1.00   0.02   0.44) =   0.000%
          HB3   GLN   90 - HA    PRO   52  13.10 +/- 1.97   0.012% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.45 +/- 1.37   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  20.20 +/- 1.41   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.12 +/- 1.09   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.69 +/- 1.44   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.63 +/- 1.27   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.52 +/- 1.22   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.49 +/- 1.23   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.12 +/- 1.09   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.41 +/- 1.41   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.56 +/- 0.96   0.000% *  0.0153% (0.15   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.5:
    * O T HG2   PRO   52 - HA    PRO   52   3.94 +/- 0.04  96.102% * 99.6094% (1.00  10.0 10.00   5.98 223.46) =  99.997%  kept
          HG2   MET   92 - HA    PRO   52   8.66 +/- 2.41   3.585% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    PRO   52  11.87 +/- 1.24   0.154% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  11.70 +/- 0.48   0.146% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  17.81 +/- 1.13   0.012% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  27.63 +/- 1.07   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.18 +/- 1.96   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 223.5:
    * O T HG3   PRO   52 - HA    PRO   52   3.92 +/- 0.04  96.096% * 98.7160% (1.00  10.0 10.00   5.97 223.46) =  99.994%  kept
        T HG2   PRO   58 - HA    PRO   52   9.60 +/- 0.54   0.471% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - HA    PRO   52   7.32 +/- 1.14   3.427% *  0.0305% (0.31   1.0  1.00   0.02   0.44) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  28.46 +/- 1.87   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  21.49 +/- 1.41   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.13 +/- 1.04   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.60 +/- 1.53   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  29.12 +/- 1.44   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.79 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 223.5:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.613% * 99.4673% (1.00  10.0 10.00   7.08 223.46) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  10.57 +/- 0.93   0.339% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  18.16 +/- 1.68   0.013% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.53 +/- 1.44   0.008% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  20.28 +/- 0.68   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.59 +/- 1.01   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.11 +/- 1.20   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  22.71 +/- 2.03   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  23.74 +/- 1.10   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  32.45 +/- 1.62   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.50 +/- 1.39   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.64 +/- 1.48   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 0.75 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 223.5:
    * O T HA    PRO   52 - HB2   PRO   52   2.41 +/- 0.19  99.738% * 99.4915% (1.00  10.0 10.00   5.15 223.46) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   8.46 +/- 1.19   0.080% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52   9.66 +/- 2.41   0.110% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.65 +/- 0.85   0.056% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.19 +/- 1.34   0.000% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.78 +/- 1.60   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  13.14 +/- 1.09   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.53 +/- 1.37   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.78 +/- 1.00   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  23.82 +/- 2.20   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 = 6.19, residual support = 223.5:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  98.187% * 98.7825% (1.00  10.0 10.00   6.19 223.46) =  99.999%  kept
          HG2   PRO   93 - HB2   PRO   52   5.06 +/- 1.82   1.398% *  0.0305% (0.31   1.0  1.00   0.02   0.44) =   0.000%
          HG12  ILE  103 - HG2   MET   96   4.84 +/- 0.66   0.308% *  0.0260% (0.26   1.0  1.00   0.02   9.00) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.34 +/- 0.67   0.053% *  0.0119% (0.12   1.0  1.00   0.02   9.00) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.83 +/- 1.32   0.022% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.38 +/- 0.81   0.012% *  0.0371% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.22 +/- 0.92   0.012% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.01 +/- 2.23   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.33 +/- 1.69   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.52 +/- 0.73   0.004% *  0.0045% (0.05   1.0  1.00   0.02   0.10) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.94 +/- 1.76   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.19 +/- 1.47   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.62 +/- 1.49   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.72 +/- 1.46   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.75 +/- 0.72   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  17.11 +/- 1.43   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  20.94 +/- 3.09   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.00 +/- 1.88   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.54 +/- 1.87   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.93 +/- 2.01   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.51 +/- 1.05   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.33 +/- 1.87   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.74 +/- 1.66   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.74 +/- 1.46   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.38 +/- 1.03   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  19.75 +/- 1.37   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.76 +/- 1.56   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.19 +/- 2.11   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 = 6.09, residual support = 223.5:
    * O T HG2   PRO   52 - HB2   PRO   52   2.71 +/- 0.30  93.041% * 99.2053% (1.00  10.0 10.00   6.09 223.46) =  99.995%  kept
          HG2   MET   92 - HB2   PRO   52   6.97 +/- 2.94   6.882% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU- 114 - HB2   PRO   52  11.11 +/- 1.48   0.027% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.13 +/- 1.39   0.030% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.77 +/- 1.62   0.002% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.09 +/- 0.64   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.62 +/- 1.79   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.50 +/- 0.86   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  18.62 +/- 1.55   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  18.98 +/- 1.96   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.32 +/- 1.64   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  26.87 +/- 1.68   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.08 +/- 1.13   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.87 +/- 2.46   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 = 6.09, residual support = 223.5:
    * O T HG3   PRO   52 - HB2   PRO   52   2.52 +/- 0.29  98.528% * 98.0617% (1.00  10.0 10.00   6.09 223.46) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   6.67 +/- 1.74   1.411% *  0.0303% (0.31   1.0  1.00   0.02   0.44) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  10.97 +/- 0.68   0.017% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  18.04 +/- 2.09   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.56 +/- 1.07   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  11.99 +/- 2.14   0.030% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.89 +/- 0.71   0.008% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.00 +/- 1.36   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  20.61 +/- 2.18   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.17 +/- 2.32   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.50 +/- 1.01   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.02 +/- 1.26   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.71 +/- 1.42   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.63 +/- 2.09   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.40 +/- 1.89   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  32.41 +/- 2.48   0.000% *  0.0282% (0.29   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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 223.5:
    * O T HD2   PRO   52 - HB2   PRO   52   3.99 +/- 0.08  99.518% * 99.0230% (1.00  10.0 10.00   6.54 223.46) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  10.98 +/- 0.68   0.244% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.94 +/- 1.34   0.010% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.83 +/- 2.21   0.025% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  16.58 +/- 1.52   0.023% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  18.57 +/- 2.04   0.012% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.15 +/- 0.77   0.035% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.24 +/- 1.08   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.03 +/- 1.59   0.007% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  20.30 +/- 3.40   0.013% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.98 +/- 2.72   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  20.75 +/- 2.04   0.006% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  21.93 +/- 5.35   0.017% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.96 +/- 0.91   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.99 +/- 1.29   0.019% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  20.16 +/- 0.75   0.006% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.36 +/- 1.31   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  16.65 +/- 0.99   0.020% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.67 +/- 1.50   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.98 +/- 0.89   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.20 +/- 1.17   0.012% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.82 +/- 2.32   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.90 +/- 2.18   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.30 +/- 2.26   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.5:
    * O T HA    PRO   52 - HB3   PRO   52   2.63 +/- 0.19  99.637% * 99.6990% (1.00  10.0 10.00   6.14 223.46) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.25 +/- 1.05   0.165% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   9.24 +/- 2.00   0.164% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.19 +/- 1.30   0.014% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.45 +/- 1.37   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  12.16 +/- 1.84   0.016% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.01 +/- 1.77   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.91 +/- 3.45   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  22.89 +/- 2.22   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  22.66 +/- 2.22   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 = 6.19, residual support = 223.5:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.19 223.46) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.33 +/- 1.69   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.48 +/- 1.02   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.94 +/- 1.76   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  20.94 +/- 3.09   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  25.37 +/- 0.98   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.5:
    * O T HG2   PRO   52 - HB3   PRO   52   2.49 +/- 0.26  96.134% * 99.4355% (1.00  10.0 10.00   6.16 223.46) =  99.997%  kept
          HG2   MET   92 - HB3   PRO   52   6.63 +/- 2.44   3.688% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB3   PRO   52  10.79 +/- 1.33   0.028% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   7.84 +/- 0.87   0.125% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.92 +/- 1.56   0.003% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.07 +/- 1.57   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  12.73 +/- 0.72   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  14.27 +/- 3.76   0.008% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.19 +/- 2.34   0.006% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  26.16 +/- 1.38   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  21.96 +/- 2.21   0.000% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.54 +/- 0.91   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.05 +/- 2.29   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  29.39 +/- 3.80   0.000% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.4:
    * O T HG3   PRO   52 - HB3   PRO   52   2.65 +/- 0.26  97.833% * 98.1909% (1.00  10.0 10.00   6.16 223.46) =  99.993%  kept
        T HB2   PRO   93 - HB3   PRO   52   5.94 +/- 1.28   2.086% *  0.3031% (0.31   1.0 10.00   0.02   0.44) =   0.007%
        T HG2   PRO   58 - HB3   PRO   52  10.65 +/- 0.72   0.030% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  16.25 +/- 1.85   0.002% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.24 +/- 4.58   0.043% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.60 +/- 0.96   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  19.85 +/- 1.73   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  16.12 +/- 0.94   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  28.46 +/- 2.26   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.01 +/- 1.41   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.05 +/- 2.12   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.90 +/- 1.78   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  21.82 +/- 3.67   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.79 +/- 1.41   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  33.97 +/- 3.06   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  29.90 +/- 1.52   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 223.5:
    * O T HD2   PRO   52 - HB3   PRO   52   3.90 +/- 0.08  53.248% * 97.9761% (1.00  10.0 10.00   6.65 223.46) =  99.995%  kept
          QB    SER   85 - QB    LYS+  81   4.72 +/- 0.70  23.208% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - QB    LYS+  81   4.60 +/- 0.38  22.455% *  0.0038% (0.04   1.0  1.00   0.02  19.66) =   0.002%
          HA    SER   48 - HB3   PRO   52  10.63 +/- 0.69   0.141% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.51 +/- 1.05   0.618% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.50 +/- 2.66   0.271% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.31 +/- 1.40   0.018% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  16.60 +/- 1.85   0.011% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  18.32 +/- 1.77   0.006% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.00 +/- 1.96   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  20.62 +/- 1.19   0.003% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  25.36 +/- 4.23   0.001% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.28 +/- 1.57   0.004% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  21.19 +/- 3.99   0.003% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.56 +/- 2.51   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.09 +/- 1.75   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  19.90 +/- 1.48   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  24.02 +/- 1.54   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.48 +/- 1.86   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  26.63 +/- 3.51   0.001% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  20.65 +/- 1.37   0.003% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.86 +/- 1.06   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.79 +/- 1.25   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  30.58 +/- 1.66   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 0.68 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.5:
    * O T HA    PRO   52 - HG2   PRO   52   3.94 +/- 0.04  91.642% * 99.8323% (1.00  10.0 10.00   5.98 223.46) =  99.997%  kept
          HA    ALA   91 - HG2   PRO   52   7.52 +/- 2.16   7.877% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   52  10.11 +/- 1.11   0.409% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.54 +/- 1.28   0.069% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.65 +/- 1.90   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 6.09, residual support = 223.5:
    * O T HB2   PRO   52 - HG2   PRO   52   2.71 +/- 0.30  99.996% * 99.5699% (1.00  10.0 10.00   6.09 223.46) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.77 +/- 1.62   0.002% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.11 +/- 0.90   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.5:
    * O T HB3   PRO   52 - HG2   PRO   52   2.49 +/- 0.26  92.868% * 99.2796% (1.00  10.0 10.00   6.16 223.46) =  99.998%  kept
          HG2   PRO   93 - HG2   PRO   52   5.07 +/- 1.65   6.895% *  0.0306% (0.31   1.0  1.00   0.02   0.44) =   0.002%
          HB3   GLN   90 - HG2   PRO   52   9.64 +/- 2.02   0.168% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   52   8.62 +/- 0.60   0.064% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.92 +/- 1.56   0.003% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.50 +/- 1.38   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  21.98 +/- 1.46   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.36 +/- 1.45   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.47 +/- 1.66   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.73 +/- 1.63   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.31 +/- 1.39   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.31 +/- 1.45   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.53 +/- 1.82   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.83 +/- 1.21   0.000% *  0.0153% (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 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 223.5:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.880% * 98.7160% (1.00  10.0 10.00   5.99 223.46) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.26 +/- 1.52   0.120% *  0.0305% (0.31   1.0  1.00   0.02   0.44) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.51 +/- 0.70   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  19.01 +/- 1.83   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.73 +/- 2.20   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.08 +/- 1.29   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.71 +/- 1.87   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.15 +/- 1.39   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 223.5:
    * O T HD2   PRO   52 - HG2   PRO   52   2.53 +/- 0.28  99.935% * 99.4673% (1.00  10.0 10.00   6.48 223.46) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.22 +/- 0.74   0.056% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  14.60 +/- 1.85   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.56 +/- 1.75   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  19.82 +/- 2.48   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  21.70 +/- 1.02   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.68 +/- 1.43   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  24.88 +/- 1.37   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.82 +/- 1.21   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.93 +/- 2.06   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.65 +/- 1.88   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.57 +/- 1.94   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 = 223.4:
    * O T HA    PRO   52 - HG3   PRO   52   3.92 +/- 0.04  92.287% * 98.8988% (1.00  10.0 10.00   5.97 223.46) =  99.993%  kept
        T HA    PRO   52 - HG2   PRO   58   9.60 +/- 0.54   0.460% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   91 - HG3   PRO   52   7.92 +/- 2.35   6.224% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52  10.14 +/- 1.38   0.485% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  10.66 +/- 1.79   0.363% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  12.77 +/- 1.44   0.100% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.74 +/- 1.58   0.064% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.75 +/- 1.53   0.012% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.01 +/- 2.46   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  23.33 +/- 0.69   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.32 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.5:
    * O T HB2   PRO   52 - HG3   PRO   52   2.52 +/- 0.29  99.502% * 98.4337% (1.00  10.0 10.00   6.09 223.46) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.45 +/- 0.40   0.477% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  10.97 +/- 0.68   0.017% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  18.04 +/- 2.09   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.56 +/- 1.07   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.26 +/- 1.15   0.001% *  0.0557% (0.57   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 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.4:
    * O T HB3   PRO   52 - HG3   PRO   52   2.65 +/- 0.26  94.144% * 97.4419% (1.00  10.0 10.00   6.16 223.46) =  99.982%  kept
        T HG2   PRO   93 - HG3   PRO   52   5.52 +/- 1.84   5.496% *  0.3008% (0.31   1.0 10.00   0.02   0.44) =   0.018%
        T HB3   PRO   52 - HG2   PRO   58  10.65 +/- 0.72   0.029% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.78 +/- 1.33   0.034% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.75 +/- 0.60   0.096% *  0.0366% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.11 +/- 1.00   0.092% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.09 +/- 2.08   0.064% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.89 +/- 0.91   0.024% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.24 +/- 1.00   0.012% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.25 +/- 1.85   0.002% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.07 +/- 0.86   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.64 +/- 1.65   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.36 +/- 0.98   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.13 +/- 1.75   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.95 +/- 0.73   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.60 +/- 0.96   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.61 +/- 1.99   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.11 +/- 1.06   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.91 +/- 2.01   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.78 +/- 2.13   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.55 +/- 1.89   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.88 +/- 1.01   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.82 +/- 1.14   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.49 +/- 1.66   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.74 +/- 0.89   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.53 +/- 0.94   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.82 +/- 2.29   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.05 +/- 1.58   0.000% *  0.0150% (0.15   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 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.981, support = 5.96, residual support = 221.8:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  83.652% * 86.8129% (1.00  10.0 10.00   5.99 223.46) =  97.849%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.37 +/- 0.20  14.710% * 10.8440% (0.12  10.0 10.00   4.27 147.05) =   2.149%  kept
          HG2   MET   92 - HG3   PRO   52   5.90 +/- 2.70   1.633% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  12.51 +/- 0.70   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.10 +/- 1.80   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.40 +/- 1.63   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.58 +/- 0.55   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.00 +/- 2.24   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.84 +/- 1.73   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.16 +/- 0.64   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.45 +/- 1.75   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.58 +/- 2.73   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  25.41 +/- 1.94   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.50 +/- 1.07   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 = 6.48, residual support = 223.5:
    * O T HD2   PRO   52 - HG3   PRO   52   2.64 +/- 0.28  99.898% * 96.1754% (1.00  10.0 10.00   6.48 223.46) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.30 +/- 0.32   0.012% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.52 +/- 1.03   0.050% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.03 +/- 2.05   0.005% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.96 +/- 0.44   0.009% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  15.57 +/- 2.28   0.006% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.73 +/- 0.85   0.011% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.94 +/- 1.91   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  15.44 +/- 0.52   0.003% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  16.90 +/- 0.83   0.002% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  30.36 +/- 0.89   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  31.27 +/- 2.51   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.24 +/- 2.64   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  21.87 +/- 1.48   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.95 +/- 2.00   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.01 +/- 2.41   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.62 +/- 0.69   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  25.34 +/- 1.00   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.44 +/- 0.91   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  25.22 +/- 1.48   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.09 +/- 1.95   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.96 +/- 1.43   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.90 +/- 2.47   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.54 +/- 2.16   0.000% *  0.0266% (0.28   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 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 = 44.0:
    * O T HB2   CYS   53 - HA    CYS   53   2.97 +/- 0.10  97.996% * 99.5207% (1.00  10.0 10.00   2.96  44.02) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.27 +/- 0.03   1.125% *  0.0684% (0.69   1.0  1.00   0.02  53.82) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.69 +/- 0.54   0.873% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.18 +/- 2.35   0.002% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.23 +/- 2.27   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.15 +/- 1.26   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  25.49 +/- 0.95   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 = 3.26, residual support = 44.0:
    * O T HB3   CYS   53 - HA    CYS   53   2.56 +/- 0.18  94.081% * 99.5685% (1.00  10.0 10.00   3.26  44.02) =  99.994%  kept
          QB    PHE   55 - HA    CYS   53   4.64 +/- 0.37   3.254% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    CYS   53   5.46 +/- 1.24   2.299% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    CYS   53   7.19 +/- 0.87   0.264% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    CYS   53   8.10 +/- 0.31   0.102% *  0.0987% (0.99   1.0  1.00   0.02  31.90) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.67 +/- 1.13   0.000% *  0.0919% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.0:
    * O T HA    CYS   53 - HB2   CYS   53   2.97 +/- 0.10  99.992% * 98.9901% (1.00  10.0 10.00   2.96  44.02) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYS   53  22.01 +/- 0.88   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  18.91 +/- 1.10   0.002% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.61 +/- 1.37   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.97 +/- 0.97   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.47 +/- 1.01   0.001% *  0.0482% (0.49   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 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 = 3.33, residual support = 44.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.823% * 99.5685% (1.00  10.0 10.00   3.33  44.02) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.45 +/- 1.50   0.105% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.33 +/- 0.24   0.046% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.25 +/- 0.43   0.021% *  0.0987% (0.99   1.0  1.00   0.02  31.90) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.40 +/- 0.90   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.79 +/- 1.34   0.000% *  0.0919% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 44.0:
    * O T HA    CYS   53 - HB3   CYS   53   2.56 +/- 0.18  99.995% * 99.7562% (1.00  10.0 10.00   3.26  44.02) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.58 +/- 1.40   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.32 +/- 1.07   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  21.31 +/- 0.85   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.35 +/- 1.37   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  21.97 +/- 1.00   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 = 3.33, residual support = 44.0:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.902% * 99.6975% (1.00  10.0 10.00   3.33  44.02) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.81 +/- 0.59   0.089% *  0.0685% (0.69   1.0  1.00   0.02  53.82) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.42 +/- 0.45   0.009% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  16.53 +/- 1.98   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  18.35 +/- 2.03   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.64 +/- 1.23   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  25.99 +/- 0.89   0.000% *  0.0410% (0.41   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 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 165.9:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.79 +/- 0.06  95.719% * 98.6035% (1.00  10.0 10.00   5.75 165.89) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.24 +/- 0.75   2.977% *  0.0263% (0.27   1.0  1.00   0.02   8.42) =   0.001%
          HB2   PRO   93 - HA    LEU  115   9.44 +/- 2.08   0.917% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ARG+  54   8.29 +/- 1.43   0.247% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.51 +/- 0.38   0.124% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.70 +/- 0.84   0.005% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.17 +/- 1.04   0.004% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.46 +/- 1.52   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  23.76 +/- 1.68   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.63 +/- 1.02   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.65 +/- 0.74   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  24.61 +/- 0.91   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.74 +/- 0.60   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.22 +/- 1.51   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.59 +/- 1.62   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  32.76 +/- 1.61   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.39 +/- 1.18   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.04 +/- 0.85   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.40 +/- 0.87   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.28 +/- 2.14   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 0.15 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.49 +/- 0.59  98.023% * 96.1276% (1.00  10.0 10.00   5.69 165.89) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.64 +/- 0.36   0.291% *  0.3608% (0.38   1.0 10.00   0.02   1.76) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.46 +/- 0.60   0.748% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.12 +/- 0.58   0.209% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   7.81 +/- 0.27   0.221% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.74 +/- 1.11   0.396% *  0.0122% (0.13   1.0  1.00   0.02   0.34) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  11.59 +/- 1.52   0.039% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.21 +/- 1.32   0.008% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.26 +/- 1.52   0.001% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  15.33 +/- 1.53   0.006% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  18.59 +/- 1.58   0.002% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.46 +/- 0.78   0.039% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.57 +/- 1.19   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.51 +/- 0.87   0.002% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.94 +/- 0.44   0.005% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  23.84 +/- 1.75   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.19 +/- 0.96   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  18.73 +/- 1.28   0.002% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.82 +/- 0.71   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  20.54 +/- 1.22   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.98 +/- 0.84   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.30 +/- 0.97   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.32 +/- 0.94   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.06 +/- 1.17   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.65 +/- 1.02   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.06 +/- 1.36   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.40 +/- 0.77   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.53 +/- 1.41   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 0.11 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.31, residual support = 152.7:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.10 +/- 0.41  59.883% * 72.2591% (1.00 10.00   5.41 165.89) =  91.092%  kept
          HB3   CYS   53 - HA    ARG+  54   5.32 +/- 0.41  14.564% * 14.8885% (0.99  1.00   4.16  31.90) =   4.565%  kept
          QB    PHE   55 - HA    ARG+  54   5.08 +/- 0.04  16.659% * 12.3738% (0.80  1.00   4.28   3.93) =   4.339%  kept
          HB2   PHE   59 - HA    LEU  115   6.23 +/- 0.94   6.810% *  0.0117% (0.16  1.00   0.02  29.65) =   0.002%
          HB2   PHE   59 - HA    ARG+  54   8.53 +/- 0.60   0.808% *  0.0380% (0.53  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    ARG+  54   9.50 +/- 1.13   0.471% *  0.0648% (0.90  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.24 +/- 0.85   0.522% *  0.0178% (0.25  1.00   0.02   4.69) =   0.000%
          HD3   PRO   93 - HA    LEU  115  11.68 +/- 1.38   0.180% *  0.0199% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.45 +/- 1.12   0.014% *  0.2223% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.80 +/- 1.01   0.070% *  0.0220% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  16.65 +/- 1.27   0.015% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.01 +/- 0.92   0.003% *  0.0627% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 165.9:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.79 +/- 0.06  99.980% * 98.5625% (1.00  10.0 10.00   5.75 165.89) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.70 +/- 0.84   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.38 +/- 1.57   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  23.76 +/- 1.68   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  15.03 +/- 1.57   0.005% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.68 +/- 0.76   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.59 +/- 1.62   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  25.95 +/- 1.31   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  18.71 +/- 2.10   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  19.30 +/- 1.63   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.67 +/- 1.28   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  32.76 +/- 1.61   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  22.84 +/- 3.89   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  21.64 +/- 3.09   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.53 +/- 1.02   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  26.31 +/- 2.33   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.28 +/- 2.14   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.83 +/- 0.75   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.51 +/- 1.53   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.81 +/- 1.15   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.25 +/- 2.13   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  27.43 +/- 3.07   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  31.75 +/- 3.90   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.67 +/- 2.81   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.00 +/- 1.64   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  37.36 +/- 3.00   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.46 +/- 2.19   0.000% *  0.0017% (0.02   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 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 164.6:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.47 +/- 0.53  93.776% * 85.5065% (1.00  10.0 10.00   4.82 165.89) =  99.211%  kept
          QB    PHE   55 - HB2   ARG+  54   4.49 +/- 0.44   5.202% * 12.2308% (0.80   1.0  1.00   3.57   3.93) =   0.787%  kept
        T HD3   PRO   93 - HB2   ARG+  54  10.18 +/- 1.21   0.103% *  0.7668% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB2   ARG+  54   6.69 +/- 0.78   0.878% *  0.0847% (0.99   1.0  1.00   0.02  31.90) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.24 +/- 0.53   0.031% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  13.59 +/- 1.40   0.007% *  0.1091% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.19 +/- 0.94   0.000% *  0.7417% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  19.85 +/- 3.04   0.001% *  0.0717% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  26.60 +/- 1.61   0.000% *  0.1257% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.43 +/- 1.53   0.000% *  0.1128% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  24.01 +/- 2.48   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  21.80 +/- 1.25   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.55 +/- 1.41   0.000% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  35.20 +/- 2.52   0.000% *  0.0827% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  37.14 +/- 1.69   0.000% *  0.0741% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.53 +/- 1.58   0.000% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.51 +/- 1.60   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.64 +/- 1.89   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 165.9:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.10 +/- 0.41  99.946% * 99.0328% (1.00 10.00   5.41 165.89) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.45 +/- 1.12   0.028% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  20.02 +/- 2.26   0.013% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.38 +/- 0.84   0.010% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.23 +/- 1.41   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  29.04 +/- 1.49   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.85 +/- 1.29   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.49 +/- 0.66   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  37.09 +/- 1.50   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 = 4.82, residual support = 165.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.47 +/- 0.53  99.973% * 97.9068% (1.00  10.0 10.00   4.82 165.89) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.50 +/- 1.31   0.024% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.94 +/- 1.35   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  19.49 +/- 1.43   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  28.15 +/- 1.42   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  26.60 +/- 1.61   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  27.25 +/- 1.48   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.26 +/- 2.08   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  35.20 +/- 2.52   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.83 +/- 1.24   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 = 4.65, residual support = 165.9:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.90 +/- 0.12  99.805% * 97.2335% (1.00  10.0 10.00   4.65 165.89) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.34 +/- 0.66   0.102% *  0.3649% (0.38   1.0 10.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.62 +/- 0.74   0.084% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  19.39 +/- 2.44   0.002% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  16.59 +/- 1.90   0.004% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.64 +/- 1.88   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.57 +/- 0.92   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.58 +/- 1.27   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.46 +/- 1.54   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.22 +/- 1.08   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.90 +/- 1.26   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.76 +/- 1.49   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  27.29 +/- 1.46   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.28 +/- 1.80   0.000% *  0.0270% (0.28   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 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 20.2:
    * O T QB    PHE   55 - HA    PHE   55   2.52 +/- 0.07  98.985% * 99.2105% (1.00  10.0 10.00   3.52  20.16) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.88 +/- 0.46   0.713% *  0.0794% (0.80   1.0  1.00   0.02   3.93) =   0.001%
          HB2   PHE   59 - HA    PHE   55   7.38 +/- 0.39   0.167% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   8.15 +/- 0.16   0.089% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55  10.37 +/- 0.97   0.026% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.61 +/- 0.79   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.69 +/- 1.13   0.008% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.43 +/- 0.84   0.008% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.86 +/- 0.48   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.89 +/- 0.80   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.12 +/- 0.82   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  22.03 +/- 1.08   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 20.2:
    * O T HA    PHE   55 - QB    PHE   55   2.52 +/- 0.07  97.753% * 99.2581% (1.00  10.0 10.00   3.52  20.16) =  99.998%  kept
          HA    ALA  110 - QB    PHE   55   6.15 +/- 2.25   2.242% *  0.0861% (0.87   1.0  1.00   0.02   0.28) =   0.002%
        T HA    VAL   42 - QB    PHE   55  16.61 +/- 0.79   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  14.03 +/- 1.03   0.004% *  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 = 4.41, residual support = 122.7:
    * O T HB    ILE   56 - HA    ILE   56   2.67 +/- 0.25  98.929% * 98.8500% (1.00  10.0 10.00   4.41 122.69) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   5.93 +/- 0.24   0.886% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HA    ILE   56   8.21 +/- 0.83   0.152% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.52 +/- 1.18   0.013% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  12.77 +/- 1.22   0.012% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  14.64 +/- 0.71   0.004% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.74 +/- 1.03   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.24 +/- 0.89   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.35 +/- 0.82   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.36 +/- 0.95   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.76 +/- 0.88   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.52 +/- 0.97   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.81 +/- 1.45   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 = 4.7, residual support = 122.7:
    * O   QG2   ILE   56 - HA    ILE   56   2.93 +/- 0.17  99.939% * 98.4757% (1.00  10.0  1.00   4.70 122.69) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.69 +/- 1.41   0.035% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.56 +/- 0.98   0.019% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  28.26 +/- 1.49   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  22.25 +/- 1.05   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.53 +/- 0.77   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.82 +/- 0.64   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  18.91 +/- 0.83   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.25 +/- 0.69   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.94 +/- 1.09   0.001% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 122.7:
    * O T QG1   ILE   56 - HA    ILE   56   2.78 +/- 0.33  99.960% * 97.9351% (1.00  10.0 10.00   3.76 122.69) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  13.79 +/- 1.17   0.007% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.82 +/- 0.78   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  19.41 +/- 0.49   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  11.50 +/- 1.53   0.027% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  18.66 +/- 1.75   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  16.57 +/- 0.70   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 0.06 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 122.7:
    * O T HA    ILE   56 - HB    ILE   56   2.67 +/- 0.25  99.824% * 98.4172% (1.00  10.0 10.00   4.41 122.69) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   7.99 +/- 0.53   0.145% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56  10.55 +/- 1.01   0.028% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.40 +/- 2.09   0.001% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  20.71 +/- 0.86   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.16 +/- 0.98   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.43 +/- 1.04   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.30 +/- 1.13   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.75 +/- 1.08   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 122.7:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  99.977% * 98.4757% (1.00  10.0 10.00   5.49 122.69) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56   9.95 +/- 1.65   0.018% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  11.98 +/- 1.16   0.004% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  17.89 +/- 0.87   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.32 +/- 1.70   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.27 +/- 0.86   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.39 +/- 1.22   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.98 +/- 0.87   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.48 +/- 0.83   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  21.01 +/- 1.21   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 122.7:
    * O T QG1   ILE   56 - HB    ILE   56   2.26 +/- 0.06  99.936% * 98.7886% (1.00  10.0 10.00   4.46 122.69) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  12.82 +/- 0.99   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   9.22 +/- 1.96   0.058% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.62 +/- 0.85   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.59 +/- 2.29   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  15.83 +/- 0.76   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.81 +/- 0.97   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 = 5.49, residual support = 122.7:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  99.774% * 98.4311% (1.00  10.0 10.00   5.49 122.69) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.86 +/- 0.48   0.096% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.20 +/- 0.20   0.066% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   8.32 +/- 0.97   0.035% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.07 +/- 0.86   0.019% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.70 +/- 0.72   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.58 +/- 0.82   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.54 +/- 1.40   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.65 +/- 1.02   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.94 +/- 1.39   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.94 +/- 0.68   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.59 +/- 1.02   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.38 +/- 1.40   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 = 4.7, residual support = 122.7:
    * O T QG1   ILE   56 - QG2   ILE   56   2.16 +/- 0.08  99.871% * 98.7886% (1.00  10.0 10.00   4.70 122.69) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.30 +/- 0.80   0.009% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   7.26 +/- 1.15   0.112% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  15.71 +/- 0.66   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  13.04 +/- 1.63   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  11.88 +/- 1.30   0.004% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.58 +/- 1.00   0.001% *  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 = 122.7:
    * O T HA    ILE   56 - QG1   ILE   56   2.78 +/- 0.33  99.189% * 98.1263% (1.00  10.0 10.00   3.76 122.69) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.78 +/- 0.90   0.122% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   7.01 +/- 0.42   0.670% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  16.83 +/- 0.55   0.003% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.21 +/- 1.00   0.010% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.41 +/- 0.76   0.003% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.21 +/- 0.92   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.86 +/- 0.96   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.03 +/- 1.02   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 0.03 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 122.7:
    * O T HB    ILE   56 - QG1   ILE   56   2.26 +/- 0.06  99.820% * 98.6066% (1.00  10.0 10.00   4.46 122.69) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   8.94 +/- 0.98   0.037% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   7.56 +/- 0.29   0.073% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.31 +/- 0.95   0.027% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.80 +/- 0.76   0.032% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.23 +/- 0.68   0.007% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.53 +/- 0.72   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.38 +/- 0.83   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.17 +/- 0.74   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.95 +/- 0.67   0.000% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  17.26 +/- 1.01   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.76 +/- 0.96   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.46 +/- 1.30   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 = 4.7, residual support = 122.7:
    * O T QG2   ILE   56 - QG1   ILE   56   2.16 +/- 0.08  99.964% * 98.4757% (1.00  10.0 10.00   4.70 122.69) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.12 +/- 0.88   0.021% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.39 +/- 1.10   0.012% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.28 +/- 1.01   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.70 +/- 1.40   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.02 +/- 0.75   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.74 +/- 0.67   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  15.63 +/- 0.98   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.48 +/- 0.98   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.54 +/- 1.06   0.000% *  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 = 0.931, support = 6.59, residual support = 143.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  47.281% * 97.5352% (0.95  10.0 10.00   6.70 147.05) =  97.838%  kept
          HA    ILE   56 - HD2   PRO   58   3.73 +/- 0.20  52.565% *  1.9383% (0.26   1.0  1.00   1.43   0.02) =   2.162%  kept
          HA    THR   46 - HD2   PRO   58  10.46 +/- 0.96   0.126% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.30 +/- 0.81   0.018% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.82 +/- 0.73   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.20 +/- 0.79   0.006% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.83 +/- 0.54   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.90 +/- 0.98   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.79 +/- 0.52   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.07 +/- 1.34   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  29.24 +/- 0.86   0.000% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.1:
    * O T HB2   PRO   58 - HD2   PRO   58   4.06 +/- 0.18  99.442% * 99.3830% (0.95  10.0 10.00   6.92 147.05) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.24 +/- 1.07   0.272% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.06 +/- 0.59   0.269% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.83 +/- 0.99   0.015% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.50 +/- 0.55   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  28.07 +/- 1.02   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 0.04 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 7.0, residual support = 147.0:
    * O T HB3   PRO   58 - HD2   PRO   58   3.59 +/- 0.18  89.921% * 97.3078% (0.79  10.0 10.00   7.00 147.05) =  99.992%  kept
          HB    ILE   56 - HD2   PRO   58   5.66 +/- 0.16   5.968% *  0.0973% (0.79   1.0  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HD2   PRO   58   6.52 +/- 0.83   4.061% *  0.0180% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  15.23 +/- 1.01   0.017% *  0.1124% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  23.40 +/- 0.72   0.001% *  1.1650% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.48 +/- 1.13   0.015% *  0.0479% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.34 +/- 1.41   0.000% *  1.1020% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  18.96 +/- 1.38   0.005% *  0.0360% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.61 +/- 0.66   0.007% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.61 +/- 1.11   0.002% *  0.0437% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  24.25 +/- 0.82   0.001% *  0.0290% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.82 +/- 1.74   0.000% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.14 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 147.1:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.867% * 98.7160% (0.95  10.0 10.00   6.62 147.05) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.18 +/- 0.51   0.033% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.53 +/- 1.02   0.098% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  22.76 +/- 1.52   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  20.46 +/- 1.03   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.08 +/- 0.79   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.34 +/- 1.90   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  27.03 +/- 0.74   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 = 6.26, residual support = 147.1:
    * O T HB2   PRO   58 - HA    PRO   58   2.69 +/- 0.13  99.971% * 99.2784% (1.00  10.0 10.00   6.26 147.05) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  11.57 +/- 1.20   0.021% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.63 +/- 1.05   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.23 +/- 0.63   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  25.55 +/- 0.53   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  27.85 +/- 1.03   0.000% *  0.0276% (0.28   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 147.0:
    * O T HB3   PRO   58 - HA    PRO   58   2.35 +/- 0.13  99.881% * 98.4544% (0.84  10.0 10.00   6.20 147.05) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.99 +/- 0.53   0.084% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58   9.53 +/- 0.84   0.032% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  17.49 +/- 0.82   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.63 +/- 1.06   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.80 +/- 0.68   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.78 +/- 0.65   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.50 +/- 1.26   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.88 +/- 1.45   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  23.08 +/- 0.97   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.30 +/- 0.84   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  28.64 +/- 1.95   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 = 147.1:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.736% * 98.7160% (1.00  10.0 10.00   5.98 147.05) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.37 +/- 0.68   0.047% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.54 +/- 0.95   0.186% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  19.87 +/- 1.42   0.007% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.98 +/- 1.10   0.018% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.14 +/- 2.09   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  22.07 +/- 0.99   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  25.51 +/- 0.68   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.24 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.1:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.723% * 98.5403% (0.95  10.0 10.00   6.70 147.05) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.38 +/- 0.93   0.273% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  24.34 +/- 0.71   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.43 +/- 0.80   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  25.12 +/- 1.80   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.1:
    * O T HA    PRO   58 - HB2   PRO   58   2.69 +/- 0.13  98.430% * 99.4356% (1.00  10.0 10.00   6.26 147.05) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.45 +/- 0.22   1.549% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.40 +/- 0.89   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.58 +/- 0.74   0.006% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  13.90 +/- 0.82   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.54 +/- 0.71   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  20.49 +/- 0.87   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.72 +/- 1.06   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.42 +/- 0.91   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  27.68 +/- 1.51   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  28.31 +/- 1.03   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 = 4.48, residual support = 147.1:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.983% * 98.9371% (0.84  10.0 10.00   4.48 147.05) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.92 +/- 0.56   0.014% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.39 +/- 1.08   0.003% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.58 +/- 1.42   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.92 +/- 1.06   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.54 +/- 0.91   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.28 +/- 1.01   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.52 +/- 0.73   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  26.66 +/- 1.66   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.42 +/- 1.18   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.78 +/- 0.95   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.52 +/- 2.28   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 = 147.1:
    * O T HG2   PRO   58 - HB2   PRO   58   2.37 +/- 0.20  99.990% * 98.7160% (1.00  10.0 10.00   4.27 147.05) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.58 +/- 0.55   0.002% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  12.13 +/- 0.89   0.006% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  18.08 +/- 0.92   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  22.02 +/- 1.31   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.00 +/- 2.42   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  23.66 +/- 1.06   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.96 +/- 0.72   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 = 6.92, residual support = 147.1:
    * O T HD2   PRO   58 - HB2   PRO   58   4.06 +/- 0.18  99.785% * 98.5403% (0.95  10.0 10.00   6.92 147.05) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.52 +/- 0.73   0.210% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  25.15 +/- 0.97   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.36 +/- 1.07   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.59 +/- 2.06   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 6.2, residual support = 147.0:
    * O T HA    PRO   58 - HB3   PRO   58   2.35 +/- 0.13  99.524% * 99.1888% (0.84  10.0 10.00   6.20 147.05) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.93 +/- 0.24   0.467% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  13.41 +/- 0.91   0.003% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  13.48 +/- 0.80   0.003% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.03 +/- 0.92   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.66 +/- 0.76   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.43 +/- 0.50   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.69 +/- 1.06   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.45 +/- 0.59   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.38 +/- 1.42   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  29.15 +/- 0.72   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 147.1:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.997% * 99.1367% (0.84  10.0 10.00   4.48 147.05) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  10.78 +/- 1.41   0.003% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  17.92 +/- 1.11   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.50 +/- 0.63   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.14 +/- 0.48   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  29.95 +/- 1.01   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 = 4.21, residual support = 147.1:
    * O T HG2   PRO   58 - HB3   PRO   58   2.89 +/- 0.20  99.972% * 97.0168% (0.84  10.0 10.00   4.21 147.05) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.58 +/- 0.49   0.007% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  21.94 +/- 1.43   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.42 +/- 0.84   0.018% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  29.90 +/- 2.32   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.57 +/- 1.04   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  24.03 +/- 0.96   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  27.46 +/- 0.64   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 0.50 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.0, residual support = 147.1:
    * O T HD2   PRO   58 - HB3   PRO   58   3.59 +/- 0.18  99.876% * 98.5403% (0.79  10.0 10.00   7.00 147.05) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.20 +/- 0.83   0.122% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.10 +/- 0.72   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.25 +/- 0.81   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.60 +/- 1.86   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 0.03 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 5.94, residual support = 146.1:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  32.942% * 97.9061% (1.00  10.0 10.00   5.98 147.05) =  99.354%  kept
          HA    ILE   56 - HG2   PRO   58   3.55 +/- 0.18  64.524% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.642%  kept
          HA    THR   46 - HG3   PRO   52   7.80 +/- 1.85   2.260% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PRO   58 - HG3   PRO   52  14.37 +/- 0.68   0.015% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52   9.72 +/- 0.84   0.185% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.30 +/- 0.89   0.042% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  15.03 +/- 0.75   0.012% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.06 +/- 0.77   0.011% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.15 +/- 0.69   0.002% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.17 +/- 0.76   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.49 +/- 2.22   0.002% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.46 +/- 2.00   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.41 +/- 0.93   0.000% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.77 +/- 2.18   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.95 +/- 0.75   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.75 +/- 1.48   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  28.77 +/- 1.43   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.64 +/- 2.06   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  25.89 +/- 1.98   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.94 +/- 0.96   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.28 +/- 2.44   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.50 +/- 2.39   0.000% *  0.0198% (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 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.637, support = 4.98, residual support = 178.8:
    * O T HB2   PRO   58 - HG2   PRO   58   2.37 +/- 0.20  14.973% * 87.8577% (1.00  10.0 10.00   4.27 147.05) =  58.505%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.018% * 10.9746% (0.12  10.0 10.00   5.99 223.46) =  41.495%  kept
          HB2   GLN  116 - HG2   PRO   58   8.76 +/- 1.21   0.008% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.58 +/- 0.55   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.51 +/- 0.70   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  15.96 +/- 2.00   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  16.78 +/- 1.15   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.18 +/- 2.00   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.63 +/- 0.75   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  25.41 +/- 1.94   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.16 +/- 2.22   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.50 +/- 1.07   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 = 4.21, residual support = 147.0:
    * O T HB3   PRO   58 - HG2   PRO   58   2.89 +/- 0.20  96.586% * 96.9979% (0.84  10.0 10.00   4.21 147.05) =  99.997%  kept
          HB    ILE   56 - HG2   PRO   58   6.05 +/- 0.44   1.340% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG3   PRO   52   7.42 +/- 2.17   1.081% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   PRO   52   7.79 +/- 1.49   0.552% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.58 +/- 0.49   0.006% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.09 +/- 2.08   0.106% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.11 +/- 1.00   0.146% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.75 +/- 0.60   0.153% *  0.0145% (0.12   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.25 +/- 1.85   0.004% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  16.21 +/- 1.19   0.004% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  14.84 +/- 1.32   0.007% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.52 +/- 1.65   0.008% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.60 +/- 0.96   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.07 +/- 0.86   0.004% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.99 +/- 0.72   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.97 +/- 2.37   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.82 +/- 1.14   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.91 +/- 2.01   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.58 +/- 1.53   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.33 +/- 2.03   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.53 +/- 0.94   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.25 +/- 2.19   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.82 +/- 2.29   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  38.85 +/- 2.01   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.46 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 = 147.0:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  98.186% * 98.7117% (0.95  10.0 10.00   6.62 147.05) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.02 +/- 0.68   1.718% *  0.0288% (0.28   1.0  1.00   0.02  53.82) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  11.18 +/- 0.51   0.032% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.13 +/- 0.60   0.059% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  17.77 +/- 3.21   0.004% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.52 +/- 2.21   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.73 +/- 0.81   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.99 +/- 2.07   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.16 +/- 0.94   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.02 +/- 2.16   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 = 3.29, residual support = 58.4:
    * O T HB2   PHE   59 - HA    PHE   59   2.98 +/- 0.20  99.757% * 99.6348% (1.00  10.0 10.00   3.29  58.43) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   8.74 +/- 0.18   0.168% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.81 +/- 0.56   0.029% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.74 +/- 0.83   0.019% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.65 +/- 0.78   0.012% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.39 +/- 0.97   0.015% *  0.0524% (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 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.4:
    * O T HB3   PHE   59 - HA    PHE   59   2.51 +/- 0.20 100.000% * 99.9552% (1.00  10.0 10.00   3.98  58.43) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.05 +/- 0.52   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 58.4:
    * O T HA    PHE   59 - HB2   PHE   59   2.98 +/- 0.20  99.924% * 99.8386% (1.00  10.0 10.00   3.29  58.43) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.08 +/- 0.82   0.073% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.02 +/- 0.71   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  23.97 +/- 2.07   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.99 +/- 0.99   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 = 58.4:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.43) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.66 +/- 0.56   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 = 3.98, residual support = 58.4:
    * O T HA    PHE   59 - HB3   PHE   59   2.51 +/- 0.20  99.948% * 99.8386% (1.00  10.0 10.00   3.98  58.43) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.13 +/- 0.93   0.051% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.17 +/- 0.78   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  24.96 +/- 2.41   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.39 +/- 1.15   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 = 58.4:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.969% * 99.6348% (1.00  10.0 10.00   3.44  58.43) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   6.99 +/- 0.31   0.026% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.34 +/- 0.51   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  11.61 +/- 0.96   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.43 +/- 1.00   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.85 +/- 0.84   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 = 72.1:
    * O T HB2   PHE   60 - HA    PHE   60   2.96 +/- 0.11  99.999% * 99.9010% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  22.59 +/- 2.72   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.1:
    * O T HB3   PHE   60 - HA    PHE   60   2.47 +/- 0.23  99.968% * 99.7797% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.67 +/- 0.74   0.023% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  12.90 +/- 0.77   0.006% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.35 +/- 0.65   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.55 +/- 1.53   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.1:
    * O T HA    PHE   60 - HB2   PHE   60   2.96 +/- 0.11  99.887% * 99.8400% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.75 +/- 0.76   0.046% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.00 +/- 0.56   0.014% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.61 +/- 0.58   0.018% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  12.49 +/- 1.76   0.030% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.26 +/- 0.70   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.1:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.24 +/- 0.97   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.01 +/- 0.93   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.00 +/- 0.71   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.53 +/- 1.67   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 = 72.1:
    * O T HA    PHE   60 - HB3   PHE   60   2.47 +/- 0.23  99.944% * 99.8400% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   9.93 +/- 1.06   0.027% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.85 +/- 0.77   0.006% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  12.63 +/- 1.77   0.017% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.46 +/- 0.74   0.005% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.82 +/- 0.76   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.1:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  72.13) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  20.97 +/- 2.51   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   2.14 +/- 0.01  99.898% * 98.4786% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   7.71 +/- 0.80   0.056% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  12.61 +/- 2.05   0.003% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.88 +/- 0.94   0.012% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.65 +/- 1.01   0.016% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.33 +/- 0.59   0.005% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.56 +/- 0.66   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.67 +/- 1.15   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.20 +/- 0.70   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  17.01 +/- 1.54   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  20.72 +/- 2.13   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  19.36 +/- 1.63   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.38 +/- 1.39   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.451% * 98.9510% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.43 +/- 0.29   0.402% *  0.0444% (0.45   1.0  1.00   0.02   0.75) =   0.000%
          HD3   PRO   58 - QB    ALA  110   7.46 +/- 2.45   0.132% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  12.61 +/- 2.05   0.003% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  11.18 +/- 0.58   0.005% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.18 +/- 0.70   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.23 +/- 1.79   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  19.34 +/- 1.24   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  15.96 +/- 0.70   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  17.23 +/- 1.21   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.81 +/- 0.25  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.51 +/- 0.81   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.81 +/- 0.23  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.08 +/- 0.74   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.83 +/- 1.77   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  28.23 +/- 1.74   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.90 +/- 0.84   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.81 +/- 0.25  99.973% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  11.89 +/- 1.37   0.026% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  22.80 +/- 0.71   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  29.34 +/- 1.96   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  16.98 +/- 1.10   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.69 +/- 1.68   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  27.78 +/- 2.05   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.60 +/- 0.77   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   2.81 +/- 0.23  99.978% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.08 +/- 0.97   0.022% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  22.73 +/- 0.73   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  29.02 +/- 1.87   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  15.69 +/- 0.96   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 = 242.2:
    * O T HB2   LEU   63 - HA    LEU   63   2.97 +/- 0.04  99.799% * 99.1997% (1.00  10.0 10.00   6.28 242.21) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63   9.85 +/- 0.76   0.086% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.61 +/- 1.09   0.064% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  13.85 +/- 1.16   0.012% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.44 +/- 0.78   0.013% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.36 +/- 0.82   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.01 +/- 2.09   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.25 +/- 0.64   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.46 +/- 0.76   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.58 +/- 1.62   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  21.53 +/- 0.98   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  24.29 +/- 2.61   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  23.76 +/- 1.08   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.2:
    * O T HB3   LEU   63 - HA    LEU   63   2.60 +/- 0.14  94.852% * 99.7424% (1.00  10.0 10.00   5.98 242.21) =  99.998%  kept
          QD1   LEU  123 - HA    LEU   63   5.21 +/- 1.30   4.502% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    LEU   63   6.28 +/- 0.47   0.569% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   9.02 +/- 0.73   0.063% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.90 +/- 0.63   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.56 +/- 0.95   0.003% *  0.0645% (0.65   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 = 242.2:
    * O T HG    LEU   63 - HA    LEU   63   2.77 +/- 0.33  99.777% * 99.8120% (1.00  10.0 10.00   5.98 242.21) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.25 +/- 0.98   0.214% *  0.0154% (0.15   1.0  1.00   0.02   0.42) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.29 +/- 1.23   0.007% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  16.87 +/- 0.96   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.605, support = 5.64, residual support = 242.2:
        T QD2   LEU   63 - HA    LEU   63   2.29 +/- 0.28  94.559% * 35.7505% (0.57 10.00   5.63 242.21) =  91.053%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.81 +/- 0.12   5.260% * 63.1462% (1.00 10.00   5.67 242.21) =   8.947%  kept
          QD2   LEU  115 - HA    LEU   63   7.12 +/- 0.92   0.160% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  10.34 +/- 0.89   0.016% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.32 +/- 0.36   0.005% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  19.56 +/- 2.47   0.000% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  20.43 +/- 2.21   0.000% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 5.64, residual support = 242.2:
    *   T QD2   LEU   63 - HA    LEU   63   2.29 +/- 0.28  94.561% * 63.5438% (1.00 10.00   5.63 242.21) =  96.947%  kept
        T QD1   LEU   63 - HA    LEU   63   3.81 +/- 0.12   5.260% * 35.9756% (0.57 10.00   5.67 242.21) =   3.053%  kept
          QD2   LEU  115 - HA    LEU   63   7.12 +/- 0.92   0.160% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.32 +/- 0.36   0.005% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.58 +/- 0.51   0.007% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.45 +/- 1.08   0.006% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  20.65 +/- 2.98   0.000% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  19.56 +/- 2.47   0.000% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.2:
    * O T HA    LEU   63 - HB2   LEU   63   2.97 +/- 0.04  99.997% * 99.2046% (1.00  10.0 10.00   6.28 242.21) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.25 +/- 0.67   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  18.97 +/- 0.80   0.002% *  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 = 242.2:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.914% * 99.7424% (1.00  10.0 10.00   6.31 242.21) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.41 +/- 0.68   0.021% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.25 +/- 0.64   0.024% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.15 +/- 1.28   0.039% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  12.78 +/- 0.96   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.59 +/- 0.77   0.001% *  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 = 242.2:
    * O T HG    LEU   63 - HB2   LEU   63   2.55 +/- 0.11  99.771% * 99.8120% (1.00  10.0 10.00   6.31 242.21) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.36 +/- 0.83   0.219% *  0.0154% (0.15   1.0  1.00   0.02   0.42) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.13 +/- 1.57   0.008% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  15.07 +/- 0.88   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.968, support = 6.22, residual support = 242.2:
    * O T QD1   LEU   63 - HB2   LEU   63   2.27 +/- 0.16  87.470% * 63.1462% (1.00  10.0 10.00   6.23 242.21) =  92.623%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.18 +/- 0.03  12.305% * 35.7505% (0.57  10.0 10.00   6.17 242.21) =   7.377%  kept
          QD2   LEU  115 - HB2   LEU   63   6.52 +/- 0.85   0.207% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.81 +/- 0.45   0.008% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.96 +/- 0.81   0.008% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  17.40 +/- 2.53   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  18.22 +/- 2.22   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.652, support = 6.22, residual support = 242.2:
      O T QD1   LEU   63 - HB2   LEU   63   2.27 +/- 0.16  87.463% * 35.9756% (0.57  10.0 10.00   6.23 242.21) =  80.097%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.18 +/- 0.03  12.304% * 63.5438% (1.00  10.0 10.00   6.17 242.21) =  19.903%  kept
          QD2   LEU  115 - HB2   LEU   63   6.52 +/- 0.85   0.207% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.81 +/- 0.45   0.008% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.75 +/- 0.65   0.009% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.48 +/- 1.00   0.007% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  18.47 +/- 3.01   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  17.40 +/- 2.53   0.001% *  0.0141% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.2:
    * O T HA    LEU   63 - HB3   LEU   63   2.60 +/- 0.14  99.998% * 99.8862% (1.00  10.0 10.00   5.98 242.21) = 100.000%  kept
          HA2   GLY  101 - HB3   LEU   63  17.65 +/- 0.95   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LEU   63  20.31 +/- 0.83   0.000% *  0.0763% (0.76   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.2:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.977% * 99.1997% (1.00  10.0 10.00   6.31 242.21) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.80 +/- 0.93   0.017% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.74 +/- 1.23   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  11.83 +/- 1.18   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.92 +/- 0.86   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.15 +/- 2.23   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  13.50 +/- 0.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.61 +/- 0.59   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.42 +/- 1.19   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.60 +/- 1.65   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  19.82 +/- 1.15   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  22.20 +/- 3.00   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  22.01 +/- 1.22   0.000% *  0.0174% (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 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 = 242.2:
    * O T HG    LEU   63 - HB3   LEU   63   3.01 +/- 0.02  99.416% * 99.8120% (1.00  10.0 10.00   6.00 242.21) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.45 +/- 0.99   0.565% *  0.0154% (0.15   1.0  1.00   0.02   0.42) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.28 +/- 1.56   0.011% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  14.88 +/- 0.97   0.007% *  0.0963% (0.97   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 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.79, support = 5.9, residual support = 242.2:
    * O T QD1   LEU   63 - HB3   LEU   63   2.48 +/- 0.17  37.671% * 63.1462% (1.00  10.0 10.00   5.93 242.21) =  51.672%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.26 +/- 0.17  62.232% * 35.7505% (0.57  10.0 10.00   5.87 242.21) =  48.328%  kept
          QD2   LEU  115 - HB3   LEU   63   7.22 +/- 0.90   0.079% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.43 +/- 0.71   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   9.76 +/- 0.86   0.011% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  17.87 +/- 2.87   0.000% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  18.62 +/- 2.43   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 = 0.889, support = 5.89, residual support = 242.2:
    * O T QD2   LEU   63 - HB3   LEU   63   2.26 +/- 0.17  62.229% * 63.5438% (1.00  10.0 10.00   5.87 242.21) =  74.477%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.48 +/- 0.17  37.669% * 35.9756% (0.57  10.0 10.00   5.93 242.21) =  25.523%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.43 +/- 0.71   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.22 +/- 0.90   0.079% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.92 +/- 0.85   0.009% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  10.68 +/- 1.06   0.006% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  18.96 +/- 3.32   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  17.87 +/- 2.87   0.000% *  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 = 242.2:
    * O T HA    LEU   63 - HG    LEU   63   2.77 +/- 0.33  99.998% * 99.8862% (1.00  10.0 10.00   5.98 242.21) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  22.14 +/- 1.37   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.13 +/- 1.00   0.001% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.2:
    * O T HB2   LEU   63 - HG    LEU   63   2.55 +/- 0.11  99.821% * 99.1997% (1.00  10.0 10.00   6.31 242.21) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.48 +/- 1.11   0.113% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  10.81 +/- 1.44   0.029% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.32 +/- 0.92   0.014% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.24 +/- 1.35   0.006% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.59 +/- 2.08   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  14.83 +/- 0.83   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.59 +/- 0.55   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  20.39 +/- 1.08   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  20.29 +/- 0.98   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  23.17 +/- 2.82   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.44 +/- 1.60   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  22.24 +/- 1.03   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.2:
    * O T HB3   LEU   63 - HG    LEU   63   3.01 +/- 0.02  92.262% * 99.7424% (1.00  10.0 10.00   6.00 242.21) =  99.997%  kept
          QD1   LEU  123 - HG    LEU   63   5.75 +/- 1.58   6.906% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - HG    LEU   63   7.53 +/- 0.89   0.580% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU   63   9.13 +/- 1.16   0.213% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.66 +/- 0.99   0.019% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.66 +/- 1.06   0.020% *  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 = 0.842, support = 5.63, residual support = 242.2:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.429% * 63.0834% (1.00  10.0 10.00   5.65 242.21) =  63.473%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  50.242% * 35.7149% (0.57  10.0 10.00   5.61 242.21) =  36.527%  kept
          QD2   LEU  115 - HG    LEU   63   5.42 +/- 1.12   0.322% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.28 +/- 0.87   0.004% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.04 +/- 0.86   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  19.43 +/- 2.53   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  18.79 +/- 2.56   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 = 0.845, support = 5.62, residual support = 242.2:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  50.242% * 63.5438% (1.00  10.0 10.00   5.61 242.21) =  64.226%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.429% * 35.9756% (0.57  10.0 10.00   5.65 242.21) =  35.773%  kept
          QD2   LEU  115 - HG    LEU   63   5.42 +/- 1.12   0.322% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.04 +/- 0.86   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.64 +/- 0.83   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.94 +/- 1.38   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  19.85 +/- 2.92   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  18.79 +/- 2.56   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 = 5.67, residual support = 242.2:
    *   T HA    LEU   63 - QD1   LEU   63   3.81 +/- 0.12  97.094% * 98.5216% (1.00 10.00   5.67 242.21) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.32 +/- 0.36   0.086% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   8.41 +/- 0.86   1.106% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.34 +/- 0.89   0.276% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   8.32 +/- 0.69   1.130% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.64 +/- 1.17   0.262% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  14.78 +/- 0.66   0.030% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.43 +/- 0.95   0.012% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.17 +/- 1.14   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 242.2:
    * O T HB2   LEU   63 - QD1   LEU   63   2.27 +/- 0.16  93.992% * 95.2053% (1.00  10.0 10.00   6.23 242.21) =  99.998%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.67 +/- 0.84   0.776% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.01 +/- 0.37   4.060% *  0.0132% (0.14   1.0  1.00   0.02  17.08) =   0.001%
          HB2   LEU   31 - QD1   LEU   73   6.47 +/- 0.96   0.328% *  0.0854% (0.90   1.0  1.00   0.02   1.33) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.81 +/- 0.97   0.226% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.81 +/- 0.45   0.009% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.79 +/- 0.83   0.084% *  0.0933% (0.98   1.0  1.00   0.02   6.55) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73  12.62 +/- 2.95   0.008% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   7.17 +/- 0.83   0.185% *  0.0187% (0.20   1.0  1.00   0.02   6.08) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.11 +/- 0.68   0.054% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.56 +/- 1.14   0.033% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.96 +/- 0.81   0.008% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.66 +/- 1.01   0.019% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.10 +/- 1.90   0.020% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   8.81 +/- 1.47   0.049% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  17.91 +/- 2.62   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.88 +/- 0.37   0.030% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.70 +/- 0.79   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  11.80 +/- 0.54   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.73 +/- 1.27   0.004% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.65 +/- 1.03   0.004% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.00 +/- 0.45   0.059% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.72 +/- 1.09   0.004% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.40 +/- 0.84   0.013% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.78 +/- 1.02   0.007% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.74 +/- 0.93   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  15.69 +/- 0.81   0.001% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.40 +/- 0.62   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.08 +/- 1.12   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.84 +/- 1.07   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.05 +/- 1.73   0.001% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.53 +/- 1.26   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.93 +/- 2.14   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  23.56 +/- 3.60   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.77 +/- 1.81   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.61   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  17.17 +/- 0.90   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  20.89 +/- 1.45   0.000% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  21.59 +/- 1.65   0.000% *  0.0041% (0.04   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 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 242.2:
    * O T HB3   LEU   63 - QD1   LEU   63   2.48 +/- 0.17  94.472% * 98.2083% (1.00  10.0 10.00   5.93 242.21) =  99.997%  kept
          QD1   LEU   71 - QD1   LEU   73   5.38 +/- 1.10   1.796% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   5.77 +/- 1.14   1.446% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.83 +/- 0.49   0.681% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.45 +/- 0.56   0.373% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.43 +/- 0.71   0.019% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.12 +/- 0.79   0.237% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.51 +/- 1.17   0.645% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.76 +/- 0.86   0.034% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.60 +/- 0.43   0.061% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.16 +/- 0.80   0.045% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   7.96 +/- 0.92   0.114% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.12 +/- 0.77   0.023% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  11.69 +/- 0.65   0.010% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.94 +/- 0.89   0.028% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.60 +/- 1.22   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.49 +/- 0.98   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.53 +/- 0.30   0.006% *  0.0156% (0.16   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 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 242.2:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  95.705% * 98.0591% (1.00  10.0 10.00   5.65 242.21) =  99.994%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.24 +/- 0.80   2.249% *  0.1513% (0.15   1.0 10.00   0.02   0.42) =   0.004%
          QG2   VAL   24 - QD1   LEU   73   4.48 +/- 0.86   1.984% *  0.0946% (0.97   1.0  1.00   0.02   2.67) =   0.002%
        T HG    LEU   63 - QD1   LEU   73  12.04 +/- 0.86   0.003% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.28 +/- 0.87   0.008% *  0.2400% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.31 +/- 0.56   0.028% *  0.0370% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.89 +/- 1.35   0.014% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.23 +/- 0.41   0.004% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  12.13 +/- 0.99   0.003% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  13.50 +/- 1.43   0.002% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.84 +/- 1.53   0.000% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.56 +/- 0.66   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 = 5.63, residual support = 242.2:
    *   T HA    LEU   63 - QD2   LEU   63   2.29 +/- 0.28  99.997% * 99.8862% (1.00 10.00   5.63 242.21) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.41 +/- 0.80   0.003% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.67 +/- 0.97   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 242.2:
    * O T HB2   LEU   63 - QD2   LEU   63   3.18 +/- 0.03  98.391% * 98.3391% (1.00  10.0 10.00   6.17 242.21) =  99.999%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.89 +/- 0.84   0.550% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   8.14 +/- 1.16   0.546% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63   9.81 +/- 0.96   0.138% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.53 +/- 0.79   0.083% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  10.57 +/- 0.67   0.079% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.80 +/- 1.86   0.041% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.54 +/- 0.68   0.148% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  20.00 +/- 2.64   0.002% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.09 +/- 0.78   0.006% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.44 +/- 1.38   0.010% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  17.63 +/- 0.86   0.004% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  19.11 +/- 0.94   0.002% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 242.2:
    * O T HB3   LEU   63 - QD2   LEU   63   2.26 +/- 0.17  85.933% * 99.7424% (1.00  10.0 10.00   5.87 242.21) =  99.994%  kept
          QD1   LEU  123 - QD2   LEU   63   4.05 +/- 1.26  13.023% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - QD2   LEU   63   5.08 +/- 0.68   0.964% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   8.07 +/- 0.78   0.055% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  10.73 +/- 0.91   0.009% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   9.82 +/- 0.75   0.015% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 242.2:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.285% * 99.6738% (1.00  10.0 10.00   5.61 242.21) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.16 +/- 1.01   0.708% *  0.1538% (0.15   1.0 10.00   0.02   0.42) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.39 +/- 1.06   0.005% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  13.25 +/- 1.15   0.002% *  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 = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.83) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.46 +/- 0.64   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 = 0.974, support = 2.02, residual support = 21.6:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.01  89.613% * 72.6945% (1.00  10.0 10.00   2.00  20.83) =  95.831%  kept
        T HB2   PHE   72 - QB    ALA   64   3.44 +/- 0.65  10.386% * 27.2831% (0.38   1.0 10.00   2.56  38.77) =   4.169%  kept
          HB3   ASN   35 - QB    ALA   64  17.37 +/- 0.68   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.4, residual support = 165.7:
    * O T QB    LYS+  65 - HA    LYS+  65   2.41 +/- 0.11  98.702% * 99.3780% (0.92  10.0 10.00   6.40 165.66) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.31 +/- 0.26   1.009% *  0.0563% (0.52   1.0  1.00   0.02  26.27) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   7.02 +/- 0.98   0.240% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  12.69 +/- 1.25   0.006% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.33 +/- 0.80   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.23 +/- 1.61   0.026% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  12.65 +/- 1.24   0.006% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.16 +/- 0.99   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.22 +/- 1.16   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.90 +/- 0.92   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.02 +/- 1.39   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.62 +/- 0.90   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.95 +/- 1.44   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.52 +/- 1.65   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.10 +/- 1.20   0.000% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.35 +/- 0.85   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 = 0.881, support = 5.4, residual support = 171.1:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.68 +/- 0.58  45.528% * 53.0514% (0.92  10.0 10.00   5.27 165.66) =  94.386%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.60 +/- 0.21  45.481% *  1.4928% (0.03  10.0 10.00   8.23 317.30) =   2.653%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.59   8.230% *  5.9339% (0.10   1.0 10.00   7.63 317.30) =   1.908%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.82 +/- 0.81   0.699% * 38.5232% (0.67   1.0 10.00   5.45  26.27) =   1.053%  kept
        T QD    LYS+  66 - HA    LYS+ 121  11.08 +/- 1.88   0.015% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  11.83 +/- 1.00   0.006% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.40 +/- 1.73   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.39 +/- 0.52   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.28   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.39 +/- 1.26   0.005% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 0.82   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.35 +/- 1.14   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.79 +/- 1.34   0.021% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.84 +/- 1.13   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.70 +/- 1.78   0.005% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.50 +/- 1.73   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.57 +/- 1.19   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.23 +/- 1.29   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.43 +/- 0.98   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.02 +/- 1.27   0.000% *  0.0050% (0.09   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 = 5.29, residual support = 166.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.15 +/- 0.56  73.484% * 94.0974% (0.92  10.0 10.00   5.27 165.66) =  99.207%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.11 +/- 0.72  26.300% *  2.1015% (0.02   1.0 10.00   6.72 317.30) =   0.793%  kept
          HB    VAL   42 - HA    LYS+  65  11.08 +/- 1.13   0.054% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  11.68 +/- 0.74   0.033% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  19.25 +/- 1.54   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.05 +/- 0.73   0.001% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.53 +/- 0.79   0.010% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  15.26 +/- 1.65   0.008% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.63 +/- 1.86   0.004% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.65 +/- 1.18   0.009% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  12.98 +/- 1.28   0.026% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  23.64 +/- 1.37   0.001% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.53 +/- 0.94   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.42 +/- 0.84   0.005% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.47 +/- 1.27   0.016% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.66 +/- 1.10   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.27 +/- 0.83   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.30 +/- 1.23   0.017% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.78 +/- 1.36   0.003% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  16.12 +/- 1.09   0.005% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.56 +/- 2.17   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.87 +/- 1.46   0.008% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  22.82 +/- 1.29   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.17 +/- 1.40   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.05 +/- 1.17   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.12 +/- 1.11   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.62 +/- 0.85   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  26.40 +/- 1.65   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 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.82, support = 5.19, residual support = 184.5:
    *   T QD    LYS+  65 - HA    LYS+  65   3.15 +/- 0.54  43.347% * 85.2402% (0.92   1.0 10.00   4.75 165.66) =  87.417%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.94 +/- 0.08  55.117% *  9.5981% (0.10  10.0 10.00   8.31 317.30) =  12.516%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.55 +/- 0.71   1.463% *  1.9190% (0.04   1.0 10.00   1.17   2.47) =   0.066%
        T HB2   LEU  123 - HA    LYS+  65  13.46 +/- 1.45   0.009% *  0.2908% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.83 +/- 1.12   0.003% *  0.8505% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.87 +/- 2.18   0.002% *  0.7869% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  11.98 +/- 1.08   0.015% *  0.0483% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.63 +/- 0.49   0.025% *  0.0237% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  14.20 +/- 1.32   0.006% *  0.0545% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  16.74 +/- 2.10   0.002% *  0.0888% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.39 +/- 1.01   0.002% *  0.0962% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.90 +/- 1.21   0.000% *  0.4826% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.03 +/- 1.96   0.000% *  0.2125% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.82 +/- 1.37   0.002% *  0.0240% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.23 +/- 1.66   0.000% *  0.1315% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.61 +/- 1.35   0.002% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.15 +/- 1.09   0.001% *  0.0320% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  25.28 +/- 1.42   0.000% *  0.0845% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.92 +/- 0.43   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.12 +/- 1.72   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.97 +/- 1.66   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  29.96 +/- 3.65   0.000% *  0.0095% (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 = 165.7:
    *   T QE    LYS+  65 - HA    LYS+  65   4.44 +/- 0.16  99.892% * 97.2340% (0.92 10.00   4.75 165.66) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  17.27 +/- 2.02   0.039% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.60 +/- 0.94   0.005% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.18 +/- 1.21   0.035% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  23.08 +/- 1.28   0.006% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  23.30 +/- 2.43   0.006% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  22.52 +/- 1.66   0.007% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  29.00 +/- 2.38   0.001% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.71 +/- 2.11   0.005% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.45 +/- 1.45   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  31.37 +/- 4.32   0.001% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.33 +/- 1.10   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.4, residual support = 165.7:
    * O T HA    LYS+  65 - QB    LYS+  65   2.41 +/- 0.11  98.994% * 98.7802% (0.92  10.0 10.00   6.40 165.66) =  99.999%  kept
          HA2   GLY   16 - QB    LYS+  65   5.69 +/- 0.95   0.986% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QB    LYS+  65  14.33 +/- 0.80   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.51 +/- 1.07   0.011% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  17.12 +/- 2.31   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.25 +/- 0.85   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.01 +/- 0.55   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.01 +/- 0.67   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  17.84 +/- 0.76   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  25.35 +/- 1.31   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.43 +/- 0.70   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  26.93 +/- 1.08   0.000% *  0.0187% (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 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 = 0.979, support = 5.65, residual support = 154.8:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.46 +/- 0.13  89.555% * 57.5064% (1.00  10.0 10.00   5.67 165.66) =  92.218%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.31 +/- 0.98  10.407% * 41.7582% (0.73   1.0 10.00   5.32  26.27) =   7.782%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.91 +/- 1.35   0.004% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  11.92 +/- 0.36   0.007% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  10.87 +/- 0.87   0.014% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.26 +/- 0.60   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.21 +/- 0.76   0.007% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.23 +/- 1.01   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.38 +/- 0.79   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.04 +/- 1.57   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 165.7:
    * O T QD    LYS+  65 - QB    LYS+  65   2.06 +/- 0.11  99.959% * 97.4795% (1.00  10.0 10.00   5.15 165.66) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.40 +/- 0.44   0.026% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.08 +/- 1.83   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.23 +/- 0.86   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  10.96 +/- 1.40   0.007% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  16.19 +/- 0.95   0.000% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.47 +/- 0.93   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.16 +/- 0.95   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.18 +/- 1.73   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.37 +/- 1.51   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.94 +/- 1.22   0.000% *  0.0966% (0.99   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 165.7:
    *   T QE    LYS+  65 - QB    LYS+  65   3.33 +/- 0.38  99.986% * 98.8300% (1.00 10.00   5.15 165.66) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  17.19 +/- 1.70   0.008% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.51 +/- 0.57   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  20.22 +/- 1.45   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.24 +/- 0.93   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  26.20 +/- 2.08   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 5.37 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 = 165.7:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.68 +/- 0.58  98.530% * 97.8884% (0.92  10.0 10.00   5.27 165.66) =  99.998%  kept
          HA2   GLY   16 - HG2   LYS+  65   6.16 +/- 1.33   1.434% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ALA  120 - HG2   LYS+  65  14.39 +/- 1.60   0.020% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.35 +/- 1.14   0.004% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  18.20 +/- 2.77   0.002% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.92 +/- 1.05   0.005% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.72 +/- 0.94   0.001% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.63 +/- 1.32   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.46 +/- 1.32   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  27.53 +/- 1.75   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.61 +/- 1.41   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  29.35 +/- 1.47   0.000% *  0.0186% (0.18   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 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 165.6:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.46 +/- 0.13  98.945% * 99.0387% (1.00  10.0 10.00   5.67 165.66) =  99.995%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.11 +/- 0.87   0.788% *  0.5607% (0.57   1.0 10.00   0.02  26.27) =   0.005%
          HB3   GLN   17 - HG2   LYS+  65   7.64 +/- 1.74   0.261% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  14.16 +/- 1.48   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  18.06 +/- 1.34   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.23 +/- 1.15   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.00 +/- 0.80   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.71 +/- 1.40   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.7:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.27 +/- 0.08  99.953% * 96.4735% (1.00  10.0 10.00   4.44 165.66) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.38 +/- 1.68   0.010% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.04 +/- 0.81   0.032% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.22 +/- 1.24   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.54 +/- 2.12   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  13.83 +/- 1.70   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  22.92 +/- 1.16   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  21.95 +/- 1.78   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.20 +/- 1.58   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.90 +/- 1.31   0.000% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  24.66 +/- 1.58   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.7:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.79 +/- 0.23  99.997% * 98.8300% (1.00  10.0 10.00   4.44 165.66) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  18.66 +/- 2.36   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.31 +/- 1.57   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  21.41 +/- 1.99   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  24.63 +/- 1.45   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  28.48 +/- 2.41   0.000% *  0.0912% (0.92   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 165.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.15 +/- 0.54  89.827% * 96.9449% (0.92 10.00   4.75 165.66) =  99.990%  kept
          HA2   GLY   16 - QD    LYS+  65   5.42 +/- 1.67   8.198% *  0.1014% (0.97  1.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - QD    LYS+  65  16.39 +/- 1.01   0.008% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.46 +/- 1.29   0.564% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  14.20 +/- 1.32   0.023% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.52 +/- 1.29   0.031% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.28 +/- 1.13   0.613% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  16.99 +/- 2.84   0.022% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.22 +/- 2.15   0.103% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  18.87 +/- 2.18   0.007% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.82 +/- 1.37   0.007% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  16.74 +/- 2.10   0.009% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  13.81 +/- 2.31   0.152% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.55 +/- 1.92   0.093% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.61 +/- 1.35   0.007% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.22 +/- 1.97   0.057% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.70 +/- 0.71   0.097% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  21.90 +/- 1.21   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.12 +/- 1.13   0.005% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.03 +/- 1.96   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.92 +/- 1.23   0.011% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.12 +/- 1.32   0.005% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  15.41 +/- 1.83   0.016% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.26 +/- 1.25   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.81 +/- 1.87   0.033% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.22 +/- 1.34   0.005% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.23 +/- 1.66   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  15.76 +/- 2.13   0.019% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  18.30 +/- 2.07   0.007% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.47 +/- 2.28   0.007% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  17.78 +/- 1.25   0.005% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.17 +/- 1.16   0.008% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.35 +/- 1.46   0.015% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  17.40 +/- 1.18   0.006% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.12 +/- 2.34   0.004% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.68 +/- 2.26   0.006% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  25.58 +/- 1.24   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  23.47 +/- 3.87   0.001% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.86 +/- 1.20   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  25.89 +/- 3.85   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  23.52 +/- 3.94   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.66 +/- 1.23   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  23.17 +/- 1.32   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.49 +/- 1.52   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  26.78 +/- 2.13   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  25.54 +/- 1.05   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  22.28 +/- 3.75   0.002% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.28 +/- 2.08   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  26.95 +/- 1.89   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  27.38 +/- 1.37   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  28.89 +/- 3.53   0.000% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.19 +/- 1.08   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  22.32 +/- 3.77   0.002% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.88 +/- 1.37   0.000% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.62 +/- 1.22   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  27.72 +/- 2.50   0.000% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.03 +/- 1.79   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.22 +/- 1.55   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  31.86 +/- 2.96   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.19 +/- 1.91   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.916, support = 5.11, residual support = 164.9:
    * O T QB    LYS+  65 - QD    LYS+  65   2.06 +/- 0.11  65.755% * 77.3143% (1.00  10.0 10.00   5.15 165.66) =  88.869%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.38 +/- 0.33  33.242% * 19.1545% (0.25  10.0 10.00   4.75 159.19) =  11.130%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.29 +/- 2.48   0.337% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65   7.13 +/- 1.84   0.160% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.08 +/- 0.68   0.158% *  0.0438% (0.57   1.0  1.00   0.02  26.27) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   7.70 +/- 1.27   0.042% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.11 +/- 2.33   0.119% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.24 +/- 0.92   0.167% *  0.0049% (0.06   1.0  1.00   0.02  22.16) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.34 +/- 0.94   0.005% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.55 +/- 0.86   0.004% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.22 +/- 1.48   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.84 +/- 1.38   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.81 +/- 1.07   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.85 +/- 1.37   0.005% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.91 +/- 0.92   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.08 +/- 1.83   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.18 +/- 1.73   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.16 +/- 0.95   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.17 +/- 1.26   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.37 +/- 1.51   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.99 +/- 1.12   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.12 +/- 1.46   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.58 +/- 1.35   0.002% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.30 +/- 1.79   0.001% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.01 +/- 1.57   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.93 +/- 1.62   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.62 +/- 1.80   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.24 +/- 2.00   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.82 +/- 1.29   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.39 +/- 1.39   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.32 +/- 1.86   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.74 +/- 1.97   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.79 +/- 1.72   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.38 +/- 2.14   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.71 +/- 1.06   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.72 +/- 1.96   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.52 +/- 1.70   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.36 +/- 1.88   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  26.92 +/- 2.14   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.12 +/- 1.84   0.000% *  0.0072% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.998, support = 4.44, residual support = 164.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.27 +/- 0.08  84.564% * 56.2052% (1.00  10.0 10.00   4.44 165.66) =  99.359%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.89 +/- 1.07   0.744% * 40.8133% (0.73   1.0 10.00   4.22  26.27) =   0.635%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.56 +/- 0.51   9.434% *  0.0151% (0.03  10.0  1.00   0.02 315.02) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.71 +/- 0.31   4.872% *  0.0244% (0.04  10.0  1.00   0.02 315.02) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  11.97 +/- 1.03   0.005% *  0.4695% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  10.98 +/- 1.54   0.010% *  0.0867% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   6.75 +/- 0.86   0.187% *  0.0035% (0.06   1.0  1.00   0.02   0.14) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  15.99 +/- 1.71   0.001% *  0.5571% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.93 +/- 1.41   0.138% *  0.0023% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  13.99 +/- 1.51   0.002% *  0.1408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.45 +/- 1.53   0.002% *  0.1379% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  12.63 +/- 1.37   0.004% *  0.0354% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.30 +/- 1.17   0.001% *  0.1401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.28 +/- 1.26   0.001% *  0.0557% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.25 +/- 1.89   0.001% *  0.1018% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  16.82 +/- 1.86   0.001% *  0.0746% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.05 +/- 1.15   0.015% *  0.0026% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  18.67 +/- 1.65   0.000% *  0.1032% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  18.94 +/- 2.33   0.000% *  0.1010% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.95 +/- 1.61   0.001% *  0.0347% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.54 +/- 2.12   0.000% *  0.1027% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  15.77 +/- 2.09   0.001% *  0.0256% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  13.72 +/- 1.14   0.002% *  0.0125% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.47 +/- 1.03   0.006% *  0.0032% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  21.82 +/- 2.36   0.000% *  0.1162% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  21.95 +/- 1.78   0.000% *  0.1391% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.39 +/- 1.35   0.000% *  0.0858% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.22 +/- 1.53   0.002% *  0.0085% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.92 +/- 1.16   0.000% *  0.1421% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.13 +/- 0.47   0.001% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.20 +/- 1.58   0.000% *  0.0861% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.93 +/- 1.07   0.001% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  19.61 +/- 2.37   0.000% *  0.0215% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.20 +/- 0.78   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.53 +/- 2.18   0.000% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.12 +/- 1.10   0.000% *  0.0219% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.73 +/- 1.65   0.001% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.04 +/- 2.24   0.000% *  0.0063% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  21.97 +/- 1.59   0.000% *  0.0158% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  21.15 +/- 1.05   0.000% *  0.0119% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.32 +/- 2.06   0.000% *  0.0138% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.02 +/- 2.08   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.11 +/- 2.34   0.000% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.49 +/- 1.80   0.000% *  0.0035% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.39 +/- 1.81   0.000% *  0.0085% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.26 +/- 1.88   0.000% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  19.84 +/- 2.10   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.07 +/- 1.92   0.000% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.98 +/- 1.79   0.000% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  25.15 +/- 2.44   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 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 = 165.7:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  99.943% * 97.0780% (1.00  10.0 10.00   4.00 165.66) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  11.21 +/- 1.17   0.006% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.90 +/- 0.85   0.042% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  17.47 +/- 2.10   0.000% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.17 +/- 1.42   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.78 +/- 1.91   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.49 +/- 1.98   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.29 +/- 1.77   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.75 +/- 1.79   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.48 +/- 1.10   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.25 +/- 1.38   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  17.01 +/- 0.67   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.00 +/- 1.32   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  20.00 +/- 1.80   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.97 +/- 5.75   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  23.18 +/- 1.36   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.68 +/- 2.24   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  24.03 +/- 5.73   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  26.65 +/- 1.96   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.71 +/- 2.05   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  25.25 +/- 4.01   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.10 +/- 3.01   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.39 +/- 2.99   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.59 +/- 2.39   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  28.74 +/- 3.89   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.57 +/- 2.13   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  28.41 +/- 1.43   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.04 +/- 2.34   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  29.72 +/- 1.38   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.91 +/- 2.33   0.000% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.911, support = 4.73, residual support = 163.4:
    *   T HA    LYS+  65 - QE    LYS+  65   4.44 +/- 0.16  74.123% * 88.0388% (0.92 10.00   4.75 165.66) =  98.540%  kept
        T HA    GLN   32 - QE    LYS+  33   6.75 +/- 0.97   9.814% *  9.7024% (0.10 10.00   3.25  11.03) =   1.438%  kept
          HA2   GLY   16 - QE    LYS+  65   6.58 +/- 1.54  15.581% *  0.0920% (0.97  1.00   0.02   0.02) =   0.022%
        T HA    LYS+ 121 - QE    LYS+  65  17.18 +/- 1.21   0.027% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  17.27 +/- 2.02   0.029% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.17 +/- 1.63   0.112% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  16.52 +/- 2.97   0.094% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  15.40 +/- 2.19   0.075% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  23.30 +/- 2.43   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.42 +/- 1.70   0.025% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.29 +/- 1.23   0.017% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.29 +/- 1.25   0.039% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.73 +/- 1.56   0.021% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  24.10 +/- 1.44   0.003% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.40 +/- 1.12   0.009% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  23.74 +/- 2.98   0.005% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  25.44 +/- 1.84   0.002% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.17 +/- 1.31   0.005% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.08 +/- 2.66   0.004% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.70 +/- 1.43   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  27.19 +/- 1.69   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.26 +/- 1.61   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  29.13 +/- 1.40   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  27.33 +/- 3.10   0.002% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.998, support = 5.14, residual support = 165.4:
    *   T QB    LYS+  65 - QE    LYS+  65   3.33 +/- 0.38  91.833% * 87.9175% (1.00 10.00   5.15 165.66) =  99.826%  kept
          QB    LYS+  66 - QE    LYS+  65   7.13 +/- 0.69   1.243% * 11.0665% (0.57  1.00   4.45  26.27) =   0.170%
          HB3   GLN   17 - QE    LYS+  65   7.66 +/- 2.35   5.354% *  0.0533% (0.61  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  33   8.01 +/- 1.46   1.373% *  0.0451% (0.51  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QE    LYS+  33  17.19 +/- 1.70   0.007% *  0.4520% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.73 +/- 0.92   0.108% *  0.0170% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.87 +/- 1.41   0.016% *  0.0877% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  14.14 +/- 1.79   0.023% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.18 +/- 1.07   0.013% *  0.0443% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  17.08 +/- 1.49   0.006% *  0.0734% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.85 +/- 1.76   0.008% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.71 +/- 1.11   0.005% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.79 +/- 0.63   0.002% *  0.0862% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.85 +/- 0.99   0.007% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.63 +/- 1.26   0.001% *  0.0219% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.94 +/- 1.47   0.001% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.7:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.79 +/- 0.23  97.655% * 98.8048% (1.00  10.0 10.00   4.44 165.66) =  99.999%  kept
          QD    LYS+  66 - QE    LYS+  65   6.78 +/- 1.17   1.245% *  0.0717% (0.73   1.0  1.00   0.02  26.27) =   0.001%
          QG2   THR   26 - QE    LYS+  33   6.96 +/- 1.38   0.983% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  12.10 +/- 1.71   0.019% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  18.66 +/- 2.36   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  10.89 +/- 2.04   0.044% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.70 +/- 1.74   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.66 +/- 1.43   0.003% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  14.39 +/- 1.32   0.007% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.26 +/- 1.52   0.020% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.86 +/- 0.94   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.38 +/- 2.07   0.002% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.09 +/- 1.20   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.92 +/- 1.36   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.57 +/- 1.73   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.18 +/- 0.89   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.85 +/- 2.44   0.000% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  17.00 +/- 1.43   0.002% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.95 +/- 2.29   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.23 +/- 2.26   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 165.7:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  99.939% * 96.2302% (1.00  10.0 10.00   4.00 165.66) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.21 +/- 1.17   0.006% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.00 +/- 1.04   0.044% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.44 +/- 1.83   0.006% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  17.47 +/- 2.10   0.000% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.29 +/- 1.77   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.17 +/- 1.42   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  13.70 +/- 1.80   0.002% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.27 +/- 1.09   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.48 +/- 1.10   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.49 +/- 1.98   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.75 +/- 1.79   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.90 +/- 1.52   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.87 +/- 1.53   0.000% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  21.59 +/- 3.08   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  23.12 +/- 1.86   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  22.19 +/- 2.14   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.96 +/- 1.29   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.68 +/- 2.24   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.51 +/- 3.24   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.71 +/- 2.05   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.94 +/- 1.53   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 115.5:
    * O T QB    LYS+  66 - HA    LYS+  66   2.42 +/- 0.08  95.810% * 86.1397% (1.00  10.0 10.00   4.99 116.05) =  99.359%  kept
          QB    LYS+  65 - HA    LYS+  66   4.18 +/- 0.27   4.097% * 12.9886% (0.57   1.0  1.00   5.33  26.27) =   0.641%  kept
          HG    LEU  123 - HA    LYS+  66   8.62 +/- 1.55   0.088% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.65 +/- 0.73   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  21.92 +/- 1.34   0.000% *  0.4877% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.45 +/- 0.56   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  18.41 +/- 0.82   0.001% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.18 +/- 1.35   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.31 +/- 1.10   0.000% *  0.0773% (0.90   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 116.0:
    * O T QG    LYS+  66 - HA    LYS+  66   2.49 +/- 0.31  98.261% * 98.9829% (1.00  10.0 10.00   4.31 116.05) =  99.996%  kept
        T HG    LEU   67 - HA    LYS+  66   5.83 +/- 0.76   0.956% *  0.3715% (0.38   1.0 10.00   0.02  11.16) =   0.004%
          HB3   LEU   67 - HA    LYS+  66   6.18 +/- 0.35   0.660% *  0.0936% (0.95   1.0  1.00   0.02  11.16) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.22 +/- 0.25   0.095% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  13.21 +/- 1.51   0.013% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.11 +/- 0.87   0.009% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.97 +/- 0.68   0.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.00 +/- 1.86   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.29 +/- 1.46   0.001% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  21.49 +/- 1.52   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  27.73 +/- 2.59   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  26.72 +/- 1.94   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 115.4:
    *   T QD    LYS+  66 - HA    LYS+  66   2.61 +/- 0.61  95.724% * 85.1974% (1.00 10.00   4.31 116.05) =  99.287%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.07 +/- 1.07   4.238% * 13.8232% (0.73  1.00   4.47  26.27) =   0.713%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  13.73 +/- 2.19   0.011% *  0.6822% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.67 +/- 1.75   0.010% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.07 +/- 0.88   0.005% *  0.0448% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  15.95 +/- 0.96   0.003% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.66 +/- 0.93   0.005% *  0.0320% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  17.86 +/- 0.87   0.002% *  0.0551% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.99 +/- 1.95   0.001% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 116.1:
    *   T QE    LYS+  66 - HA    LYS+  66   3.87 +/- 0.66  99.695% * 99.6609% (1.00 10.00   4.11 116.05) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.87 +/- 0.33   0.299% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.14 +/- 1.35   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.39 +/- 0.96   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 116.1:
    * O T HA    LYS+  66 - QB    LYS+  66   2.42 +/- 0.08  99.669% * 99.9488% (1.00  10.0 10.00   4.99 116.05) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   7.08 +/- 1.11   0.331% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.24 +/- 1.22   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  26.26 +/- 0.82   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 4.31, residual support = 114.7:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.02  96.097% * 71.9610% (1.00  10.0 10.00   4.31 116.05) =  98.707%  kept
        T HG    LEU   67 - QB    LYS+  66   4.98 +/- 1.54   3.352% * 27.0078% (0.38   1.0 10.00   4.10  11.16) =   1.292%  kept
          HB3   LEU   67 - QB    LYS+  66   5.35 +/- 0.63   0.470% *  0.0681% (0.95   1.0  1.00   0.02  11.16) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.10 +/- 0.29   0.059% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.74 +/- 1.29   0.011% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  17.87 +/- 1.92   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.51 +/- 1.97   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.23 +/- 1.10   0.003% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.64 +/- 0.86   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.06 +/- 1.41   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  24.16 +/- 2.63   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  23.21 +/- 1.95   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 = 116.0:
    * O T QD    LYS+  66 - QB    LYS+  66   2.34 +/- 0.23  99.296% * 98.1588% (1.00  10.0 10.00   4.31 116.05) =  99.995%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.11 +/- 0.87   0.628% *  0.7128% (0.73   1.0 10.00   0.02  26.27) =   0.005%
        T HD2   LYS+ 121 - QB    LYS+  66  10.28 +/- 2.15   0.033% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66  10.29 +/- 1.93   0.028% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  12.72 +/- 1.37   0.005% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.03 +/- 0.77   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.73 +/- 0.49   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.92 +/- 2.01   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.95 +/- 0.53   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 116.1:
    *   T QE    LYS+  66 - QB    LYS+  66   2.92 +/- 0.73  99.885% * 99.6609% (1.00 10.00   4.08 116.05) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66  10.24 +/- 0.44   0.111% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.19 +/- 0.92   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.56 +/- 0.91   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 116.1:
    * O T HA    LYS+  66 - QG    LYS+  66   2.49 +/- 0.31  91.046% * 99.8680% (1.00  10.0 10.00   4.31 116.05) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.83 +/- 0.76   0.842% *  0.0769% (0.08   1.0 10.00   0.02  11.16) =   0.001%
          HA1   GLY   16 - HG    LEU   67   6.73 +/- 2.55   7.575% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   7.55 +/- 1.21   0.535% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.88 +/- 1.41   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.27 +/- 1.82   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  26.87 +/- 1.01   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  28.37 +/- 1.72   0.000% *  0.0012% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 4.32, residual support = 115.2:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.02  90.268% * 85.2687% (1.00  10.0 10.00   4.31 116.05) =  99.033%  kept
          QB    LYS+  65 - QG    LYS+  66   3.67 +/- 0.82   5.828% * 12.8511% (0.57   1.0  1.00   5.32  26.27) =   0.964%  kept
        T QB    LYS+  66 - HG    LEU   67   4.98 +/- 1.54   3.295% *  0.0656% (0.08   1.0 10.00   0.02  11.16) =   0.003%
          HG    LEU  123 - QG    LYS+  66   6.01 +/- 1.47   0.515% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.40 +/- 0.86   0.001% *  0.8066% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  16.59 +/- 1.15   0.000% *  0.5857% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.45 +/- 0.94   0.057% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.88 +/- 1.08   0.003% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.16 +/- 2.18   0.015% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.59 +/- 0.63   0.001% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  14.52 +/- 2.09   0.001% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.34 +/- 0.98   0.014% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.84 +/- 1.29   0.000% *  0.0765% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.91 +/- 1.80   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.13 +/- 1.51   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.93 +/- 2.33   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.63 +/- 1.24   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.87 +/- 1.57   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 = 0.997, support = 4.0, residual support = 115.2:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.04  93.425% * 85.1273% (1.00  10.0 10.00   4.00 116.05) =  99.060%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.67 +/- 1.59   5.493% * 13.7263% (0.73   1.0  1.00   4.44  26.27) =   0.939%  kept
        T QD    LYS+  66 - HG    LEU   67   6.61 +/- 1.37   0.996% *  0.0655% (0.08   1.0 10.00   0.02  11.16) =   0.001%
        T HD2   LYS+ 121 - QG    LYS+  66  10.80 +/- 2.21   0.016% *  0.6816% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  11.02 +/- 1.98   0.009% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  12.56 +/- 3.50   0.010% *  0.0525% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.80 +/- 1.24   0.028% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.20 +/- 1.41   0.001% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  13.59 +/- 0.99   0.001% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  13.73 +/- 1.84   0.002% *  0.0246% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  12.01 +/- 2.72   0.007% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  11.97 +/- 2.77   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.04 +/- 1.83   0.001% *  0.0482% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.53 +/- 0.78   0.001% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.97 +/- 0.50   0.000% *  0.0551% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.00 +/- 1.87   0.002% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.87 +/- 1.54   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.59 +/- 2.90   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 116.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.21 +/- 0.12  99.761% * 99.5585% (1.00  10.0 10.00   3.75 116.05) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.50 +/- 1.26   0.172% *  0.0766% (0.08   1.0 10.00   0.02  11.16) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  11.64 +/- 0.75   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.00 +/- 0.95   0.060% *  0.0024% (0.02   1.0  1.00   0.02   3.14) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.77 +/- 1.15   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.22 +/- 0.99   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.48 +/- 1.84   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.62 +/- 1.35   0.000% *  0.0066% (0.07   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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 116.1:
    *   T HA    LYS+  66 - QD    LYS+  66   2.61 +/- 0.61  99.103% * 99.8184% (1.00 10.00   4.31 116.05) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   7.81 +/- 1.37   0.882% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  13.73 +/- 2.19   0.012% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.00 +/- 1.48   0.001% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.10 +/- 2.01   0.002% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  27.67 +/- 1.39   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.66 +/- 2.05   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  30.42 +/- 2.53   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 = 0.977, support = 4.36, residual support = 111.3:
    * O T QB    LYS+  66 - QD    LYS+  66   2.34 +/- 0.23  90.135% * 63.5425% (1.00  10.0 10.00   4.31 116.05) =  94.713%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.31 +/- 0.98   8.886% * 35.9749% (0.57   1.0 10.00   5.32  26.27) =   5.286%  kept
          HG    LEU  123 - QD    LYS+  66   6.32 +/- 1.58   0.828% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  10.28 +/- 2.15   0.032% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   7.80 +/- 0.81   0.098% *  0.0045% (0.07   1.0  1.00   0.02   2.47) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.91 +/- 1.35   0.003% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.98 +/- 0.83   0.002% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.90 +/- 0.95   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.68 +/- 1.92   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  16.90 +/- 1.22   0.001% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.51 +/- 1.18   0.005% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.32 +/- 1.22   0.004% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.48 +/- 1.61   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.93 +/- 1.87   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.43 +/- 1.91   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.62 +/- 1.53   0.001% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.32 +/- 2.02   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.18 +/- 1.63   0.000% *  0.0045% (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 = 116.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.04  98.759% * 98.6304% (1.00  10.0 10.00   4.00 116.05) =  99.996%  kept
        T HG    LEU   67 - QD    LYS+  66   6.61 +/- 1.37   0.996% *  0.3702% (0.38   1.0 10.00   0.02  11.16) =   0.004%
          HB3   LEU   67 - QD    LYS+  66   7.18 +/- 0.79   0.090% *  0.0933% (0.95   1.0  1.00   0.02  11.16) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.44 +/- 1.02   0.082% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.80 +/- 2.21   0.016% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.11 +/- 2.00   0.012% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121   9.83 +/- 1.01   0.011% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  12.56 +/- 3.50   0.010% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.46 +/- 2.49   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  11.77 +/- 1.26   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.80 +/- 1.35   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.76 +/- 1.89   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  12.72 +/- 2.39   0.005% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.60 +/- 0.96   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.12 +/- 1.63   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  19.75 +/- 2.11   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.93 +/- 0.81   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.03 +/- 2.28   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.64 +/- 2.28   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  25.77 +/- 2.61   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.41 +/- 2.35   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.77 +/- 2.07   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  28.90 +/- 5.17   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  27.83 +/- 4.31   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 = 3.62, residual support = 116.1:
    * O T QE    LYS+  66 - QD    LYS+  66   2.08 +/- 0.02  99.978% * 99.4957% (1.00  10.0 10.00   3.62 116.05) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  11.03 +/- 2.58   0.015% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  11.54 +/- 1.17   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.54 +/- 1.20   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.48 +/- 1.13   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.46 +/- 2.30   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.88 +/- 1.52   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.89 +/- 2.17   0.000% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 116.1:
    *   T HA    LYS+  66 - QE    LYS+  66   3.87 +/- 0.66  97.094% * 99.7309% (1.00 10.00   4.11 116.05) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66   9.03 +/- 1.26   1.580% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.53 +/- 0.82   1.310% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.14 +/- 1.35   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  22.77 +/- 1.78   0.004% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.34 +/- 1.33   0.007% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  28.30 +/- 1.37   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  28.09 +/- 1.33   0.001% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.49 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 = 0.99, support = 4.1, residual support = 114.1:
    *   T QB    LYS+  66 - QE    LYS+  66   2.92 +/- 0.73  77.859% * 87.5728% (1.00 10.00   4.08 116.05) =  97.810%  kept
          QB    LYS+  65 - QE    LYS+  66   5.26 +/- 1.06  13.004% * 11.7035% (0.57  1.00   4.72  26.27) =   2.183%  kept
          HG    LEU  123 - QE    LYS+  66   5.66 +/- 1.99   9.093% *  0.0496% (0.57  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  66  14.87 +/- 0.79   0.006% *  0.0461% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.58 +/- 1.10   0.003% *  0.0828% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.82 +/- 2.03   0.003% *  0.0785% (0.90  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.19 +/- 0.92   0.001% *  0.1821% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.09 +/- 1.35   0.003% *  0.0602% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.46 +/- 0.95   0.010% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.79 +/- 2.02   0.002% *  0.0731% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.03 +/- 1.94   0.002% *  0.0496% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.52 +/- 1.68   0.007% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  18.58 +/- 0.83   0.002% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.10 +/- 1.16   0.002% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  18.49 +/- 0.80   0.002% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  22.30 +/- 1.44   0.001% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  24.53 +/- 0.90   0.000% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.08 +/- 1.48   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 3.75, residual support = 116.1:
    * O T QG    LYS+  66 - QE    LYS+  66   2.21 +/- 0.12  99.229% * 98.5716% (1.00  10.0 10.00   3.75 116.05) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.50 +/- 1.26   0.171% *  0.3700% (0.38   1.0 10.00   0.02  11.16) =   0.001%
          QB    ALA   61 - QE    LYS+  66   7.97 +/- 1.18   0.089% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.09 +/- 0.85   0.058% *  0.0932% (0.95   1.0  1.00   0.02  11.16) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.13 +/- 0.73   0.360% *  0.0036% (0.04   1.0  1.00   0.02   2.63) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   8.08 +/- 1.02   0.069% *  0.0133% (0.13   1.0  1.00   0.02   2.63) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.35 +/- 2.61   0.008% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.33 +/- 1.40   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.74 +/- 1.92   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.85 +/- 1.39   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.47 +/- 0.69   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.15 +/- 1.01   0.003% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  13.30 +/- 0.63   0.002% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.77 +/- 1.15   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  20.00 +/- 2.21   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  14.78 +/- 2.10   0.002% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.48 +/- 1.84   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  15.75 +/- 1.29   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  21.15 +/- 1.92   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  26.49 +/- 2.69   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.26 +/- 1.43   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  22.03 +/- 1.41   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  25.47 +/- 2.13   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  27.93 +/- 1.26   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 116.1:
    * O T QD    LYS+  66 - QE    LYS+  66   2.08 +/- 0.02  99.625% * 98.3437% (1.00  10.0 10.00   3.62 116.05) = 100.000%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.34 +/- 1.63   0.229% *  0.0714% (0.73   1.0  1.00   0.02  26.27) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  11.03 +/- 2.58   0.015% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  11.20 +/- 2.38   0.009% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.22 +/- 1.27   0.067% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.32 +/- 1.24   0.046% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  10.88 +/- 0.72   0.005% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  14.78 +/- 1.69   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.15 +/- 1.29   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.63 +/- 2.49   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.16 +/- 0.93   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.54 +/- 1.20   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.24 +/- 0.69   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.88 +/- 1.52   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  18.97 +/- 1.62   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.24 +/- 1.99   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  25.05 +/- 1.22   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  26.20 +/- 1.27   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.5:
    * O T HB2   PRO   68 - HA    PRO   68   2.73 +/- 0.00  99.994% * 98.6006% (0.84  10.0 10.00   2.00  36.49) = 100.000%  kept
        T HB    VAL   24 - HA    PRO   68  21.76 +/- 2.31   0.001% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    PRO   68  14.80 +/- 0.87   0.004% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.70 +/- 1.34   0.002% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.5:
    * O T HA    PRO   68 - HB2   PRO   68   2.73 +/- 0.00  99.999% * 99.1920% (0.84  10.0 10.00   2.00  36.49) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  21.76 +/- 2.31   0.001% *  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 = 60.1:
    * O T HB2   ASN   69 - HA    ASN   69   2.58 +/- 0.12  99.928% * 99.7955% (1.00  10.0 10.00   3.31  60.05) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  11.09 +/- 2.19   0.058% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  11.79 +/- 1.13   0.014% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.58 +/- 1.12   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.23 +/- 0.86   0.000% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 60.1:
    * O T HB3   ASN   69 - HA    ASN   69   2.55 +/- 0.25  99.947% * 99.7714% (1.00  10.0 10.00   3.00  60.05) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.45 +/- 0.91   0.049% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.63 +/- 1.08   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.19 +/- 1.13   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.1:
    * O T HA    ASN   69 - HB2   ASN   69   2.58 +/- 0.12  99.997% * 99.8126% (1.00  10.0 10.00   3.31  60.05) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.53 +/- 0.63   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  21.31 +/- 0.58   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 = 60.1:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  60.05) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.22 +/- 0.82   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.20 +/- 0.96   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.72 +/- 0.87   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 60.1:
    * O T HA    ASN   69 - HB3   ASN   69   2.55 +/- 0.25  99.998% * 99.8126% (1.00  10.0 10.00   3.00  60.05) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  16.02 +/- 0.55   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  21.75 +/- 0.61   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 = 60.1:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.995% * 99.7955% (1.00  10.0 10.00   3.97  60.05) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   69  12.26 +/- 2.40   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   ASN   69  11.83 +/- 1.47   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.67 +/- 0.96   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.27 +/- 0.77   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 = 81.4:
    * O T HB    VAL   70 - HA    VAL   70   2.88 +/- 0.25  96.755% * 97.2460% (1.00  10.0 10.00   4.31  81.43) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.26 +/- 1.07   0.060% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70   9.73 +/- 1.66   2.314% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70   9.25 +/- 1.06   0.127% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   8.16 +/- 1.68   0.634% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  13.71 +/- 3.88   0.031% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.54 +/- 0.65   0.017% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  17.39 +/- 2.04   0.003% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.28 +/- 1.26   0.043% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  20.42 +/- 5.22   0.009% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.08 +/- 2.20   0.001% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  22.76 +/- 1.55   0.001% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  19.63 +/- 0.66   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  27.93 +/- 3.39   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.44 +/- 0.52   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.52 +/- 1.53   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.62 +/- 0.63   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  31.55 +/- 4.83   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  32.61 +/- 4.53   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.61 +/- 1.04   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.11 +/- 1.10   0.000% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.9, residual support = 80.4:
    * O T QG1   VAL   70 - HA    VAL   70   2.56 +/- 0.38  90.726% * 80.6030% (1.00  10.0 10.00   4.91  81.43) =  97.929%  kept
          QD1   LEU   71 - HA    VAL   70   5.01 +/- 0.94   9.108% * 16.9750% (0.92   1.0  1.00   4.56  32.76) =   2.070%  kept
        T QG1   VAL   18 - HA    VAL   70   9.21 +/- 0.72   0.060% *  0.7901% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   70   9.14 +/- 0.86   0.056% *  0.0456% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  11.59 +/- 1.06   0.013% *  0.1800% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.85 +/- 1.44   0.021% *  0.0744% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.33 +/- 1.87   0.002% *  0.3829% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  12.08 +/- 1.02   0.010% *  0.0489% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  19.85 +/- 1.27   0.001% *  0.1836% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  24.11 +/- 3.01   0.000% *  0.3906% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  20.71 +/- 1.69   0.000% *  0.1695% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.84 +/- 3.03   0.001% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.53 +/- 1.22   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  18.34 +/- 1.45   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  27.58 +/- 3.07   0.000% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  25.79 +/- 3.20   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  30.73 +/- 4.90   0.000% *  0.0237% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.83 +/- 0.97   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 0.03 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.4:
    * O T QG2   VAL   70 - HA    VAL   70   2.38 +/- 0.11  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.43) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  22.04 +/- 3.02   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.34 +/- 1.02   0.001% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.4:
    * O T HA    VAL   70 - HB    VAL   70   2.88 +/- 0.25  88.145% * 98.3567% (1.00  10.0 10.00   4.31  81.43) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.14 +/- 0.72   4.728% *  0.0125% (0.13   1.0  1.00   0.02  50.07) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.67 +/- 0.58   6.116% *  0.0036% (0.04   1.0  1.00   0.02  16.52) =   0.000%
          HA    VAL   18 - HB    VAL   70   7.81 +/- 0.70   0.303% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.38 +/- 1.16   0.539% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.26 +/- 1.07   0.054% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.06 +/- 1.12   0.078% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.24 +/- 0.88   0.007% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.32 +/- 1.08   0.005% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  17.39 +/- 2.04   0.003% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.83 +/- 0.62   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  22.76 +/- 1.55   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  27.93 +/- 3.39   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.77 +/- 1.33   0.010% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.79 +/- 1.53   0.004% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.08 +/- 2.20   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.22 +/- 1.07   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  17.49 +/- 1.30   0.002% *  0.0133% (0.13   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 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 81.4:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.139% * 99.3444% (1.00  10.0 10.00   5.31  81.43) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   70   6.73 +/- 0.73   0.145% *  0.0917% (0.92   1.0  1.00   0.02  32.76) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.69 +/- 1.05   0.170% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.68 +/- 1.32   0.044% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.78 +/- 0.67   0.382% *  0.0181% (0.18   1.0  1.00   0.02  50.07) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.48 +/- 0.85   0.030% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   8.91 +/- 1.41   0.030% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.55 +/- 1.62   0.045% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.71 +/- 0.86   0.004% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.70 +/- 0.89   0.007% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.99 +/- 1.11   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.30 +/- 0.81   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 = 81.4:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.976% * 99.8146% (0.80  10.0 10.00   4.31  81.43) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.70 +/- 0.74   0.024% *  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 = 4.91, residual support = 81.4:
    * O T HA    VAL   70 - QG1   VAL   70   2.56 +/- 0.38  95.776% * 98.1637% (1.00  10.0 10.00   4.91  81.43) =  99.990%  kept
        T HA    VAL   18 - QG1   VAL   70   7.55 +/- 1.39   1.368% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - QG1   VAL   70   6.78 +/- 1.27   2.722% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   8.26 +/- 1.07   0.111% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.98 +/- 0.79   0.011% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.70 +/- 0.89   0.009% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.27 +/- 0.56   0.003% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  19.85 +/- 1.27   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  24.11 +/- 3.01   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 5.31, residual support = 81.4:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.513% * 98.7774% (1.00  10.0 10.00   5.31  81.43) =  99.999%  kept
        T QG    GLN   17 - QG1   VAL   70   8.68 +/- 1.32   0.044% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.62 +/- 1.98   0.399% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   8.80 +/- 1.38   0.036% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.56 +/- 0.61   0.007% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.94 +/- 0.70   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.61 +/- 1.08   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.91, residual support = 81.4:
    * O T QG2   VAL   70 - QG1   VAL   70   2.07 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.91  81.43) = 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 = 81.4:
    * O T HA    VAL   70 - QG2   VAL   70   2.38 +/- 0.11  99.448% * 98.7631% (0.80  10.0 10.00   4.00  81.43) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   6.49 +/- 0.47   0.277% *  0.0678% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.04 +/- 0.97   0.138% *  0.0481% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.67 +/- 0.80   0.116% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.07 +/- 0.61   0.011% *  0.0857% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.53 +/- 0.86   0.006% *  0.0988% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.57 +/- 0.50   0.003% *  0.0717% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  22.04 +/- 3.02   0.000% *  0.5990% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.34 +/- 1.02   0.001% *  0.2463% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.4:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.714% * 98.7774% (0.80  10.0 10.00   4.31  81.43) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.70 +/- 0.74   0.024% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.61 +/- 1.44   0.201% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.51 +/- 0.54   0.026% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.44 +/- 0.92   0.033% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  15.94 +/- 0.64   0.001% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.83 +/- 0.53   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 = 4.91, residual support = 81.4:
    * O T QG1   VAL   70 - QG2   VAL   70   2.07 +/- 0.05  98.715% * 99.6017% (0.80  10.0 10.00   4.91  81.43) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   5.06 +/- 0.46   0.589% *  0.0919% (0.74   1.0  1.00   0.02  32.76) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.33 +/- 0.77   0.506% *  0.0564% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   6.68 +/- 0.75   0.108% *  0.0976% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   7.75 +/- 1.26   0.058% *  0.0919% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.55 +/- 0.66   0.023% *  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 = 138.7:
    * O T HB2   LEU   71 - HA    LEU   71   2.92 +/- 0.11  99.418% * 99.5520% (1.00  10.0 10.00   5.31 138.70) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   9.08 +/- 1.20   0.166% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   7.82 +/- 0.52   0.300% *  0.0340% (0.34   1.0  1.00   0.02   3.04) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.89 +/- 0.93   0.045% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.43 +/- 0.76   0.056% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.25 +/- 0.81   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.72 +/- 0.84   0.007% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  20.22 +/- 0.90   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.7:
    * O T HB3   LEU   71 - HA    LEU   71   2.63 +/- 0.19  99.994% * 99.6783% (1.00  10.0 10.00   4.31 138.70) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.76 +/- 0.36   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.70 +/- 2.03   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.40 +/- 1.00   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.78 +/- 2.00   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  23.86 +/- 2.87   0.000% *  0.0374% (0.38   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 = 0.998, support = 4.04, residual support = 135.7:
    *   T QD1   LEU   71 - HA    LEU   71   3.48 +/- 0.49  84.478% * 82.3066% (1.00 10.00   4.02 138.70) =  97.167%  kept
          QG1   VAL   70 - HA    LEU   71   5.20 +/- 0.72  11.607% * 17.4455% (0.92  1.00   4.59  32.76) =   2.830%  kept
          QG1   VAL   18 - HA    LEU   71   6.24 +/- 0.67   3.502% *  0.0687% (0.84  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    LEU   71   9.42 +/- 1.11   0.341% *  0.0281% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  12.82 +/- 1.36   0.054% *  0.0823% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.87 +/- 0.79   0.018% *  0.0687% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.7:
    *   T QD2   LEU   71 - HA    LEU   71   2.03 +/- 0.33  98.500% * 99.6055% (1.00 10.00   5.00 138.70) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   6.15 +/- 1.75   1.378% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    LEU   71   7.36 +/- 0.70   0.109% *  0.0409% (0.41  1.00   0.02   1.64) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.30 +/- 0.86   0.006% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  13.47 +/- 1.23   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.33 +/- 0.87   0.002% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.68 +/- 0.45   0.002% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.7:
    * O T HA    LEU   71 - HB2   LEU   71   2.92 +/- 0.11  99.709% * 99.9402% (1.00  10.0 10.00   5.31 138.70) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.32 +/- 0.94   0.234% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  10.32 +/- 0.72   0.057% *  0.0375% (0.38   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 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.7:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.70) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.35 +/- 0.78   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.75 +/- 1.72   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.43 +/- 0.95   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  23.58 +/- 3.09   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.01 +/- 2.23   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 = 138.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.32 +/- 0.15  99.490% * 99.6081% (1.00  10.0 10.00   4.97 138.70) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   71   5.98 +/- 0.50   0.394% *  0.0919% (0.92   1.0  1.00   0.02  32.76) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   7.66 +/- 0.66   0.098% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.78 +/- 0.97   0.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.71 +/- 1.36   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.96 +/- 1.15   0.003% *  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 = 138.7:
    * O T QD2   LEU   71 - HB2   LEU   71   3.20 +/- 0.02  96.694% * 99.6055% (1.00  10.0 10.00   5.44 138.70) =  99.999%  kept
          QD2   LEU   40 - HB2   LEU   71   6.42 +/- 0.85   2.094% *  0.0409% (0.41   1.0  1.00   0.02   1.64) =   0.001%
          QD1   LEU   67 - HB2   LEU   71   7.38 +/- 1.10   1.095% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  11.84 +/- 1.17   0.049% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.74 +/- 0.71   0.026% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.50 +/- 0.82   0.030% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  14.44 +/- 1.13   0.013% *  0.0864% (0.87   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 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.7:
    * O T HA    LEU   71 - HB3   LEU   71   2.63 +/- 0.19  99.839% * 99.9402% (1.00  10.0 10.00   4.31 138.70) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.49 +/- 0.89   0.117% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71   9.79 +/- 1.12   0.044% *  0.0375% (0.38   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.7:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.930% * 99.3538% (1.00  10.0 10.00   4.97 138.70) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.35 +/- 0.87   0.062% *  0.0339% (0.34   1.0  1.00   0.02   3.04) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  11.13 +/- 1.80   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.57 +/- 1.21   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.90 +/- 0.98   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.15 +/- 1.47   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.16 +/- 0.66   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.91 +/- 0.92   0.000% *  0.0796% (0.80   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 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.59 +/- 0.43  98.467% * 99.6081% (1.00  10.0 10.00   3.71 138.70) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU   71   6.19 +/- 0.57   1.063% *  0.0919% (0.92   1.0  1.00   0.02  32.76) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   7.35 +/- 1.12   0.432% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.01 +/- 1.04   0.027% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.01 +/- 1.51   0.007% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  14.67 +/- 1.27   0.005% *  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 = 138.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.49 +/- 0.11  99.393% * 99.6055% (1.00  10.0 10.00   4.44 138.70) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   7.04 +/- 0.96   0.306% *  0.0409% (0.41   1.0  1.00   0.02   1.64) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.62 +/- 1.34   0.276% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.38 +/- 1.20   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.40 +/- 1.30   0.008% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.07 +/- 0.86   0.005% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.67 +/- 1.24   0.003% *  0.0864% (0.87   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 138.7:
    *   T HA    LEU   71 - QD1   LEU   71   3.48 +/- 0.49  98.830% * 99.9402% (1.00 10.00   4.02 138.70) = 100.000%  kept
          HA    ALA   20 - QD1   LEU   71   8.81 +/- 1.10   0.507% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   43 - QD1   LEU   71   8.46 +/- 0.94   0.663% *  0.0223% (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 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.7:
    * O T HB2   LEU   71 - QD1   LEU   71   2.32 +/- 0.15  99.292% * 99.5520% (1.00  10.0 10.00   4.97 138.70) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.12 +/- 0.98   0.651% *  0.0340% (0.34   1.0  1.00   0.02   3.04) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.84 +/- 1.48   0.027% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.42 +/- 0.93   0.009% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.83 +/- 1.02   0.006% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.24 +/- 0.83   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.22 +/- 1.08   0.006% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.99 +/- 0.82   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.7:
    * O T HB3   LEU   71 - QD1   LEU   71   2.59 +/- 0.43  99.985% * 99.6783% (1.00  10.0 10.00   3.71 138.70) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.51 +/- 0.77   0.013% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  22.48 +/- 1.41   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  22.21 +/- 0.80   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  20.64 +/- 2.68   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.91 +/- 1.84   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.06  99.795% * 99.6055% (1.00  10.0 10.00   4.15 138.70) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   7.33 +/- 1.20   0.093% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   6.76 +/- 0.74   0.099% *  0.0409% (0.41   1.0  1.00   0.02   1.64) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.07 +/- 1.01   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.49 +/- 0.99   0.004% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.82 +/- 0.75   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.53 +/- 0.97   0.001% *  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 = 138.7:
    *   T HA    LEU   71 - QD2   LEU   71   2.03 +/- 0.33  99.784% * 99.9402% (1.00 10.00   5.00 138.70) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   7.93 +/- 0.74   0.133% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.41 +/- 0.76   0.083% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.20 +/- 0.02  97.852% * 99.3538% (1.00  10.0 10.00   5.44 138.70) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   7.92 +/- 1.14   0.695% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU   71   7.31 +/- 0.94   1.182% *  0.0339% (0.34   1.0  1.00   0.02   3.04) =   0.000%
          QB    LYS+  65 - QD2   LEU   71  10.32 +/- 0.89   0.104% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.04 +/- 0.73   0.116% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.32 +/- 0.82   0.020% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.54 +/- 0.67   0.028% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.48 +/- 1.01   0.003% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.7:
    * O T HB3   LEU   71 - QD2   LEU   71   2.49 +/- 0.11  99.993% * 99.2790% (1.00  10.0 10.00   4.44 138.70) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.67 +/- 0.57   0.006% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.59 +/- 1.70   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.59 +/- 1.77   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.35 +/- 0.86   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  20.73 +/- 2.95   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.06  99.356% * 99.6081% (1.00  10.0 10.00   4.15 138.70) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU   71   5.36 +/- 0.49   0.374% *  0.0919% (0.92   1.0  1.00   0.02  32.76) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   5.96 +/- 0.72   0.256% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.71 +/- 0.97   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.08 +/- 1.38   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.79 +/- 0.78   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 = 4.06, residual support = 90.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.98 +/- 0.17  98.491% * 99.8683% (0.64  10.0 10.00   4.06  90.77) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   6.17 +/- 0.37   1.480% *  0.0868% (0.55   1.0  1.00   0.02  38.77) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.70 +/- 0.34   0.029% *  0.0449% (0.29   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 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.62, residual support = 90.8:
    * O T HB3   PHE   72 - HA    PHE   72   2.71 +/- 0.18  99.161% * 99.4196% (0.66  10.0 10.00   4.62  90.77) =  99.999%  kept
          HB2   ASP-  44 - HA    PHE   72   6.44 +/- 0.68   0.767% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    PHE   72  10.34 +/- 1.27   0.041% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  12.82 +/- 1.38   0.012% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.78 +/- 0.90   0.010% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.39 +/- 0.67   0.007% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  20.24 +/- 1.73   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.98 +/- 1.31   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.06, residual support = 90.8:
    * O T HA    PHE   72 - HB2   PHE   72   2.98 +/- 0.17 100.000% *100.0000% (0.64  10.0 10.00   4.06  90.77) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.27, residual support = 90.8:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.888% * 99.4196% (0.72  10.0 10.00   4.27  90.77) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.50 +/- 1.23   0.099% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.88 +/- 1.31   0.009% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  11.02 +/- 1.34   0.002% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.93 +/- 1.10   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.89 +/- 1.45   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.66 +/- 0.80   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  20.38 +/- 1.42   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 = 4.62, residual support = 90.8:
    * O T HA    PHE   72 - HB3   PHE   72   2.71 +/- 0.18 100.000% *100.0000% (0.66  10.0 10.00   4.62  90.77) = 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 = 4.27, residual support = 90.8:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.754% * 99.8683% (0.72  10.0 10.00   4.27  90.77) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.84 +/- 0.31   0.246% *  0.0868% (0.63   1.0  1.00   0.02  38.77) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  12.33 +/- 0.58   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 = 173.8:
    * O T HB2   LEU   73 - HA    LEU   73   2.59 +/- 0.29  99.976% * 99.4108% (1.00  10.0 10.00   5.00 173.81) = 100.000%  kept
          QD    LYS+ 106 - HA    LEU   73  15.30 +/- 1.17   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  14.95 +/- 0.90   0.004% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.28 +/- 0.79   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.55 +/- 0.87   0.002% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.13 +/- 0.99   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.47 +/- 0.73   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.85 +/- 0.69   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.86 +/- 1.99   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.13 +/- 1.97   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 173.8:
    * O T HB3   LEU   73 - HA    LEU   73   2.69 +/- 0.34  93.890% * 99.1728% (1.00  10.0 10.00   5.12 173.81) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.58 +/- 0.44   5.622% *  0.0174% (0.18   1.0  1.00   0.02  43.47) =   0.001%
          HB    VAL   42 - HA    LEU   73   7.26 +/- 0.81   0.389% *  0.0983% (0.99   1.0  1.00   0.02   1.20) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  11.62 +/- 1.05   0.020% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  10.73 +/- 0.71   0.032% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  13.95 +/- 1.49   0.007% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.21 +/- 1.09   0.021% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.08 +/- 1.00   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.13 +/- 1.01   0.006% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  16.05 +/- 1.59   0.003% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  15.23 +/- 1.50   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.49 +/- 1.03   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.09 +/- 0.93   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.98 +/- 1.31   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.70 +/- 2.06   0.001% *  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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.8:
    *   T QD1   LEU   73 - HA    LEU   73   3.82 +/- 0.12  98.700% * 98.2281% (1.00 10.00   5.00 173.81) =  99.994%  kept
        T QD1   LEU   63 - HA    LEU   73   9.46 +/- 0.74   0.469% *  0.9823% (1.00 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    LEU   73  11.56 +/- 3.26   0.420% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  13.98 +/- 0.68   0.043% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.52 +/- 0.66   0.242% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.38 +/- 1.01   0.038% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  12.96 +/- 1.68   0.088% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 173.8:
    *   T QD2   LEU   73 - HA    LEU   73   2.29 +/- 0.44  99.390% * 99.4036% (1.00 10.00   6.22 173.81) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   5.82 +/- 0.54   0.496% *  0.0276% (0.28  1.00   0.02   8.34) =   0.000%
          HG    LEU   31 - HA    LEU   73  10.05 +/- 0.96   0.038% *  0.0959% (0.97  1.00   0.02   1.33) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.57 +/- 0.44   0.072% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.67 +/- 1.29   0.004% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.70 +/- 1.34   0.000% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 173.8:
    * O T HA    LEU   73 - HB2   LEU   73   2.59 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.00 173.81) = 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 = 5.12, residual support = 173.8:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.882% * 95.5463% (1.00  10.0 10.00   5.12 173.81) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   7.53 +/- 0.87   0.020% *  0.0947% (0.99   1.0  1.00   0.02   1.20) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.79 +/- 0.40   0.085% *  0.0167% (0.18   1.0  1.00   0.02  43.47) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  11.80 +/- 1.42   0.001% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.83 +/- 1.63   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.90 +/- 1.35   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.53 +/- 1.03   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.73 +/- 0.91   0.004% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.01 +/- 1.59   0.005% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.50 +/- 1.43   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  14.12 +/- 1.56   0.000% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  17.84 +/- 1.69   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.02 +/- 1.05   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.52 +/- 2.28   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.40 +/- 1.26   0.000% *  0.0167% (0.18   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 = 173.8:
    * O T QD1   LEU   73 - HB2   LEU   73   2.30 +/- 0.20  99.883% * 98.2281% (1.00  10.0 10.00   5.00 173.81) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.80 +/- 1.02   0.028% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   73  10.58 +/- 3.76   0.060% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  13.76 +/- 0.94   0.003% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.07 +/- 0.94   0.013% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73  11.67 +/- 1.86   0.011% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.59 +/- 1.26   0.002% *  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 = 0.994, support = 6.19, residual support = 172.5:
    * O T QD2   LEU   73 - HB2   LEU   73   2.84 +/- 0.29  82.504% * 95.0706% (1.00  10.0 10.00   6.22 173.81) =  99.214%  kept
          QG1   VAL   43 - HB2   LEU   73   4.34 +/- 0.94  17.157% *  3.6181% (0.28   1.0  1.00   2.74   8.34) =   0.785%  kept
          HG    LEU   31 - HB2   LEU   73   8.66 +/- 1.37   0.147% *  0.0917% (0.97   1.0  1.00   0.02   1.33) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   8.09 +/- 0.54   0.183% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.72 +/- 1.34   0.009% *  0.8526% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.52 +/- 1.74   0.001% *  0.3243% (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 = 5.12, residual support = 173.8:
    * O T HA    LEU   73 - HB3   LEU   73   2.69 +/- 0.34 100.000% *100.0000% (1.00  10.0 10.00   5.12 173.81) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 173.8:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 98.2609% (1.00  10.0 10.00   5.12 173.81) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.54 +/- 0.87   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  13.75 +/- 1.30   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.58 +/- 0.88   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  21.89 +/- 2.12   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  15.22 +/- 1.48   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.09 +/- 1.26   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.45 +/- 1.31   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.73 +/- 0.93   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.47 +/- 2.13   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 173.8:
    * O T QD1   LEU   73 - HB3   LEU   73   2.40 +/- 0.19  99.861% * 97.5376% (1.00  10.0 10.00   5.09 173.81) =  99.999%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.94 +/- 3.93   0.068% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73   9.55 +/- 1.05   0.036% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.41 +/- 0.79   0.004% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.79 +/- 0.85   0.015% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.36 +/- 1.45   0.003% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73  11.99 +/- 1.99   0.012% *  0.0171% (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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.28, residual support = 173.7:
    * O T QD2   LEU   73 - HB3   LEU   73   2.93 +/- 0.30  81.550% * 99.1570% (1.00  10.0 10.00   6.28 173.81) =  99.939%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.04 +/- 0.73  17.907% *  0.2757% (0.28   1.0 10.00   0.02   8.34) =   0.061%
          HG    LEU   31 - HB3   LEU   73   8.63 +/- 1.38   0.265% *  0.0957% (0.97   1.0  1.00   0.02   1.33) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   7.85 +/- 0.62   0.262% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.58 +/- 1.57   0.013% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.07 +/- 1.44   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.8:
    *   T HA    LEU   73 - QD1   LEU   73   3.82 +/- 0.12  99.484% * 98.7705% (1.00 10.00   5.00 173.81) =  99.995%  kept
        T HA    LEU   73 - QD1   LEU   63   9.46 +/- 0.74   0.472% *  0.9877% (1.00 10.00   0.02   0.02) =   0.005%
        T HA    LEU   73 - QD1   LEU  104  13.98 +/- 0.68   0.044% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.961, support = 4.85, residual support = 166.6:
    * O T HB2   LEU   73 - QD1   LEU   73   2.30 +/- 0.20  34.778% * 92.1000% (1.00  10.0 10.00   5.00 173.81) =  95.417%  kept
          QD    LYS+  99 - QD1   LEU  104   2.28 +/- 0.60  45.645% *  1.8055% (0.23   1.0  1.00   1.74  17.08) =   2.455%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.60 +/- 0.46  19.050% *  3.7485% (0.05   1.0 10.00   1.49  17.08) =   2.127%  kept
          QG1   ILE   56 - QD1   LEU   63   5.21 +/- 0.39   0.274% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.80 +/- 1.02   0.008% *  0.9210% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.29 +/- 1.49   0.032% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.45 +/- 0.87   0.143% *  0.0093% (0.10   1.0  1.00   0.02   0.14) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.67 +/- 0.47   0.014% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63   9.99 +/- 0.61   0.006% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.35 +/- 0.98   0.004% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63  10.03 +/- 0.69   0.006% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.34 +/- 1.29   0.003% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.89 +/- 0.50   0.012% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  13.76 +/- 0.94   0.001% *  0.2254% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.71 +/- 0.63   0.002% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.90 +/- 1.44   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104   9.94 +/- 1.47   0.008% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.54 +/- 0.67   0.004% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  13.76 +/- 0.88   0.001% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.29 +/- 0.74   0.003% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.47 +/- 0.72   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.25 +/- 0.71   0.002% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  13.56 +/- 0.85   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.35 +/- 0.95   0.001% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  17.70 +/- 1.65   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.27 +/- 1.65   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.20 +/- 0.73   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.28 +/- 1.61   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.14 +/- 0.54   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.03 +/- 0.68   0.000% *  0.0137% (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 = 5.09, residual support = 173.8:
    * O T HB3   LEU   73 - QD1   LEU   73   2.40 +/- 0.19  94.925% * 96.9771% (1.00  10.0 10.00   5.09 173.81) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   63   5.23 +/- 0.76   1.323% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63   9.55 +/- 1.05   0.034% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   73   6.32 +/- 0.45   0.330% *  0.0961% (0.99   1.0  1.00   0.02   1.20) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   8.18 +/- 1.40   0.130% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   6.57 +/- 0.79   0.333% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.36 +/- 0.81   0.408% *  0.0237% (0.24   1.0  1.00   0.02   0.14) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.81 +/- 0.97   0.256% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.96 +/- 0.53   0.627% *  0.0089% (0.09   1.0  1.00   0.02   6.08) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.81 +/- 0.63   0.049% *  0.0961% (0.99   1.0  1.00   0.02   1.82) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.88 +/- 0.37   0.041% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.96 +/- 0.32   0.190% *  0.0170% (0.18   1.0  1.00   0.02  43.47) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.11 +/- 0.68   0.077% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.27 +/- 1.00   0.114% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   7.18 +/- 1.89   0.491% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.00 +/- 0.45   0.078% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.52 +/- 0.90   0.017% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   7.17 +/- 0.83   0.242% *  0.0059% (0.06   1.0  1.00   0.02   6.08) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.23 +/- 1.05   0.088% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.20 +/- 0.56   0.034% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.41 +/- 0.79   0.004% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.78 +/- 1.02   0.010% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.56 +/- 1.14   0.032% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.66 +/- 1.01   0.035% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   8.81 +/- 1.47   0.082% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.32 +/- 0.81   0.018% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.69 +/- 1.13   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.65 +/- 1.03   0.006% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  14.71 +/- 1.02   0.002% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  14.66 +/- 0.91   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.73 +/- 1.27   0.006% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  15.16 +/- 1.57   0.002% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.29 +/- 0.97   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.79 +/- 0.96   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  15.69 +/- 0.81   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.63 +/- 0.60   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.57 +/- 0.82   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.83 +/- 0.99   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.15 +/- 1.75   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.08 +/- 1.12   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.86 +/- 0.66   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.61   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  19.53 +/- 1.03   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.89 +/- 0.88   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  20.89 +/- 1.45   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 6.19, residual support = 172.9:
    * O T QD2   LEU   73 - QD1   LEU   73   2.01 +/- 0.07  78.134% * 94.7825% (1.00  10.0 10.00   6.22 173.81) =  99.478%  kept
          QG1   VAL   43 - QD1   LEU   73   2.83 +/- 0.67  19.946% *  1.9290% (0.28   1.0  1.00   1.46   8.34) =   0.517%  kept
        T QG1   VAL   41 - QD1   LEU   73   5.12 +/- 0.62   0.450% *  0.4249% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - QD1   LEU   73   5.01 +/- 0.98   0.801% *  0.0915% (0.97   1.0  1.00   0.02   1.33) =   0.001%
        T QD2   LEU   73 - QD1   LEU   63   7.77 +/- 0.64   0.027% *  0.9478% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   5.99 +/- 1.40   0.316% *  0.0791% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   5.82 +/- 0.45   0.155% *  0.0850% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.49 +/- 0.74   0.088% *  0.1040% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.64 +/- 0.69   0.015% *  0.3233% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.09 +/- 0.55   0.010% *  0.4249% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.15 +/- 0.75   0.005% *  0.2320% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.38 +/- 0.60   0.037% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.63 +/- 1.00   0.001% *  0.0850% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.99 +/- 1.23   0.000% *  0.3233% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.93 +/- 1.08   0.001% *  0.0915% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   9.10 +/- 0.86   0.011% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.54 +/- 1.57   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.24 +/- 0.85   0.001% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 173.8:
    *   T HA    LEU   73 - QD2   LEU   73   2.29 +/- 0.44 100.000% * 99.6602% (1.00 10.00   6.22 173.81) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.70 +/- 1.34   0.000% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 173.8:
    * O T HB2   LEU   73 - QD2   LEU   73   2.84 +/- 0.29  98.972% * 98.3218% (1.00  10.0 10.00   6.22 173.81) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.17 +/- 0.83   0.292% *  0.2169% (0.22   1.0 10.00   0.02   2.47) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121   9.18 +/- 1.55   0.274% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.64 +/- 0.96   0.024% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.70 +/- 0.97   0.053% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.54 +/- 1.44   0.137% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  11.89 +/- 1.13   0.024% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.17 +/- 0.93   0.013% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.87 +/- 0.73   0.041% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.17 +/- 1.56   0.103% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  14.46 +/- 1.05   0.007% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.94 +/- 0.60   0.014% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.52 +/- 1.74   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.40 +/- 1.42   0.008% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.39 +/- 1.29   0.024% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.18 +/- 1.77   0.004% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.61 +/- 1.53   0.005% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.23 +/- 1.69   0.002% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.09 +/- 2.01   0.002% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.87 +/- 1.42   0.001% *  0.0324% (0.33   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 = 0.91, support = 6.24, residual support = 186.6:
    * O T HB3   LEU   73 - QD2   LEU   73   2.93 +/- 0.30  32.786% * 89.5688% (1.00  10.0 10.00   6.28 173.81) =  90.468%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.58 +/- 0.30  63.731% *  4.7127% (0.05  10.0 10.00   5.98 317.30) =   9.253%  kept
          HB    VAL   42 - QD2   LEU   73   4.84 +/- 0.59   2.064% *  4.3803% (0.99   1.0  1.00   0.99   1.20) =   0.279%
          HG3   LYS+  33 - QD2   LEU   73   8.05 +/- 1.36   0.123% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.07 +/- 0.80   0.270% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   6.04 +/- 0.54   0.482% *  0.0157% (0.18   1.0  1.00   0.02  43.47) =   0.000%
          HG    LEU   98 - QD2   LEU   73   7.38 +/- 0.93   0.160% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   6.91 +/- 1.15   0.270% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.31 +/- 0.92   0.049% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.23 +/- 0.79   0.007% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  12.50 +/- 0.99   0.006% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.45 +/- 1.83   0.002% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.59 +/- 1.46   0.007% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.09 +/- 0.92   0.003% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  12.68 +/- 1.61   0.007% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  13.68 +/- 1.30   0.003% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.07 +/- 1.44   0.000% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  13.39 +/- 1.60   0.004% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  13.80 +/- 1.40   0.004% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.68 +/- 1.15   0.009% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.15 +/- 1.35   0.002% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.11 +/- 1.67   0.006% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.93 +/- 1.08   0.000% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.95 +/- 1.24   0.002% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.53 +/- 1.22   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.14 +/- 1.36   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.72 +/- 1.96   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.57 +/- 1.32   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  22.01 +/- 1.25   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  25.26 +/- 1.78   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 173.8:
    * O T QD1   LEU   73 - QD2   LEU   73   2.01 +/- 0.07  99.405% * 97.3141% (1.00  10.0 10.00   6.22 173.81) =  99.999%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   5.99 +/- 1.40   0.432% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU   73   7.77 +/- 0.64   0.034% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.64 +/- 0.69   0.019% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.15 +/- 0.75   0.007% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.38 +/- 0.64   0.022% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73  10.76 +/- 3.12   0.015% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.69 +/- 0.89   0.047% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.38 +/- 0.76   0.012% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.18 +/- 0.77   0.002% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.99 +/- 1.23   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73  11.67 +/- 1.59   0.004% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  24.37 +/- 3.97   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  23.99 +/- 3.96   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 = 187.2:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.71 +/- 0.13  99.847% * 99.4757% (0.64  10.0 10.00   6.31 187.17) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.49 +/- 0.20   0.110% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.91 +/- 1.55   0.012% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.08 +/- 0.86   0.006% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.35 +/- 1.46   0.004% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.75 +/- 1.21   0.008% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  14.05 +/- 1.08   0.006% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.24 +/- 0.93   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.75 +/- 0.60   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.81 +/- 1.44   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 0.04 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.2:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.37 +/- 0.30  99.871% * 99.1206% (0.80  10.0 10.00   6.28 187.17) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   9.59 +/- 0.53   0.031% *  0.0915% (0.74   1.0  1.00   0.02   7.69) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.92 +/- 1.06   0.012% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.08 +/- 1.37   0.057% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  10.66 +/- 0.90   0.016% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.67 +/- 0.94   0.006% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.65 +/- 1.87   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.91 +/- 2.61   0.005% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.54 +/- 0.97   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.66 +/- 1.04   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 5.56, residual support = 183.7:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.54 +/- 0.10  77.222% * 92.2583% (0.80  10.0 10.00   5.57 187.17) =  97.766%  kept
          HB    VAL   75 - HA    LYS+  74   4.43 +/- 0.39  22.197% *  7.3331% (0.25   1.0  1.00   5.15  31.82) =   2.234%  kept
          QD1   LEU   67 - HA    LYS+  74  10.47 +/- 1.51   0.193% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    LYS+  74   9.56 +/- 0.79   0.257% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.80 +/- 0.96   0.064% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  14.25 +/- 0.66   0.019% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.66 +/- 0.87   0.026% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  14.00 +/- 0.90   0.022% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.37 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.2:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.94 +/- 0.53  99.817% * 99.2156% (0.80 10.00   5.91 187.17) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.91 +/- 0.58   0.108% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.87 +/- 1.28   0.027% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  12.81 +/- 1.55   0.026% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  14.04 +/- 0.93   0.014% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.80 +/- 1.24   0.002% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  19.87 +/- 2.44   0.004% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.24 +/- 1.00   0.003% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.80 +/- 1.87   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.17 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.2:
    *   T QE    LYS+  74 - HA    LYS+  74   2.33 +/- 0.51  99.560% * 99.7560% (0.80 10.00   4.93 187.17) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   6.79 +/- 0.65   0.400% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.91 +/- 0.93   0.026% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.79 +/- 0.60   0.013% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  18.02 +/- 0.29   0.001% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 1 structures by 0.10 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.2:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.71 +/- 0.13  99.988% * 99.8966% (0.64  10.0 10.00   6.31 187.17) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  13.12 +/- 0.48   0.008% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.71 +/- 0.57   0.004% *  0.0278% (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 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 = 187.2:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.03 +/- 0.02  99.554% * 99.1206% (0.80  10.0 10.00   5.85 187.17) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.41 +/- 0.72   0.259% *  0.0915% (0.74   1.0  1.00   0.02   7.69) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.77 +/- 1.46   0.039% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.13 +/- 1.22   0.030% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.25 +/- 1.39   0.088% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.81 +/- 1.29   0.020% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.73 +/- 1.80   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  16.54 +/- 2.65   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.61 +/- 1.19   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.23 +/- 1.05   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 0.08 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.2:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.65 +/- 0.08  99.251% * 97.9320% (0.80  10.0 10.00   5.27 187.17) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.58 +/- 2.17   0.071% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  74   6.37 +/- 0.42   0.578% *  0.0302% (0.25   1.0  1.00   0.02  31.82) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.81 +/- 1.11   0.009% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.12 +/- 1.02   0.082% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  16.06 +/- 0.81   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  15.49 +/- 1.01   0.003% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.76 +/- 1.08   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 = 187.2:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.25 +/- 0.29  99.971% * 97.4681% (0.80  10.0 10.00   6.31 187.17) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  11.97 +/- 1.03   0.006% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74  10.00 +/- 0.53   0.017% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.74 +/- 1.32   0.000% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  21.82 +/- 2.36   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.64 +/- 1.02   0.003% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  13.82 +/- 1.43   0.003% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.39 +/- 1.35   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.46 +/- 2.26   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 = 187.2:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.17 +/- 0.46  97.994% * 99.7560% (0.80 10.00   4.62 187.17) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.60 +/- 0.98   1.888% *  0.0308% (0.25  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HB2   LYS+  74  11.50 +/- 1.16   0.060% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  11.98 +/- 1.03   0.054% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.63 +/- 0.86   0.004% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 187.2:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.37 +/- 0.30  99.839% * 99.7790% (0.80  10.0 10.00   6.28 187.17) = 100.000%  kept
          HA    THR   94 - HG3   LYS+ 111   8.95 +/- 1.88   0.107% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG2   LYS+  74  11.46 +/- 0.77   0.009% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.76 +/- 0.83   0.005% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.99 +/- 2.02   0.038% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.65 +/- 1.87   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 187.2:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.03 +/- 0.02  97.678% * 99.3145% (0.80  10.0 10.00   5.85 187.17) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.46 +/- 0.38   0.109% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.36 +/- 1.50   0.580% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.60 +/- 1.36   1.502% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.26 +/- 2.21   0.041% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.35 +/- 1.56   0.007% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.26 +/- 1.42   0.007% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.28 +/- 1.96   0.014% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.33 +/- 1.35   0.010% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.03 +/- 1.11   0.002% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.50 +/- 0.85   0.021% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.40 +/- 1.56   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.73 +/- 1.80   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.53 +/- 1.69   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  13.75 +/- 1.60   0.014% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  21.84 +/- 2.20   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.64 +/- 1.63   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.09 +/- 1.66   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.60 +/- 3.04   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.34 +/- 2.32   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 = 187.2:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.884% * 99.3075% (1.00  10.0 10.00   4.54 187.17) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.74 +/- 0.66   0.103% *  0.0307% (0.31   1.0  1.00   0.02  31.82) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  10.99 +/- 2.09   0.005% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.45 +/- 0.99   0.003% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.99 +/- 1.36   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.55 +/- 0.87   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.06 +/- 1.37   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.13 +/- 0.93   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  12.97 +/- 1.72   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.04 +/- 1.73   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  11.92 +/- 0.96   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.50 +/- 1.85   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.59 +/- 1.70   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.02 +/- 2.47   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  16.49 +/- 2.01   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.46 +/- 2.59   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.913, support = 5.53, residual support = 199.4:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.91 +/- 0.15  45.727% * 89.4618% (1.00  10.0 10.00   5.54 187.17) =  90.438%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.26  54.158% *  7.9861% (0.09  10.0 10.00   5.40 315.02) =   9.562%  kept
        T QD    LYS+  65 - HG2   LYS+  74  12.20 +/- 1.88   0.016% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   8.82 +/- 0.71   0.071% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.18 +/- 0.97   0.002% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.93 +/- 2.50   0.001% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.20 +/- 1.82   0.007% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.15 +/- 1.78   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.14 +/- 1.83   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.95 +/- 1.22   0.008% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.00 +/- 1.33   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.38 +/- 2.30   0.001% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.04 +/- 1.53   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.03 +/- 1.95   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.61 +/- 2.11   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.04 +/- 1.46   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.39 +/- 2.63   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.02 +/- 4.72   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.2:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.43 +/- 0.55  99.633% * 99.6238% (1.00  10.0 10.00   4.54 187.17) = 100.000%  kept
          QB    CYS   50 - HG2   LYS+  74   9.89 +/- 1.47   0.112% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG2   LYS+  74   7.51 +/- 1.18   0.192% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.86 +/- 1.24   0.048% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.55 +/- 1.75   0.003% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.99 +/- 2.17   0.008% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  18.77 +/- 1.26   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.72 +/- 2.64   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.64 +/- 2.10   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.90 +/- 2.24   0.000% *  0.0081% (0.08   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 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.2:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.54 +/- 0.10  99.929% * 99.8966% (0.80  10.0 10.00   5.57 187.17) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.93 +/- 0.65   0.044% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  14.00 +/- 0.78   0.028% *  0.0278% (0.22   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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.2:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.65 +/- 0.08  99.904% * 98.5261% (0.80  10.0 10.00   5.27 187.17) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.54 +/- 0.33   0.047% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.97 +/- 1.38   0.002% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.47 +/- 2.12   0.030% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.05 +/- 1.39   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  15.81 +/- 1.35   0.003% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.21 +/- 1.91   0.007% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.49 +/- 1.01   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.21 +/- 1.20   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.34 +/- 1.48   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 = 187.2:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.986% * 99.1206% (1.00  10.0 10.00   4.54 187.17) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.69 +/- 1.16   0.005% *  0.0915% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.36 +/- 1.42   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  11.64 +/- 1.36   0.002% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.26 +/- 1.02   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.00 +/- 0.88   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.04 +/- 1.73   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  16.64 +/- 2.46   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.70 +/- 1.50   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.66 +/- 1.49   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 = 187.2:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.81 +/- 0.11  99.819% * 99.2156% (1.00  10.0 10.00   4.97 187.17) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   8.66 +/- 0.62   0.128% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  11.39 +/- 1.79   0.038% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  14.13 +/- 1.50   0.008% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.19 +/- 0.95   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  21.60 +/- 1.76   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.02 +/- 2.40   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.81 +/- 1.14   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.26 +/- 1.89   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.2:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.18 +/- 0.26  98.757% * 99.7560% (1.00  10.0 10.00   4.00 187.17) =  99.999%  kept
          HB2   PHE   72 - HG3   LYS+  74   7.50 +/- 0.96   1.008% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74  10.20 +/- 1.65   0.166% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.15 +/- 1.13   0.066% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  18.54 +/- 1.15   0.003% *  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 = 187.2:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.94 +/- 0.53  99.954% * 99.6012% (0.80 10.00   5.91 187.17) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.91 +/- 0.91   0.027% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  13.31 +/- 0.92   0.016% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.80 +/- 1.24   0.002% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.64 +/- 1.21   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.32 +/- 1.23   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 = 187.2:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.25 +/- 0.29  99.704% * 98.0482% (0.80  10.0 10.00   6.31 187.17) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.38 +/- 1.68   0.008% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.93 +/- 1.41   0.141% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.72 +/- 0.24   0.020% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  13.78 +/- 2.53   0.075% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  15.11 +/- 1.71   0.003% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.37 +/- 1.80   0.000% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.05 +/- 1.61   0.002% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.36 +/- 1.03   0.035% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.58 +/- 2.19   0.004% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.25 +/- 1.89   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.28 +/- 1.30   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.39 +/- 1.35   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.72 +/- 1.14   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.54 +/- 2.12   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  15.18 +/- 1.68   0.002% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.13 +/- 0.47   0.001% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  16.92 +/- 1.85   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.41 +/- 1.67   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.42 +/- 1.72   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 0.08 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.822, support = 5.5, residual support = 193.8:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.91 +/- 0.15  23.733% * 90.7641% (1.00  10.0 10.00   5.54 187.17) =  80.778%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.16  75.488% *  6.7893% (0.07  10.0 10.00   5.30 221.56) =  19.219%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.34 +/- 0.78   0.321% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QD    LYS+  38   6.52 +/- 0.68   0.350% *  0.0121% (0.13   1.0  1.00   0.02  27.84) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.79 +/- 1.10   0.025% *  0.0838% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.73 +/- 1.39   0.052% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.26 +/- 1.47   0.008% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.96 +/- 1.72   0.005% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.88 +/- 1.55   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.04 +/- 1.15   0.012% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.60   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.14 +/- 1.83   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  16.07 +/- 2.44   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.15 +/- 1.78   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.37 +/- 1.41   0.002% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.13 +/- 1.34   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.39 +/- 2.63   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.16 +/- 1.77   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.11 +/- 1.56   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  28.71 +/- 3.43   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.2:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.81 +/- 0.11  97.788% * 99.2094% (1.00  10.0 10.00   4.97 187.17) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.52 +/- 0.98   1.275% *  0.0306% (0.31   1.0  1.00   0.02  31.82) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  10.42 +/- 2.39   0.138% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   7.66 +/- 0.84   0.334% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  11.53 +/- 1.98   0.266% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.15 +/- 1.28   0.060% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.89 +/- 1.40   0.013% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.20 +/- 0.95   0.052% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  11.87 +/- 0.97   0.020% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  11.47 +/- 1.70   0.033% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.77 +/- 1.15   0.004% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.69 +/- 1.24   0.009% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  15.43 +/- 1.33   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  21.60 +/- 1.76   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.56 +/- 1.87   0.004% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  21.05 +/- 1.10   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 = 187.2:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.24 +/- 0.09  99.465% * 99.4851% (1.00  10.0 10.00   4.97 187.17) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   6.98 +/- 1.52   0.399% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  10.51 +/- 2.09   0.108% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74  10.14 +/- 1.21   0.016% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.49 +/- 1.70   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.58 +/- 1.27   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.18 +/- 1.44   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  15.59 +/- 1.61   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.10 +/- 1.26   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.71 +/- 1.53   0.000% *  0.0082% (0.08   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 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.2:
    *   T HA    LYS+  74 - QE    LYS+  74   2.33 +/- 0.51  99.933% * 99.8966% (0.80 10.00   4.93 187.17) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.10 +/- 0.71   0.048% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.59 +/- 0.85   0.018% *  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 = 187.2:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.17 +/- 0.46  99.427% * 99.4757% (0.80 10.00   4.62 187.17) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   9.32 +/- 0.23   0.188% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.23 +/- 1.33   0.132% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.12 +/- 1.33   0.044% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.01 +/- 1.15   0.028% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.97 +/- 1.43   0.058% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.32 +/- 0.98   0.070% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.88 +/- 0.81   0.012% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.93 +/- 1.20   0.032% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.07 +/- 1.44   0.009% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.18 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.2:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.43 +/- 0.55  98.995% * 99.1206% (1.00  10.0 10.00   4.54 187.17) = 100.000%  kept
          QG2   ILE   56 - QE    LYS+  74   6.59 +/- 1.26   0.775% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  74   9.46 +/- 0.78   0.107% *  0.0915% (0.92   1.0  1.00   0.02   7.69) =   0.000%
          QB    ALA   91 - QE    LYS+  74   9.13 +/- 1.06   0.067% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.82 +/- 1.18   0.026% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.11 +/- 1.17   0.019% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.55 +/- 1.75   0.003% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  13.68 +/- 2.26   0.007% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.14 +/- 1.17   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.45 +/- 1.03   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 186.2:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.18 +/- 0.26  89.872% * 93.7724% (1.00  10.0 10.00   4.00 187.17) =  99.355%  kept
          HB    VAL   75 - QE    LYS+  74   5.31 +/- 1.13   9.397% *  5.8123% (0.31   1.0  1.00   4.02  31.82) =   0.644%  kept
          QD1   LEU   67 - QE    LYS+  74   9.11 +/- 1.60   0.383% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.39 +/- 0.86   0.175% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.91 +/- 1.04   0.072% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  13.07 +/- 0.84   0.022% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.35 +/- 0.93   0.054% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.88 +/- 0.98   0.024% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 187.2:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.24 +/- 0.09  99.847% * 99.2156% (1.00  10.0 10.00   4.97 187.17) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   6.98 +/- 0.57   0.127% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.30 +/- 1.16   0.015% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  16.49 +/- 2.22   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  12.17 +/- 1.35   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.58 +/- 1.27   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.02 +/- 0.90   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.59 +/- 1.34   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  17.47 +/- 1.99   0.001% *  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 = 84.6:
    * O T HB    VAL   75 - HA    VAL   75   2.73 +/- 0.33  98.846% * 99.3939% (1.00  10.0 10.00   3.44  84.60) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   6.05 +/- 0.51   1.129% *  0.0307% (0.31   1.0  1.00   0.02  31.82) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.28 +/- 0.72   0.004% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.83 +/- 1.60   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  14.47 +/- 0.96   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.95 +/- 0.82   0.003% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  19.75 +/- 0.61   0.001% *  0.0174% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T QG1   VAL   75 - HA    VAL   75   2.69 +/- 0.15  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.57 +/- 1.39   0.006% *  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 = 84.6:
    * O T QG2   VAL   75 - HA    VAL   75   2.48 +/- 0.46  99.980% * 99.9036% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  11.27 +/- 0.85   0.020% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 84.6:
    * O T HA    VAL   75 - HB    VAL   75   2.73 +/- 0.33  99.978% * 99.7003% (1.00  10.0 10.00   3.44  84.60) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.62 +/- 1.30   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.93 +/- 1.16   0.002% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.29 +/- 1.03   0.012% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.58 +/- 0.89   0.004% *  0.0135% (0.14   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 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 = 84.6:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.60) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.38 +/- 1.53   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.6:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.990% * 99.0442% (1.00  10.0 10.00   3.31  84.60) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75  10.15 +/- 0.73   0.010% *  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 = 84.6:
    * O T HA    VAL   75 - QG1   VAL   75   2.69 +/- 0.15  99.961% * 99.6578% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.37 +/- 0.80   0.013% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.62 +/- 0.83   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  11.93 +/- 0.70   0.016% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  16.20 +/- 0.67   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.6:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.902% * 99.7607% (1.00  10.0 10.00   3.44  84.60) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.99 +/- 0.40   0.087% *  0.0308% (0.31   1.0  1.00   0.02  31.82) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  12.37 +/- 0.79   0.003% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.45 +/- 0.89   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  12.48 +/- 0.83   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.76 +/- 0.72   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  16.20 +/- 0.69   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 = 84.6:
    * O T QG2   VAL   75 - QG1   VAL   75   2.08 +/- 0.04  99.990% * 99.9036% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.83 +/- 0.69   0.010% *  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 = 84.6:
    * O T HA    VAL   75 - QG2   VAL   75   2.48 +/- 0.46  99.954% * 99.8572% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.67 +/- 1.03   0.009% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  11.51 +/- 0.83   0.023% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  13.69 +/- 0.85   0.008% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.17 +/- 1.00   0.005% *  0.0175% (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 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.6:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.01  99.809% * 99.7607% (1.00  10.0 10.00   3.31  84.60) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.27 +/- 0.45   0.169% *  0.0308% (0.31   1.0  1.00   0.02  31.82) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.80 +/- 0.82   0.006% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.06 +/- 1.19   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  11.51 +/- 0.85   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.16 +/- 0.83   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  14.70 +/- 0.80   0.001% *  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 = 84.6:
    * O T QG1   VAL   75 - QG2   VAL   75   2.08 +/- 0.04  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.60) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.59 +/- 1.50   0.006% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.94, residual support = 36.5:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.84 +/- 0.16  96.997% * 99.1090% (1.00  10.0 10.00   2.94  36.50) =  99.998%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.68 +/- 0.51   1.718% *  0.0720% (0.73   1.0  1.00   0.02   3.05) =   0.001%
        T QE    LYS+  66 - HA    LEU   67   6.75 +/- 0.80   0.767% *  0.0362% (0.04   1.0 10.00   0.02  11.16) =   0.000%
          HB2   ASN   69 - HA    LEU   67   7.02 +/- 0.58   0.505% *  0.0159% (0.16   1.0  1.00   0.02   3.14) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  19.18 +/- 1.34   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  15.43 +/- 2.12   0.007% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.39 +/- 1.02   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.70 +/- 1.49   0.000% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.77 +/- 1.20   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.99 +/- 0.42   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.88 +/- 1.27   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.25 +/- 0.94   0.000% *  0.0025% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.5:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.78 +/- 0.27  99.865% * 99.2676% (0.87  10.0 10.00   3.00  36.50) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  12.27 +/- 1.58   0.019% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.36 +/- 1.02   0.060% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  14.36 +/- 1.16   0.007% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  17.37 +/- 0.80   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.08 +/- 1.18   0.009% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.82 +/- 1.14   0.022% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.01 +/- 1.19   0.008% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  21.96 +/- 1.25   0.001% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  20.71 +/- 0.85   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.55 +/- 0.73   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.21 +/- 0.68   0.004% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.79 +/- 0.86   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.18 +/- 1.26   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  25.00 +/- 1.39   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  26.67 +/- 1.45   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.94, residual support = 36.5:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.84 +/- 0.16  99.206% * 99.3094% (1.00  10.0 10.00   2.94  36.50) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   6.75 +/- 0.80   0.785% *  0.0515% (0.05   1.0 10.00   0.02  11.16) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  15.43 +/- 2.12   0.007% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  19.18 +/- 1.34   0.001% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.39 +/- 1.02   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.70 +/- 1.49   0.000% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.93, residual support = 36.5:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.873% * 98.9845% (0.87  10.0 10.00   2.93  36.50) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.10 +/- 1.99   0.096% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.92 +/- 2.23   0.024% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  13.92 +/- 1.90   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.61 +/- 0.77   0.002% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.50 +/- 2.16   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.06 +/- 1.38   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.66 +/- 1.46   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  17.14 +/- 1.17   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  16.28 +/- 1.23   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  21.78 +/- 1.22   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  23.07 +/- 0.96   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  17.96 +/- 1.70   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  21.07 +/- 0.89   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.75 +/- 1.45   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.85 +/- 0.95   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  27.24 +/- 1.08   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.95 +/- 1.20   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  22.34 +/- 1.84   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.42 +/- 1.15   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.23 +/- 1.93   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.32 +/- 1.27   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.50 +/- 1.29   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  24.44 +/- 2.13   0.000% *  0.0023% (0.02   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 = 36.5:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.78 +/- 0.27  99.999% * 99.7513% (0.87  10.0 10.00   3.00  36.50) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  21.96 +/- 1.25   0.001% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.93, residual support = 36.5:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  99.774% * 99.3726% (0.87  10.0 10.00   2.93  36.50) = 100.000%  kept
          HB2   ASP-  78 - HB3   ASP-  76   5.31 +/- 0.85   0.226% *  0.0722% (0.63   1.0  1.00   0.02   3.05) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  18.66 +/- 1.46   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  21.78 +/- 1.22   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  16.19 +/- 1.50   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  24.59 +/- 0.81   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 = 37.7:
    * O T HB    THR   77 - HA    THR   77   2.52 +/- 0.09  99.541% * 99.3000% (1.00  10.0 10.00   3.00  37.67) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.43 +/- 0.30   0.371% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77  10.19 +/- 1.81   0.037% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.55 +/- 1.01   0.024% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.44 +/- 1.62   0.017% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.62 +/- 1.27   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  13.86 +/- 1.04   0.004% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  21.45 +/- 1.54   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  25.41 +/- 0.78   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.01 +/- 1.01   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.97 +/- 2.06   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.06 +/- 1.61   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 = 37.7:
    * O T QG2   THR   77 - HA    THR   77   2.47 +/- 0.21  99.879% * 99.7982% (1.00  10.0 10.00   3.00  37.67) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.43 +/- 0.98   0.048% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.68 +/- 0.91   0.072% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.69 +/- 2.64   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  25.92 +/- 1.28   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  28.54 +/- 1.20   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - HB    THR   77   2.52 +/- 0.09  99.903% * 99.9104% (1.00  10.0 10.00   3.00  37.67) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   9.33 +/- 1.63   0.094% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  14.57 +/- 1.13   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.960% * 99.5496% (1.00  10.0 10.00   2.82  37.67) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.64 +/- 1.11   0.031% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  10.51 +/- 0.92   0.009% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  17.41 +/- 2.60   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  27.01 +/- 1.18   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  30.07 +/- 1.33   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.47 +/- 0.21  99.611% * 99.9104% (1.00  10.0 10.00   3.00  37.67) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   6.86 +/- 1.11   0.376% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77  11.20 +/- 0.90   0.013% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.782% * 99.3000% (1.00  10.0 10.00   2.82  37.67) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.52 +/- 0.71   0.071% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.26 +/- 0.40   0.074% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   9.87 +/- 1.81   0.020% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.33 +/- 1.15   0.023% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77   9.54 +/- 1.06   0.019% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.05 +/- 1.74   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  17.09 +/- 0.99   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  20.73 +/- 0.62   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.57 +/- 0.95   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.57 +/- 1.40   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.02 +/- 1.23   0.000% *  0.0408% (0.41   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 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.78, residual support = 36.2:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.88 +/- 0.19  97.518% * 99.6931% (1.00  10.0 10.00   2.78  36.17) =  99.998%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.52 +/- 0.61   2.449% *  0.0724% (0.73   1.0  1.00   0.02   3.05) =   0.002%
          HB2   ASP-  86 - HA    ASP-  78  11.44 +/- 1.04   0.031% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  20.03 +/- 2.28   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  21.14 +/- 2.07   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  23.65 +/- 1.58   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.08 +/- 0.44   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 36.2:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.75 +/- 0.20  99.829% * 99.8720% (1.00  10.0 10.00   2.31  36.17) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.15 +/- 1.63   0.142% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.18 +/- 1.25   0.028% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.25 +/- 1.22   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  26.11 +/- 2.39   0.000% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.78, residual support = 36.2:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.88 +/- 0.19  98.800% * 99.8154% (1.00  10.0 10.00   2.78  36.17) =  99.999%  kept
          HA    LEU   80 - HB2   ASP-  78   6.95 +/- 0.96   1.117% *  0.0486% (0.49   1.0  1.00   0.02   4.81) =   0.001%
          HA    THR   23 - HB2   ASP-  78  11.43 +/- 1.78   0.042% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  11.45 +/- 1.70   0.041% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  26.40 +/- 0.95   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.32, residual support = 36.2:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.975% * 99.8720% (1.00  10.0 10.00   2.32  36.17) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.67 +/- 1.76   0.022% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.39 +/- 1.43   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.79 +/- 1.23   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  26.11 +/- 1.85   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 = 36.2:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.75 +/- 0.20  99.592% * 99.8154% (1.00  10.0 10.00   2.31  36.17) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   7.33 +/- 0.69   0.324% *  0.0486% (0.49   1.0  1.00   0.02   4.81) =   0.000%
          HA    THR   23 - HB3   ASP-  78  11.56 +/- 1.94   0.042% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  11.66 +/- 1.92   0.041% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  26.09 +/- 1.03   0.000% *  0.0154% (0.15   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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 36.2:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.293% * 99.6931% (1.00  10.0 10.00   2.32  36.17) =  99.999%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.68 +/- 1.05   0.706% *  0.0724% (0.73   1.0  1.00   0.02   3.05) =   0.001%
          HB2   ASP-  86 - HB3   ASP-  78  13.73 +/- 1.03   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  20.55 +/- 2.31   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  19.50 +/- 2.13   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  23.27 +/- 1.44   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.12 +/- 0.87   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 53.4:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.69 +/- 0.20  99.981% * 98.4729% (1.00  10.0 10.00   4.14  53.41) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  13.56 +/- 2.34   0.010% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  15.67 +/- 2.55   0.005% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.51 +/- 1.79   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  28.16 +/- 2.16   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.80 +/- 2.03   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.14 +/- 2.83   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 53.4:
    * O T QG    GLU-  79 - HA    GLU-  79   2.60 +/- 0.29  99.999% * 99.7507% (1.00  10.0 10.00   3.48  53.41) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  21.93 +/- 2.23   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.32 +/- 1.31   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  24.10 +/- 1.17   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  27.76 +/- 1.69   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  29.67 +/- 1.46   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 53.4:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.69 +/- 0.20  99.624% * 99.4064% (1.00  10.0 10.00   4.14  53.41) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.27 +/- 0.60   0.343% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  12.67 +/- 1.46   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.97 +/- 1.09   0.010% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  16.55 +/- 1.23   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  15.53 +/- 0.68   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  23.73 +/- 1.77   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  25.51 +/- 1.57   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  30.04 +/- 3.29   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 = 3.3, residual support = 53.4:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.39 +/- 0.11  99.999% * 99.7507% (1.00  10.0 10.00   3.30  53.41) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  20.76 +/- 2.29   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.61 +/- 1.45   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  22.23 +/- 1.36   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.29 +/- 1.69   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  27.85 +/- 1.71   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 0.03 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 53.4:
    * O T HA    GLU-  79 - QG    GLU-  79   2.60 +/- 0.29  99.859% * 99.4064% (1.00  10.0 10.00   3.48  53.41) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.38 +/- 0.50   0.103% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  11.75 +/- 1.22   0.024% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.83 +/- 1.35   0.009% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.75 +/- 1.25   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  15.53 +/- 0.79   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  21.78 +/- 2.23   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.88 +/- 1.92   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.28 +/- 3.52   0.000% *  0.0563% (0.57   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 53.4:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.39 +/- 0.11  99.955% * 99.5443% (1.00  10.0 10.00   3.30  53.41) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  10.33 +/- 2.23   0.038% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  14.92 +/- 2.30   0.004% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  15.93 +/- 1.59   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.51 +/- 1.84   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  23.25 +/- 2.79   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.90 +/- 3.23   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 0.03 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 = 5.75, residual support = 83.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.44 +/- 0.39  99.981% * 98.6414% (0.65 10.00   5.75  83.33) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  17.61 +/- 3.40   0.003% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  13.15 +/- 2.62   0.012% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  17.03 +/- 2.97   0.002% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  20.51 +/- 1.57   0.000% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  18.43 +/- 1.54   0.001% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 83.3:
    * O   HA    LEU   80 - HB2   LEU   80   2.87 +/- 0.10  96.377% * 99.6992% (1.00  10.0   5.38  83.33) =  99.997%  kept
          HB    THR   23 - HB2   LEU   80   8.40 +/- 2.97   1.242% *  0.0962% (0.97   1.0   0.02   1.02) =   0.001%
          HA    THR   23 - HB2   LEU   80   8.58 +/- 3.71   1.458% *  0.0798% (0.80   1.0   0.02   1.02) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   6.46 +/- 0.53   0.923% *  0.0485% (0.49   1.0   0.02   4.81) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  24.90 +/- 4.67   0.000% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.11, residual support = 83.3:
    * O T QD1   LEU   80 - HB2   LEU   80   2.92 +/- 0.39  99.930% * 97.5236% (0.65  10.0 10.00   5.11  83.33) = 100.000%  kept
        T QD2   LEU   98 - HB2   LEU   80  16.31 +/- 3.82   0.010% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  15.79 +/- 3.21   0.007% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80  11.94 +/- 2.82   0.047% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  19.14 +/- 2.57   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  17.07 +/- 2.57   0.004% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.15 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.7, residual support = 82.6:
    *   T HA    LEU   80 - QD1   LEU   80   2.44 +/- 0.39  76.004% * 94.1368% (0.65 10.00   5.75  83.33) =  99.097%  kept
          HA    THR   23 - QD1   LEU   80   7.71 +/- 5.03  15.684% *  3.2242% (0.52  1.00   0.86   1.02) =   0.700%  kept
          HB    THR   23 - QD1   LEU   80   7.41 +/- 4.39   8.024% *  1.8188% (0.62  1.00   0.40   1.02) =   0.202%
          HA    ASP-  78 - QD1   LEU   80   6.83 +/- 0.53   0.184% *  0.0458% (0.31  1.00   0.02   4.81) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.86 +/- 0.71   0.074% *  0.0412% (0.28  1.00   0.02   4.15) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  17.61 +/- 3.40   0.002% *  0.5396% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  11.48 +/- 1.52   0.019% *  0.0432% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  13.00 +/- 1.46   0.008% *  0.0521% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  21.99 +/- 4.64   0.001% *  0.0719% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  18.54 +/- 1.45   0.001% *  0.0263% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 110.5:
    * O T QB    LYS+  81 - HA    LYS+  81   2.45 +/- 0.07  99.929% * 97.5498% (1.00  10.0 10.00   4.97 110.48) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.33 +/- 1.35   0.057% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  18.32 +/- 2.41   0.001% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.70 +/- 3.12   0.010% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.59 +/- 1.66   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  20.05 +/- 2.52   0.000% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.89 +/- 1.56   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  32.46 +/- 1.35   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  24.30 +/- 2.61   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  21.95 +/- 3.02   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  27.24 +/- 3.28   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  27.65 +/- 2.53   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  25.32 +/- 0.99   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  33.52 +/- 2.72   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  31.81 +/- 2.02   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 110.5:
    * O T QG    LYS+  81 - HA    LYS+  81   2.30 +/- 0.21  99.999% * 98.1658% (1.00  10.0 10.00   5.26 110.48) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  23.96 +/- 3.36   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  26.93 +/- 3.16   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  15.76 +/- 1.25   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  23.63 +/- 2.58   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.5:
    *   T QD    LYS+  81 - HA    LYS+  81   3.23 +/- 0.75  99.989% * 99.7569% (1.00 10.00   3.44 110.48) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  17.73 +/- 2.24   0.010% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  24.84 +/- 1.27   0.001% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  30.22 +/- 2.81   0.000% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 110.5:
    *   T QE    LYS+  81 - HA    LYS+  81   3.35 +/- 0.63  99.836% * 99.9825% (1.00 10.00   3.44 110.48) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  11.85 +/- 2.72   0.164% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 110.5:
    * O T HA    LYS+  81 - QB    LYS+  81   2.45 +/- 0.07  99.873% * 98.7606% (1.00  10.0 10.00   4.97 110.48) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.64 +/- 0.36   0.112% *  0.0733% (0.07   1.0 10.00   0.02   1.76) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.26 +/- 1.52   0.001% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  11.59 +/- 1.52   0.012% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.59 +/- 1.66   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  23.84 +/- 1.75   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  19.08 +/- 4.23   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  21.92 +/- 1.34   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  30.48 +/- 3.71   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  34.77 +/- 2.08   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  25.31 +/- 1.63   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  28.55 +/- 0.97   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.11 +/- 1.81   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.34 +/- 1.83   0.000% *  0.0111% (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 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 = 5.29, residual support = 110.5:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.03  99.968% * 97.8497% (1.00  10.0 10.00   5.29 110.48) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  23.17 +/- 3.45   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52   9.60 +/- 1.64   0.028% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  16.46 +/- 1.65   0.000% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  16.99 +/- 1.64   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  24.83 +/- 3.41   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  15.64 +/- 1.14   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.69 +/- 1.62   0.002% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  23.07 +/- 2.39   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.91 +/- 2.09   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 = 110.5:
    * O T QD    LYS+  81 - QB    LYS+  81   2.20 +/- 0.17  99.997% * 99.6151% (1.00  10.0 10.00   3.74 110.48) = 100.000%  kept
        T QD    LYS+  81 - HB3   PRO   52  16.80 +/- 1.50   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QB    LYS+  81  17.49 +/- 2.42   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.07 +/- 1.43   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.29 +/- 1.40   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  28.50 +/- 3.03   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.06 +/- 1.40   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  22.67 +/- 1.84   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 = 110.5:
    *     QE    LYS+  81 - QB    LYS+  81   2.76 +/- 0.43  99.874% * 99.8347% (1.00   3.74 110.48) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  11.97 +/- 2.79   0.064% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  11.00 +/- 1.23   0.056% *  0.0107% (0.02   0.02   1.42) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  16.19 +/- 1.93   0.006% *  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 = 5.26, residual support = 110.5:
    * O T HA    LYS+  81 - QG    LYS+  81   2.30 +/- 0.21  99.882% * 98.8267% (1.00  10.0 10.00   5.26 110.48) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.00 +/- 0.52   0.071% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.40 +/- 0.53   0.025% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  16.71 +/- 1.91   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.04 +/- 0.75   0.018% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  23.96 +/- 3.36   0.000% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  26.93 +/- 3.16   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  19.35 +/- 3.81   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  18.68 +/- 1.00   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  16.95 +/- 1.57   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.43 +/- 1.01   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  27.29 +/- 3.56   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  30.53 +/- 3.17   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.98 +/- 1.25   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  20.48 +/- 2.17   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  23.00 +/- 1.33   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  28.29 +/- 1.48   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.00 +/- 0.97   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  33.97 +/- 1.66   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  27.53 +/- 0.78   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  25.57 +/- 1.75   0.000% *  0.0073% (0.07   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.831, support = 5.36, residual support = 119.6:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  47.115% * 57.8388% (1.00  10.0 10.00   5.29 110.48) =  72.808%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.32 +/- 0.12  24.953% * 26.7248% (0.46  10.0 10.00   5.66 148.26) =  17.817%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  27.633% * 12.6979% (0.22  10.0 10.00   5.33 135.77) =   9.375%  kept
          HB3   GLN   30 - HG2   LYS+  33   5.91 +/- 0.85   0.127% *  0.0104% (0.18   1.0  1.00   0.02   0.27) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.21 +/- 0.74   0.088% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.36 +/- 0.55   0.069% *  0.0114% (0.20   1.0  1.00   0.02  22.95) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.50 +/- 1.31   0.008% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  19.26 +/- 2.09   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.64 +/- 1.15   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  19.00 +/- 1.28   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  22.36 +/- 2.41   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.46 +/- 1.65   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.35 +/- 2.93   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.66 +/- 2.46   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.14 +/- 1.27   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  24.83 +/- 3.41   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  23.17 +/- 3.45   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.50 +/- 1.58   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  16.99 +/- 1.64   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.82 +/- 0.92   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.85 +/- 2.17   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.66 +/- 0.76   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.30 +/- 1.32   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  20.50 +/- 2.81   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  21.74 +/- 1.57   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  25.88 +/- 2.98   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  26.00 +/- 2.03   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.78 +/- 1.44   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.95 +/- 1.28   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.97 +/- 0.98   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.45 +/- 1.51   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  16.46 +/- 1.16   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.04 +/- 1.23   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.51 +/- 1.25   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.91 +/- 2.09   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.89 +/- 1.50   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.59 +/- 1.42   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  30.98 +/- 2.43   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.77 +/- 1.63   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.74 +/- 1.66   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.88 +/- 3.28   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.23 +/- 0.98   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.81 +/- 1.70   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.24 +/- 1.54   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  27.69 +/- 1.67   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 = 4.12, residual support = 110.5:
    * O T QD    LYS+  81 - QG    LYS+  81   2.06 +/- 0.02  99.978% * 98.8994% (1.00  10.0 10.00   4.12 110.48) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.49 +/- 1.07   0.016% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.50 +/- 0.68   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  17.18 +/- 1.96   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.21 +/- 1.67   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.73 +/- 1.22   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  26.15 +/- 3.03   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  16.15 +/- 1.90   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  23.76 +/- 2.60   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.26 +/- 1.04   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  28.24 +/- 2.48   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.57 +/- 1.06   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 = 4.12, residual support = 110.5:
    * O   QE    LYS+  81 - QG    LYS+  81   2.12 +/- 0.11  99.947% * 99.9005% (1.00  10.0   4.12 110.48) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  10.31 +/- 2.80   0.053% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  26.16 +/- 2.93   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  23.20 +/- 2.49   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  24.80 +/- 0.98   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  31.49 +/- 1.44   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.5:
    *   T HA    LYS+  81 - QD    LYS+  81   3.23 +/- 0.75  99.982% * 99.7133% (1.00 10.00   3.44 110.48) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.34 +/- 2.06   0.011% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  20.56 +/- 3.80   0.005% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  31.80 +/- 3.17   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  23.78 +/- 1.26   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  34.93 +/- 1.30   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  28.68 +/- 0.80   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 110.5:
    * O T QB    LYS+  81 - QD    LYS+  81   2.20 +/- 0.17  99.902% * 98.9997% (1.00  10.0 10.00   3.74 110.48) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.46 +/- 1.85   0.092% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  16.80 +/- 1.50   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  16.88 +/- 2.89   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  14.16 +/- 2.40   0.003% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  20.02 +/- 1.88   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.19 +/- 1.73   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  23.57 +/- 2.47   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  21.84 +/- 2.84   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  26.81 +/- 2.76   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  26.93 +/- 1.87   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  30.77 +/- 1.16   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.70 +/- 1.71   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  32.22 +/- 2.31   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  30.19 +/- 1.30   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 110.5:
    * O T QG    LYS+  81 - QD    LYS+  81   2.06 +/- 0.02  99.999% * 98.1658% (1.00  10.0 10.00   4.12 110.48) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  23.76 +/- 2.60   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  26.15 +/- 3.03   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  15.73 +/- 0.98   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  22.82 +/- 2.01   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 = 110.5:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.940% * 99.9825% (1.00  10.0   3.00 110.48) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  10.33 +/- 3.18   0.060% *  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 = 110.5:
    *   T HA    LYS+  81 - QE    LYS+  81   3.35 +/- 0.63  99.981% * 99.7133% (1.00 10.00   3.44 110.48) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  16.96 +/- 2.56   0.010% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  20.51 +/- 3.49   0.007% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  31.76 +/- 2.99   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  23.25 +/- 1.51   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  34.55 +/- 1.89   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  28.48 +/- 1.60   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HB2   SER   82 - HA    SER   82   2.76 +/- 0.14  99.449% * 97.1708% (0.95  10.0 10.00   2.96  34.78) = 100.000%  kept
          HA    GLU-  29 - HA    GLU-  25   7.25 +/- 0.43   0.354% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.62 +/- 0.93   0.129% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  14.33 +/- 4.91   0.032% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.16 +/- 2.55   0.007% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  12.18 +/- 0.55   0.015% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.26 +/- 1.49   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  18.82 +/- 0.80   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  14.47 +/- 0.43   0.005% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.64 +/- 0.30   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  18.82 +/- 1.41   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  22.46 +/- 4.45   0.001% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.75 +/- 3.25   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  29.30 +/- 3.01   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  23.78 +/- 1.95   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  26.98 +/- 4.97   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  28.90 +/- 4.20   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  23.91 +/- 1.40   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  30.52 +/- 3.21   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  28.15 +/- 0.97   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.8:
    * O T HB3   SER   82 - HA    SER   82   2.92 +/- 0.13  99.814% * 98.8194% (1.00  10.0 10.00   2.00  34.78) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25  14.09 +/- 4.44   0.039% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.46 +/- 0.33   0.050% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.62 +/- 0.40   0.083% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  18.91 +/- 1.10   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  17.45 +/- 3.12   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  19.64 +/- 1.73   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.04 +/- 0.46   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.19 +/- 0.99   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  22.01 +/- 0.88   0.001% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  23.74 +/- 3.99   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  22.19 +/- 2.21   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  30.58 +/- 3.61   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  27.94 +/- 3.77   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  30.41 +/- 3.73   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  31.03 +/- 2.74   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  25.36 +/- 1.58   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.33 +/- 1.24   0.000% *  0.0099% (0.10   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HA    SER   82 - HB2   SER   82   2.76 +/- 0.14  99.758% * 97.8439% (0.95  10.0 10.00   2.96  34.78) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  14.33 +/- 4.91   0.032% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.16 +/- 2.55   0.007% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   8.94 +/- 1.33   0.152% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  10.53 +/- 0.37   0.034% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.26 +/- 1.49   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  18.82 +/- 0.80   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.31 +/- 0.45   0.008% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  29.30 +/- 3.01   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.71 +/- 1.22   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  21.25 +/- 2.36   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  18.61 +/- 2.16   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.42 +/- 2.00   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.79 +/- 0.99   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.64 +/- 2.19   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 = 34.8:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.233% * 96.7159% (0.95  10.0 10.00   2.33  34.78) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   4.96 +/- 1.15   0.605% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   7.69 +/- 1.12   0.025% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.66 +/- 0.58   0.007% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   6.59 +/- 1.47   0.121% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.72 +/- 1.61   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  15.48 +/- 2.12   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  11.69 +/- 2.27   0.004% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  11.85 +/- 0.53   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.40 +/- 1.97   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.66 +/- 0.81   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  27.62 +/- 3.44   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  22.05 +/- 4.47   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.49 +/- 1.05   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.63 +/- 1.06   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.00 +/- 1.51   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.69 +/- 1.50   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  29.15 +/- 4.09   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.41 +/- 1.91   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  28.86 +/- 4.22   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.91 +/- 1.10   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  29.34 +/- 2.99   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  27.84 +/- 4.34   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  27.32 +/- 1.02   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  26.40 +/- 2.11   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.49 +/- 0.81   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.74 +/- 1.08   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 = 34.8:
    * O T HA    SER   82 - HB3   SER   82   2.92 +/- 0.13  99.958% * 99.1601% (1.00  10.0 10.00   2.00  34.78) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  14.09 +/- 4.44   0.039% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  20.18 +/- 2.35   0.002% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  21.25 +/- 2.24   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.45 +/- 2.34   0.000% *  0.0276% (0.28   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 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.8:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  34.78) = 100.000%  kept
        T HA    SER   48 - HB3   SER   82  15.48 +/- 2.12   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82  10.22 +/- 0.93   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  19.30 +/- 2.04   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  20.51 +/- 4.53   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  27.62 +/- 3.44   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  22.29 +/- 2.30   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  25.03 +/- 5.15   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  26.89 +/- 4.35   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.89 +/- 4.06   0.000% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.1:
    * O T HB    VAL   83 - HA    VAL   83   2.93 +/- 0.19  99.985% * 96.5761% (0.90  10.0 10.00   3.97  87.12) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  16.21 +/- 1.71   0.005% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.19 +/- 1.42   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  25.31 +/- 1.29   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  28.51 +/- 3.64   0.000% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.54 +/- 2.45   0.005% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.32 +/- 5.66   0.001% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  28.58 +/- 4.24   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  22.13 +/- 3.09   0.001% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  25.65 +/- 4.17   0.000% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  32.10 +/- 3.83   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  33.11 +/- 3.84   0.000% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 87.1:
    * O T QG1   VAL   83 - HA    VAL   83   2.30 +/- 0.23  98.702% * 99.5865% (0.87  10.0 10.00   4.23  87.12) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   6.41 +/- 1.14   0.369% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    VAL   83   5.76 +/- 1.25   0.925% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  13.81 +/- 1.99   0.003% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  21.03 +/- 3.08   0.001% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  18.97 +/- 2.38   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  23.92 +/- 3.14   0.000% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 87.1:
    * O T QG2   VAL   83 - HA    VAL   83   2.63 +/- 0.17  98.696% * 99.8380% (1.00  10.0 10.00   4.48  87.12) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   5.96 +/- 1.01   1.298% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83  15.85 +/- 3.01   0.005% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.1:
    * O T HA    VAL   83 - HB    VAL   83   2.93 +/- 0.19  99.992% * 97.8171% (0.90  10.0 10.00   3.97  87.12) = 100.000%  kept
        T HD2   PRO   58 - HB    VAL   83  21.57 +/- 1.53   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  15.14 +/- 1.45   0.007% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB    VAL   83  26.32 +/- 3.02   0.000% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  27.80 +/- 3.24   0.000% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 4.28, residual support = 87.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  94.573% * 99.5865% (0.78  10.0 10.00   4.28  87.12) =  99.996%  kept
          QD2   LEU   80 - HB    VAL   83   4.79 +/- 1.30   3.223% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE   89 - HB    VAL   83   4.94 +/- 1.46   2.200% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  12.60 +/- 1.80   0.003% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.59 +/- 2.70   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  17.44 +/- 2.05   0.000% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  23.00 +/- 2.73   0.000% *  0.1108% (0.87   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 = 4.54, residual support = 87.1:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.01  99.752% * 99.8380% (0.90  10.0 10.00   4.54  87.12) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.13 +/- 0.91   0.246% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83  15.06 +/- 2.87   0.002% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 87.1:
    * O T HA    VAL   83 - QG1   VAL   83   2.30 +/- 0.23  99.994% * 99.7372% (0.87  10.0 10.00   4.23  87.12) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  14.00 +/- 1.55   0.005% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  19.09 +/- 1.71   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  21.49 +/- 2.96   0.000% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  22.69 +/- 3.09   0.000% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.28, residual support = 87.1:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.988% * 99.3915% (0.78  10.0 10.00   4.28  87.12) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  12.18 +/- 1.46   0.004% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.57 +/- 2.47   0.005% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.51 +/- 1.19   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.26 +/- 5.12   0.001% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.87 +/- 0.96   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  22.96 +/- 3.83   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  17.00 +/- 2.65   0.001% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  20.65 +/- 3.73   0.000% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  22.61 +/- 2.98   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  25.75 +/- 3.29   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  26.55 +/- 3.23   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 = 4.83, residual support = 87.1:
    * O T QG2   VAL   83 - QG1   VAL   83   2.07 +/- 0.04  99.221% * 99.0399% (0.87  10.0 10.00   4.83  87.12) =  99.993%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.55 +/- 1.19   0.773% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   31 - QG1   VAL   83  12.12 +/- 2.59   0.005% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 87.1:
    * O T HA    VAL   83 - QG2   VAL   83   2.63 +/- 0.17  99.986% * 99.7372% (1.00  10.0 10.00   4.48  87.12) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.39 +/- 1.19   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  17.69 +/- 1.28   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  21.33 +/- 2.59   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  22.62 +/- 2.91   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.54, residual support = 87.1:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.01  99.983% * 99.3915% (0.90  10.0 10.00   4.54  87.12) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  11.31 +/- 1.64   0.007% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.95 +/- 1.93   0.005% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.37 +/- 0.91   0.002% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.72 +/- 4.63   0.001% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  19.09 +/- 0.92   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  21.96 +/- 3.17   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  17.26 +/- 2.65   0.001% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  20.37 +/- 3.02   0.000% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  22.52 +/- 2.91   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  24.69 +/- 2.86   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  25.50 +/- 2.87   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 = 0.842, support = 4.65, residual support = 83.5:
    * O T QG1   VAL   83 - QG2   VAL   83   2.07 +/- 0.04  57.681% * 91.3458% (0.87  10.0 10.00   4.83  87.12) =  95.870%  kept
        T QG2   ILE   89 - QG2   VAL   83   3.44 +/- 1.42  27.778% *  7.9365% (0.25   1.0 10.00   0.60   0.02) =   4.011%  kept
          QD2   LEU   80 - QG2   VAL   83   4.59 +/- 1.77  14.532% *  0.4489% (0.80   1.0  1.00   0.11   0.02) =   0.119%
          QD1   LEU   73 - QG2   VAL   83  10.12 +/- 1.91   0.008% *  0.0433% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  14.07 +/- 1.84   0.001% *  0.0433% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.82 +/- 2.44   0.000% *  0.0805% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  18.55 +/- 2.34   0.000% *  0.1016% (0.97   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 = 3.06, residual support = 18.9:
    * O T QB    ALA   84 - HA    ALA   84   2.13 +/- 0.01  99.409% * 99.1332% (0.93  10.0 10.00   3.06  18.90) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   6.33 +/- 1.31   0.587% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  14.40 +/- 1.03   0.001% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  15.61 +/- 1.73   0.001% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  16.47 +/- 2.23   0.001% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  21.87 +/- 2.50   0.000% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.52 +/- 2.96   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  22.24 +/- 1.47   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  22.46 +/- 3.46   0.000% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  21.89 +/- 2.55   0.000% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  23.49 +/- 2.54   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  21.33 +/- 1.95   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  28.94 +/- 1.87   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  26.69 +/- 1.85   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  29.60 +/- 2.32   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  29.64 +/- 2.36   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  32.07 +/- 3.22   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 3.06, residual support = 18.9:
    * O T HA    ALA   84 - QB    ALA   84   2.13 +/- 0.01  99.981% * 99.6067% (0.93  10.0 10.00   3.06  18.90) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  10.13 +/- 1.82   0.018% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  15.11 +/- 1.63   0.001% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  22.34 +/- 1.32   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  22.84 +/- 1.46   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.2:
    * O T QB    SER   85 - HA    SER   85   2.43 +/- 0.10  79.826% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.993%  kept
          HA    ALA   88 - HA    SER   85   3.61 +/- 1.21  20.137% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.007%
        T QB    SER   48 - HA    SER   85  12.32 +/- 3.37   0.029% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.13 +/- 1.26   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  19.65 +/- 1.27   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  15.83 +/- 2.35   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.08 +/- 3.16   0.004% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  26.73 +/- 2.36   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  31.20 +/- 1.68   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  32.77 +/- 1.82   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  29.08 +/- 4.09   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  33.95 +/- 2.35   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  33.93 +/- 2.97   0.000% *  0.0403% (0.41   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 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.2:
    * O T HA    SER   85 - QB    SER   85   2.43 +/- 0.10  90.961% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.997%  kept
          HA    ASP-  86 - QB    SER   85   4.03 +/- 0.20   5.001% *  0.0361% (0.38   1.0  1.00   0.02  13.44) =   0.002%
          HB    THR   77 - QB    SER   48   5.82 +/- 2.05   3.627% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   85 - QB    SER   48  12.32 +/- 3.37   0.042% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.47 +/- 0.83   0.060% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   9.78 +/- 1.76   0.036% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.28 +/- 1.94   0.203% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.59 +/- 0.46   0.014% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  12.99 +/- 1.08   0.005% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.10 +/- 1.31   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  24.88 +/- 3.67   0.000% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.18 +/- 2.08   0.030% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.60 +/- 0.81   0.005% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  17.58 +/- 2.44   0.001% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.56 +/- 0.97   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.41 +/- 1.13   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.73 +/- 1.14   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  14.73 +/- 2.57   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  23.34 +/- 0.62   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  29.60 +/- 3.06   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  26.73 +/- 2.36   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.13 +/- 1.32   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.27 +/- 0.52   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.10 +/- 1.28   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.78 +/- 1.90   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.17 +/- 2.35   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  36.52 +/- 3.49   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  30.27 +/- 2.06   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.75 +/- 1.47   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  30.44 +/- 2.53   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  26.77 +/- 3.92   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.65 +/- 2.75   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  34.22 +/- 2.86   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.94 +/- 1.01   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.66 +/- 1.33   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.91 +/- 1.17   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   2.76 +/- 0.20  99.992% * 99.6568% (1.00  10.0 10.00   3.50  41.93) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  19.10 +/- 4.28   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.63 +/- 0.88   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  25.44 +/- 3.70   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  28.92 +/- 4.82   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  28.61 +/- 2.25   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   2.86 +/- 0.23  99.977% * 98.9853% (1.00  10.0 10.00   2.00  41.93) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  14.35 +/- 2.33   0.018% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  29.70 +/- 2.43   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  22.40 +/- 4.51   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  21.11 +/- 4.07   0.002% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.77 +/- 3.43   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  23.29 +/- 3.87   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  33.02 +/- 4.49   0.000% *  0.0173% (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 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   2.76 +/- 0.20  98.757% * 99.5343% (1.00  10.0 10.00   3.50  41.93) = 100.000%  kept
          HA    SER   85 - HB2   ASP-  86   6.12 +/- 0.41   1.107% *  0.0374% (0.38   1.0  1.00   0.02  13.44) =   0.000%
          HB    THR   77 - HB2   ASP-  86  10.57 +/- 2.11   0.131% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  16.71 +/- 2.93   0.004% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  27.22 +/- 4.06   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  23.78 +/- 3.85   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  31.56 +/- 3.40   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  36.00 +/- 4.41   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  38.59 +/- 4.95   0.000% *  0.0484% (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 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  99.997% * 99.6638% (1.00  10.0 10.00   2.87  41.93) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  12.41 +/- 2.47   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  20.77 +/- 4.46   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  19.17 +/- 3.90   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  23.29 +/- 3.50   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  21.30 +/- 3.95   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  27.57 +/- 2.61   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  31.05 +/- 4.46   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   2.86 +/- 0.23  97.490% * 99.5343% (1.00  10.0 10.00   2.00  41.93) =  99.999%  kept
          HA    SER   85 - HB3   ASP-  86   5.69 +/- 0.25   1.838% *  0.0374% (0.38   1.0  1.00   0.02  13.44) =   0.001%
          HB    THR   77 - HB3   ASP-  86  10.09 +/- 1.79   0.667% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  16.83 +/- 2.44   0.004% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  27.70 +/- 3.79   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  24.28 +/- 3.56   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  31.45 +/- 2.87   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  35.85 +/- 4.04   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  38.44 +/- 4.66   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  99.999% * 99.6568% (1.00  10.0 10.00   2.87  41.93) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  17.75 +/- 4.04   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  12.83 +/- 1.26   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  23.88 +/- 3.57   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  27.52 +/- 4.33   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  26.54 +/- 1.92   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.23 +/- 0.06 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.39) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  22.51 +/- 2.05   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.90 +/- 0.04  99.968% * 99.8563% (1.00  10.0 10.00   4.31  74.39) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.52 +/- 5.41   0.032% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  29.37 +/- 3.16   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 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.23 +/- 0.06 100.000% * 99.8808% (1.00  10.0 10.00   4.31  74.39) = 100.000%  kept
          HA    PHE   59 - HB2   TRP   87  25.49 +/- 2.61   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   TRP   87  26.48 +/- 3.47   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  33.55 +/- 4.74   0.000% *  0.0135% (0.14   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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.995% * 99.8563% (1.00  10.0 10.00   4.00  74.39) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.15 +/- 6.15   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  28.16 +/- 3.54   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.90 +/- 0.04  99.999% * 99.3033% (1.00  10.0 10.00   4.31  74.39) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  24.06 +/- 2.41   0.000% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  25.79 +/- 2.98   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  32.40 +/- 4.21   0.000% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.39) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  20.08 +/- 2.34   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 = 2.18, residual support = 11.6:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.02  99.956% * 99.6403% (1.00  10.0 10.00   2.18  11.59) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   8.74 +/- 1.53   0.034% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.37 +/- 1.18   0.010% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  20.95 +/- 2.58   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  25.12 +/- 3.50   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  24.98 +/- 1.22   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  32.01 +/- 2.20   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  34.77 +/- 3.21   0.000% *  0.0832% (0.84   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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.18, residual support = 11.6:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.02  99.722% * 97.3461% (1.00  10.0 10.00   2.18  11.59) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   6.03 +/- 0.84   0.265% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  12.79 +/- 1.84   0.004% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.87 +/- 0.74   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  12.87 +/- 1.20   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  22.12 +/- 3.17   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  25.09 +/- 3.20   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  21.76 +/- 1.66   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  26.03 +/- 1.18   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  27.01 +/- 2.97   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.71 +/- 1.43   0.000% *  0.0271% (0.28   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 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 = 213.9:
    * O T HB    ILE   89 - HA    ILE   89   2.98 +/- 0.13  99.888% * 99.6008% (0.80  10.0 10.00   5.44 213.91) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  14.74 +/- 2.44   0.013% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.23 +/- 1.16   0.090% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  14.41 +/- 1.25   0.009% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  26.79 +/- 2.08   0.000% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  26.81 +/- 2.20   0.000% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 213.9:
    * O T QG2   ILE   89 - HA    ILE   89   2.40 +/- 0.18  99.827% * 99.9320% (1.00  10.0 10.00   6.38 213.91) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   7.57 +/- 1.20   0.172% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  22.62 +/- 1.79   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 213.9:
    * O T HG12  ILE   89 - HA    ILE   89   3.06 +/- 0.29  99.978% * 99.3078% (1.00  10.0 10.00   5.48 213.91) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  17.26 +/- 3.42   0.007% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  14.88 +/- 1.85   0.011% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  28.38 +/- 2.51   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  21.06 +/- 3.05   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  24.95 +/- 3.12   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  23.75 +/- 2.47   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  23.71 +/- 2.43   0.001% *  0.0248% (0.25   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 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 213.9:
    * O T HA    ILE   89 - HB    ILE   89   2.98 +/- 0.13  99.673% * 99.2091% (0.80  10.0 10.00   5.44 213.91) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89   8.56 +/- 0.89   0.227% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43  14.74 +/- 2.44   0.013% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.47 +/- 0.86   0.020% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.45 +/- 2.08   0.017% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  14.35 +/- 0.96   0.009% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  17.46 +/- 4.32   0.011% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.48 +/- 0.99   0.006% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.71 +/- 0.97   0.019% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  21.77 +/- 2.26   0.001% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.94 +/- 1.35   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  27.97 +/- 2.47   0.000% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  28.50 +/- 2.71   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  29.60 +/- 2.72   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  22.95 +/- 2.97   0.001% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.14 +/- 1.26   0.002% *  0.0043% (0.03   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 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 = 5.85, residual support = 213.9:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  99.205% * 99.5317% (0.80  10.0 10.00   5.85 213.91) = 100.000%  kept
          QG1   VAL   83 - HB    ILE   89   5.66 +/- 1.28   0.774% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43  10.87 +/- 1.77   0.009% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  11.33 +/- 0.61   0.004% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43  12.09 +/- 2.82   0.008% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  22.80 +/- 1.84   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.11, residual support = 213.9:
    * O T HG12  ILE   89 - HB    ILE   89   2.48 +/- 0.15  99.899% * 98.9436% (0.80  10.0 10.00   5.11 213.91) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43  14.88 +/- 2.76   0.005% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.28 +/- 0.59   0.042% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  14.08 +/- 0.68   0.003% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  14.08 +/- 2.14   0.005% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.47 +/- 1.22   0.024% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  18.64 +/- 3.64   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  11.72 +/- 1.13   0.011% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.27 +/- 1.95   0.002% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.66 +/- 0.74   0.006% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  21.98 +/- 2.99   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  28.31 +/- 2.44   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  24.18 +/- 2.97   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  23.05 +/- 2.20   0.000% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  22.72 +/- 2.44   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.33 +/- 1.89   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 213.9:
    * O T HA    ILE   89 - QG2   ILE   89   2.40 +/- 0.18  99.859% * 99.5272% (1.00  10.0 10.00   6.38 213.91) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   8.30 +/- 1.09   0.099% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.06 +/- 1.79   0.040% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  16.54 +/- 1.88   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  22.14 +/- 2.06   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  22.73 +/- 2.25   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  23.72 +/- 2.13   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  18.38 +/- 2.35   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 = 5.85, residual support = 213.9:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  99.942% * 99.0138% (0.80  10.0 10.00   5.85 213.91) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89  10.87 +/- 1.77   0.009% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   8.08 +/- 0.88   0.043% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.01 +/- 1.27   0.006% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  21.05 +/- 1.67   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  21.07 +/- 1.81   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.92, residual support = 213.9:
    * O T HG12  ILE   89 - QG2   ILE   89   3.19 +/- 0.15  99.765% * 99.3078% (1.00  10.0 10.00   5.92 213.91) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89  10.48 +/- 1.88   0.167% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  14.09 +/- 2.92   0.035% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  16.80 +/- 2.43   0.020% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  22.29 +/- 2.00   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  19.03 +/- 2.54   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  18.04 +/- 1.96   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  17.84 +/- 2.15   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 213.9:
    * O T HA    ILE   89 - HG12  ILE   89   3.06 +/- 0.29  98.727% * 98.5945% (1.00  10.0 10.00   5.48 213.91) =  99.996%  kept
        T HB    THR   39 - HG3   LYS+  99   8.01 +/- 1.34   0.868% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG12  ILE   89   9.14 +/- 0.83   0.275% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  10.20 +/- 1.19   0.096% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  14.99 +/- 0.99   0.009% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.83 +/- 2.15   0.013% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  22.07 +/- 2.86   0.001% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  28.38 +/- 2.51   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.39 +/- 1.87   0.002% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.29 +/- 1.40   0.008% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  28.28 +/- 3.32   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  28.76 +/- 3.52   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  23.23 +/- 3.85   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  30.46 +/- 3.39   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  30.53 +/- 4.68   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.73 +/- 1.45   0.000% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.703, support = 5.19, residual support = 207.9:
    * O T HB    ILE   89 - HG12  ILE   89   2.48 +/- 0.15  41.191% * 78.0851% (0.80  10.0 10.00   5.11 213.91) =  85.806%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.87 +/- 0.25  19.826% * 14.8429% (0.15  10.0  1.00   5.01 171.45) =   7.850%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.54 +/- 0.24  38.967% *  6.1021% (0.06  10.0 10.00   6.44 171.45) =   6.344%  kept
        T HB    VAL   43 - HG12  ILE   89  14.88 +/- 2.76   0.002% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.07 +/- 1.18   0.012% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  14.08 +/- 0.68   0.001% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.28 +/- 1.01   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.75 +/- 1.86   0.001% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  28.31 +/- 2.44   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  26.85 +/- 2.89   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  26.82 +/- 2.78   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  30.44 +/- 2.08   0.000% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.92, residual support = 213.9:
    * O T QG2   ILE   89 - HG12  ILE   89   3.19 +/- 0.15  63.699% * 99.5013% (1.00  10.0 10.00   5.92 213.91) =  99.995%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.65 +/- 0.69  34.315% *  0.0062% (0.06   1.0  1.00   0.02  17.08) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   5.93 +/- 0.77   1.984% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE   89 - HG3   LYS+  99  22.29 +/- 2.00   0.001% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  22.89 +/- 3.15   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  22.82 +/- 2.35   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 95.2:
    * O T HB2   GLN   90 - HA    GLN   90   2.65 +/- 0.31  99.947% * 98.5005% (0.78  10.0 10.00   3.96  95.16) =  99.999%  kept
        T HB3   GLU-  79 - HA    GLN   90  10.42 +/- 1.64   0.053% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   90  24.97 +/- 1.71   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  24.24 +/- 1.66   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  29.33 +/- 1.51   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  33.17 +/- 1.80   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.2:
    * O T HB3   GLN   90 - HA    GLN   90   2.75 +/- 0.26  99.646% * 99.0333% (0.82  10.0 10.00   3.96  95.16) = 100.000%  kept
          HB2   MET   92 - HA    GLN   90   7.71 +/- 0.66   0.227% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   90   8.94 +/- 1.20   0.110% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.96 +/- 1.74   0.006% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  14.65 +/- 1.16   0.006% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  16.53 +/- 0.86   0.003% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  22.67 +/- 1.58   0.000% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  23.78 +/- 1.01   0.000% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  25.19 +/- 1.36   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.62 +/- 0.90   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  24.39 +/- 1.01   0.000% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  32.72 +/- 1.62   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  30.96 +/- 1.21   0.000% *  0.0624% (0.52   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.2:
    * O T QG    GLN   90 - HA    GLN   90   2.67 +/- 0.35  99.666% * 99.3855% (0.88  10.0 10.00   3.59  95.16) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   7.62 +/- 1.13   0.326% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.68 +/- 1.18   0.005% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.60 +/- 1.12   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.83 +/- 0.91   0.000% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.48 +/- 1.73   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.67 +/- 1.11   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.62 +/- 1.57   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  34.78 +/- 1.81   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.2:
    * O T HA    GLN   90 - HB2   GLN   90   2.65 +/- 0.31  99.934% * 98.8405% (0.78  10.0 10.00   3.96  95.16) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  10.42 +/- 1.64   0.052% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.18 +/- 1.45   0.005% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.26 +/- 1.56   0.003% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.70 +/- 1.89   0.002% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  19.37 +/- 2.47   0.001% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.34 +/- 0.80   0.001% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  21.51 +/- 0.68   0.000% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.10 +/- 0.77   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.42 +/- 2.01   0.001% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 95.2:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.960% * 96.7995% (0.67  10.0 10.00   3.99  95.16) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   7.34 +/- 0.61   0.021% *  0.0752% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  12.31 +/- 1.89   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.33 +/- 0.90   0.011% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   90  10.09 +/- 1.13   0.004% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.22 +/- 3.24   0.001% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.33 +/- 1.47   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  14.66 +/- 1.43   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.56 +/- 2.54   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  17.48 +/- 0.60   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  16.69 +/- 2.10   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  18.24 +/- 2.14   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  17.92 +/- 1.34   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  19.32 +/- 2.12   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  34.48 +/- 1.34   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  24.70 +/- 1.38   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  24.79 +/- 1.08   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.05 +/- 1.02   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  24.74 +/- 2.23   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  24.72 +/- 2.68   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  27.00 +/- 1.17   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.99 +/- 0.83   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  25.70 +/- 0.97   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  28.63 +/- 2.07   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.95 +/- 1.47   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  32.34 +/- 1.00   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.2:
    * O T QG    GLN   90 - HB2   GLN   90   2.33 +/- 0.09  99.831% * 96.7466% (0.72  10.0 10.00   3.92  95.16) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  10.69 +/- 1.34   0.017% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   7.94 +/- 1.66   0.139% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.52 +/- 1.31   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  16.39 +/- 2.39   0.001% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.34 +/- 1.39   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.24 +/- 0.68   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  14.84 +/- 2.61   0.003% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.76 +/- 2.40   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  27.64 +/- 3.17   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.27 +/- 0.78   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  21.27 +/- 1.86   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  25.77 +/- 1.52   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.59 +/- 1.30   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  36.30 +/- 1.48   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.90 +/- 1.36   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.98 +/- 1.42   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  28.13 +/- 0.97   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 0.01 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.2:
    * O T HA    GLN   90 - HB3   GLN   90   2.75 +/- 0.26  99.993% * 99.7400% (0.82  10.0 10.00   3.96  95.16) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  15.54 +/- 1.62   0.004% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.74 +/- 1.64   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  21.28 +/- 0.79   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  19.18 +/- 0.52   0.001% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.2:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  95.16) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  12.31 +/- 1.89   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  26.62 +/- 1.87   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.84 +/- 1.81   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  30.74 +/- 1.47   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  34.65 +/- 1.63   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 95.2:
    * O T QG    GLN   90 - HB3   GLN   90   2.43 +/- 0.07  99.843% * 99.3855% (0.75  10.0 10.00   3.92  95.16) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   8.26 +/- 1.64   0.156% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.17 +/- 0.69   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.11 +/- 0.92   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.72 +/- 1.00   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.85 +/- 1.55   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.98 +/- 1.15   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  25.28 +/- 1.67   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  36.06 +/- 1.60   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 = 3.59, residual support = 95.2:
    * O T HA    GLN   90 - QG    GLN   90   2.67 +/- 0.35  99.988% * 99.7400% (0.88  10.0 10.00   3.59  95.16) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  14.80 +/- 1.42   0.006% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.87 +/- 1.50   0.003% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  19.56 +/- 1.33   0.001% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  17.97 +/- 0.63   0.001% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.2:
    * O T HB2   GLN   90 - QG    GLN   90   2.33 +/- 0.09  99.983% * 97.8434% (0.72  10.0 10.00   3.92  95.16) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  10.69 +/- 1.34   0.017% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  22.87 +/- 2.27   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  23.65 +/- 2.36   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  27.56 +/- 1.94   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  31.27 +/- 2.11   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 95.2:
    * O T HB3   GLN   90 - QG    GLN   90   2.43 +/- 0.07  99.822% * 98.5216% (0.75  10.0 10.00   3.92  95.16) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   8.47 +/- 0.95   0.079% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG    GLN   90   8.22 +/- 1.18   0.092% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  15.02 +/- 1.59   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  14.47 +/- 1.11   0.003% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  16.10 +/- 0.81   0.001% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  21.85 +/- 2.05   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  22.83 +/- 0.99   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  23.93 +/- 1.83   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.96 +/- 1.23   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  23.16 +/- 1.21   0.000% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  30.86 +/- 1.94   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  29.50 +/- 1.25   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.29, residual support = 14.5:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  99.979% * 98.3255% (1.00  10.0 10.00   2.29  14.53) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.72 +/- 1.23   0.016% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  13.47 +/- 1.68   0.002% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.08 +/- 2.26   0.003% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.95 +/- 1.32   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.38 +/- 0.89   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.54 +/- 1.63   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.87 +/- 1.28   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.93 +/- 0.66   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.34 +/- 1.47   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.29, residual support = 14.5:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  99.741% * 99.0540% (1.00  10.0 10.00   2.29  14.53) = 100.000%  kept
          HA    PRO   52 - QB    ALA   91   8.90 +/- 2.45   0.107% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.79 +/- 0.68   0.115% *  0.0096% (0.10   1.0  1.00   0.02   0.51) =   0.000%
          HA    TRP   27 - QG2   THR   39   9.46 +/- 1.25   0.018% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.40 +/- 0.91   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91   9.96 +/- 1.20   0.013% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  13.47 +/- 1.68   0.002% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  15.73 +/- 1.43   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.95 +/- 1.32   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.62 +/- 0.52   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  18.72 +/- 1.06   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.09 +/- 1.52   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.34 +/- 1.06   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  19.34 +/- 1.19   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  18.86 +/- 1.46   0.000% *  0.0021% (0.02   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 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 = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.96 +/- 0.06 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.29) = 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 = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.98 +/- 0.13  64.643% * 99.2584% (0.73  10.0 10.00   5.40 132.29) =  99.982%  kept
          HG3   PRO   52 - HD2   PRO   93   5.35 +/- 2.06  34.013% *  0.0306% (0.22   1.0  1.00   0.02   0.44) =   0.016%
          HB    VAL  108 - HD2   PRO   93   8.25 +/- 1.03   1.089% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  11.05 +/- 1.36   0.169% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.94 +/- 1.32   0.061% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.48 +/- 0.90   0.021% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.73 +/- 0.60   0.001% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.93 +/- 0.83   0.002% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.92 +/- 0.43   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.78 +/- 1.58   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  37.51 +/- 1.65   0.000% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.45 +/- 0.25  94.485% * 99.4388% (0.73  10.0 10.00   4.00 132.29) =  99.998%  kept
          HB3   PRO   52 - HD2   PRO   93   5.06 +/- 1.63   5.511% *  0.0307% (0.22   1.0  1.00   0.02   0.44) =   0.002%
          QB    LYS+  66 - HD2   PRO   93  18.25 +/- 1.20   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.88 +/- 0.83   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.30 +/- 0.71   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.11 +/- 0.52   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.33 +/- 0.48   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.48 +/- 0.74   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.34 +/- 1.27   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.53 +/- 1.00   0.000% *  0.0276% (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 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 = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.871% * 98.6805% (0.65  10.0 10.00   4.00 132.29) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.34 +/- 1.83   0.104% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.74 +/- 1.11   0.022% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.69 +/- 1.10   0.002% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.82 +/- 1.31   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  23.73 +/- 0.97   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 = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.81 +/- 0.06  99.996% * 99.8223% (0.90  10.0 10.00   5.31 132.29) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.80 +/- 0.92   0.004% *  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 = 0.887, support = 5.34, residual support = 130.3:
    * O T HB2   PRO   93 - HD3   PRO   93   3.69 +/- 0.25  55.658% * 95.4815% (0.90  10.0 10.00   5.40 132.29) =  98.486%  kept
          HG3   PRO   52 - HD3   PRO   93   4.45 +/- 2.00  43.751% *  1.8636% (0.28   1.0  1.00   1.26   0.44) =   1.511%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.18 +/- 1.21   0.150% *  0.8282% (0.78   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   PRO   93   9.48 +/- 0.81   0.273% *  0.0765% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  13.59 +/- 1.40   0.031% *  0.0638% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.80 +/- 0.97   0.037% *  0.0295% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  16.02 +/- 1.08   0.014% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  20.50 +/- 0.94   0.002% *  0.1699% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  13.54 +/- 1.48   0.038% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.13 +/- 1.65   0.007% *  0.0472% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  19.85 +/- 3.04   0.005% *  0.0699% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.68 +/- 0.69   0.001% *  0.2655% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.19 +/- 0.94   0.001% *  0.1474% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.43 +/- 1.53   0.000% *  0.3584% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  16.30 +/- 1.55   0.011% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.97 +/- 0.87   0.001% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.00 +/- 1.40   0.007% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.80 +/- 0.82   0.008% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  37.14 +/- 1.69   0.000% *  0.3925% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.77 +/- 1.11   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.55 +/- 0.45   0.000% *  0.0465% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.64 +/- 1.55   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 3.95, residual support = 130.2:
    * O T HG2   PRO   93 - HD3   PRO   93   2.76 +/- 0.26  81.522% * 90.4654% (0.90  10.0 10.00   4.00 132.29) =  98.421%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.57 +/- 1.43  13.507% *  8.7554% (0.28   1.0 10.00   0.63   0.44) =   1.578%  kept
          QB    LYS+  66 - HD3   PRO   68   4.83 +/- 0.44   4.121% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.08 +/- 1.16   0.555% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.29 +/- 2.40   0.227% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.93 +/- 0.96   0.029% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.17 +/- 1.12   0.025% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.73 +/- 0.71   0.001% *  0.0756% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.38 +/- 1.12   0.001% *  0.0811% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.12 +/- 1.15   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  22.10 +/- 1.09   0.000% *  0.1610% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.53 +/- 0.56   0.001% *  0.0657% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  19.16 +/- 0.66   0.001% *  0.0512% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.08 +/- 1.31   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.64 +/- 0.76   0.000% *  0.0724% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  22.11 +/- 0.47   0.000% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.78 +/- 1.36   0.001% *  0.0279% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.42 +/- 1.26   0.001% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.21 +/- 1.33   0.000% *  0.0497% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.09 +/- 0.89   0.000% *  0.0252% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.996% * 99.5607% (0.65  10.0 10.00   4.00 132.29) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  10.04 +/- 1.40   0.004% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.19 +/- 0.67   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  23.73 +/- 0.97   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  19.73 +/- 1.28   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.02 +/- 1.03   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.41 +/- 0.19  99.554% * 99.2584% (1.00  10.0 10.00   5.98 132.29) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.29 +/- 1.88   0.341% *  0.0306% (0.31   1.0  1.00   0.02   0.44) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.39 +/- 1.12   0.081% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.25 +/- 0.85   0.012% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.19 +/- 0.82   0.008% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.42 +/- 1.16   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  20.15 +/- 0.78   0.000% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.43 +/- 0.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.13 +/- 0.42   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.22 +/- 1.34   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.94 +/- 1.60   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 = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  92.833% * 99.4388% (1.00  10.0 10.00   5.31 132.29) =  99.998%  kept
          HB3   PRO   52 - HA    PRO   93   6.97 +/- 1.42   7.041% *  0.0307% (0.31   1.0  1.00   0.02   0.44) =   0.002%
          QB    LYS+  65 - HA    PRO   93  15.56 +/- 0.67   0.026% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   93  16.02 +/- 1.17   0.023% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  15.95 +/- 0.56   0.022% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  16.27 +/- 0.66   0.020% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.98 +/- 0.81   0.011% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.46 +/- 0.28   0.007% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  18.72 +/- 1.55   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.16 +/- 0.77   0.008% *  0.0276% (0.28   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 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HD2   PRO   93 - HA    PRO   93   3.96 +/- 0.06  98.876% * 99.7770% (0.73  10.0 10.00   5.31 132.29) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   8.91 +/- 1.15   1.088% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  14.90 +/- 0.75   0.036% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.81 +/- 0.06  84.817% * 98.6805% (0.90  10.0 10.00   5.31 132.29) =  99.981%  kept
          HB3   CYS   53 - HA    PRO   93   5.56 +/- 1.06  13.407% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.017%
          QB    PHE   55 - HA    PRO   93   8.54 +/- 1.08   1.220% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93   9.17 +/- 0.81   0.491% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  12.99 +/- 0.88   0.062% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.80 +/- 0.92   0.003% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 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 = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.75 +/- 0.29  96.111% * 99.0260% (1.00  10.0 10.00   5.40 132.29) =  99.991%  kept
        T HB3   PRO   52 - HB2   PRO   93   5.94 +/- 1.28   2.661% *  0.3056% (0.31   1.0 10.00   0.02   0.44) =   0.009%
          HB2   LEU   71 - HG3   GLN   30   7.11 +/- 1.35   1.113% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.39 +/- 0.87   0.080% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.86 +/- 0.77   0.005% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  15.44 +/- 1.15   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.91 +/- 0.95   0.008% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.05 +/- 0.63   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.76 +/- 0.88   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  17.40 +/- 0.87   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.21 +/- 0.77   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.82 +/- 1.75   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.10 +/- 1.28   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  23.53 +/- 0.96   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.33 +/- 1.22   0.003% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.47 +/- 1.10   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  17.49 +/- 1.08   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.47 +/- 0.87   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  23.99 +/- 2.50   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.28 +/- 1.67   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.98 +/- 0.13  95.722% * 99.6822% (0.73  10.0 10.00   5.40 132.29) =  99.999%  kept
          HA    THR   77 - HB2   PRO   93  10.20 +/- 1.23   0.493% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   GLN   30   7.17 +/- 0.61   3.751% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  16.47 +/- 0.98   0.021% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.73 +/- 0.60   0.002% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  18.49 +/- 1.08   0.010% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.69 +/- 0.25  55.442% * 97.4649% (0.90  10.0 10.00   5.40 132.29) =  99.912%  kept
          HB3   CYS   53 - HB2   PRO   93   4.60 +/- 2.18  41.500% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.083%
          QB    PHE   55 - HB2   PRO   93   7.00 +/- 0.75   2.128% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   ARG+  54 - HB2   PRO   93  11.50 +/- 1.31   0.067% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   PRO   93   7.92 +/- 0.91   0.849% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   PRO   93  20.50 +/- 0.94   0.003% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.13 +/- 1.65   0.007% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.68 +/- 0.69   0.001% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  28.15 +/- 1.42   0.000% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.36 +/- 1.22   0.001% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.75 +/- 1.07   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  24.28 +/- 0.81   0.001% *  0.0068% (0.06   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 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.29) = 100.000%  kept
    Distance limit 4.89 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 = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.75 +/- 0.29  92.104% * 98.7141% (1.00  10.0 10.00   5.40 132.29) =  99.974%  kept
        T HG3   PRO   52 - HG2   PRO   93   5.52 +/- 1.84   7.586% *  0.3047% (0.31   1.0 10.00   0.02   0.44) =   0.025%
          HB    VAL  108 - HG2   PRO   93   8.40 +/- 1.03   0.180% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.78 +/- 1.33   0.045% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.78 +/- 1.47   0.076% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.54 +/- 0.89   0.008% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  23.53 +/- 0.96   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.81 +/- 0.97   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.41 +/- 0.47   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  26.77 +/- 1.97   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.35 +/- 1.94   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 = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.45 +/- 0.25  99.986% * 99.7770% (0.73  10.0 10.00   4.00 132.29) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.78 +/- 1.21   0.013% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  18.51 +/- 0.66   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 = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.76 +/- 0.26  92.127% * 98.6805% (0.90  10.0 10.00   4.00 132.29) =  99.991%  kept
          HB3   CYS   53 - HG2   PRO   93   5.60 +/- 2.16   6.455% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.008%
          QB    PHE   55 - HG2   PRO   93   6.18 +/- 0.92   1.219% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93   8.60 +/- 1.22   0.177% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.61 +/- 1.50   0.021% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  22.10 +/- 1.09   0.000% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.05 +/- 0.02  99.857% * 99.2375% (0.84  10.0 10.00   2.43  25.32) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.27 +/- 1.06   0.047% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.40 +/- 0.70   0.015% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.13 +/- 1.24   0.051% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  17.25 +/- 2.74   0.009% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.44 +/- 0.93   0.010% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.64 +/- 0.57   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.49 +/- 0.80   0.004% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.35 +/- 0.55   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.29 +/- 0.65   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 0.11 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.45 +/- 0.12  99.976% * 99.7175% (1.00  10.0 10.00   2.96  25.32) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  12.48 +/- 0.83   0.006% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  12.99 +/- 1.82   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.41 +/- 0.54   0.010% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.14 +/- 0.72   0.001% *  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   3.05 +/- 0.02  99.870% * 99.9751% (0.84  10.0 10.00   2.43  25.32) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.55 +/- 0.92   0.130% *  0.0249% (0.21   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 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.15 +/- 0.01  99.993% * 99.7175% (0.84  10.0 10.00   2.43  25.32) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.56 +/- 0.62   0.004% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.52 +/- 2.16   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.14 +/- 1.13   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.62 +/- 1.01   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.45 +/- 0.12  99.953% * 99.9751% (1.00  10.0 10.00   2.96  25.32) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.01 +/- 0.75   0.047% *  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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.15 +/- 0.01  99.967% * 99.2375% (0.84  10.0 10.00   2.43  25.32) = 100.000%  kept
          QB    SER   85 - QG2   THR   94  13.71 +/- 2.91   0.011% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.45 +/- 0.96   0.009% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.02 +/- 0.65   0.003% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.18 +/- 0.99   0.006% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.08 +/- 0.70   0.001% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.35 +/- 0.53   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.04 +/- 0.43   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.34 +/- 0.50   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.46 +/- 0.64   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 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   2.55 +/- 0.14  99.994% * 99.8670% (1.00  10.0 10.00   4.00  73.52) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.55 +/- 0.80   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  18.19 +/- 0.98   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.52) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.95 +/- 0.72   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  21.12 +/- 0.97   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   2.55 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.52) = 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  73.52) = 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   3.00 +/- 0.14  98.618% * 99.6213% (0.98  10.0 10.00   5.00 115.54) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.40 +/- 0.69   1.349% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.68 +/- 0.61   0.019% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.16 +/- 0.54   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.31 +/- 0.78   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  17.56 +/- 1.12   0.003% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  18.72 +/- 1.11   0.002% *  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   2.71 +/- 0.14  99.982% * 99.7402% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.59 +/- 0.57   0.017% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.43 +/- 1.42   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.37 +/- 0.52   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  32.40 +/- 1.78   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   2.66 +/- 0.50  99.996% * 99.6261% (0.98  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.29 +/- 1.86   0.004% *  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   2.78 +/- 0.37  99.985% * 99.7437% (0.59  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   ASP-  62 - HA    MET   96  14.72 +/- 1.05   0.007% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.04 +/- 0.82   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    MET   96  17.85 +/- 2.95   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.59 +/- 1.07   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.14  99.750% * 99.9773% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.35 +/- 0.59   0.250% *  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  99.998% * 99.7402% (1.00  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.29 +/- 0.58   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.05 +/- 1.49   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.13 +/- 0.56   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  31.02 +/- 1.78   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   2.81 +/- 0.29  99.997% * 99.6261% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.41 +/- 2.03   0.003% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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   2.64 +/- 0.28  99.989% * 99.7437% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  16.88 +/- 3.30   0.007% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.71 +/- 1.13   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.90 +/- 1.01   0.002% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.44 +/- 0.68   0.001% *  0.0457% (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 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   2.71 +/- 0.14  99.918% * 99.9773% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.33 +/- 0.70   0.082% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.993% * 99.6213% (1.00  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.95 +/- 0.63   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.39 +/- 0.66   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.62 +/- 0.78   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  15.83 +/- 1.35   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  16.40 +/- 1.26   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.10 +/- 1.14   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.73 +/- 0.24  99.997% * 99.6261% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.39 +/- 1.97   0.003% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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   2.88 +/- 0.22  99.987% * 99.7437% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96  16.11 +/- 2.85   0.006% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.97 +/- 0.99   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  21.04 +/- 1.56   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.90 +/- 0.80   0.002% *  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   2.66 +/- 0.50  99.928% * 99.6779% (0.98  10.0 10.00   4.44 115.54) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.48 +/- 0.78   0.066% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  16.29 +/- 1.86   0.004% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  19.71 +/- 1.70   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.81 +/- 0.29  99.707% * 99.2205% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   7.96 +/- 0.79   0.262% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.41 +/- 2.03   0.003% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.68 +/- 1.03   0.008% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.42 +/- 1.14   0.007% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  18.13 +/- 1.42   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  17.75 +/- 1.36   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.34 +/- 1.00   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.43 +/- 2.17   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.17 +/- 1.47   0.002% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.16 +/- 2.02   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.10 +/- 1.42   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  25.91 +/- 1.89   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.47 +/- 1.79   0.000% *  0.0212% (0.21   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 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   2.73 +/- 0.24  99.486% * 99.3732% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   7.02 +/- 0.78   0.485% *  0.0073% (0.07   1.0  1.00   0.02   1.76) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.94 +/- 1.17   0.024% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.39 +/- 1.97   0.003% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.16 +/- 1.52   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.37 +/- 0.80   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.05 +/- 1.83   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  32.90 +/- 2.02   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  28.39 +/- 2.54   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.89 +/- 1.62   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.999% * 99.2819% (0.61  10.0 10.00   4.00 115.54) = 100.000%  kept
        T HG3   MET   96 - HB2   PRO   52  18.58 +/- 2.00   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.69 +/- 0.96   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HG2   MET   96  17.67 +/- 3.11   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.31 +/- 1.66   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.63 +/- 1.22   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.02 +/- 1.08   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.39 +/- 0.76   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.86 +/- 3.18   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.36 +/- 2.30   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   2.78 +/- 0.37  99.946% * 99.9773% (0.59  10.0 10.00   4.44 115.54) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.29 +/- 0.51   0.054% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.64 +/- 0.28  99.717% * 99.6213% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.90 +/- 0.90   0.266% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.38 +/- 0.58   0.007% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.85 +/- 0.65   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.22 +/- 0.97   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  18.36 +/- 1.30   0.001% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  17.70 +/- 1.46   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   2.88 +/- 0.22  99.970% * 99.7402% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.49 +/- 0.63   0.029% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.95 +/- 1.48   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.78 +/- 0.54   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.60 +/- 2.03   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.54) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.58 +/- 2.00   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   2.83 +/- 0.26  99.203% * 99.7149% (1.00  10.0 10.00   2.89  62.62) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   7.65 +/- 0.69   0.347% *  0.0724% (0.73   1.0  1.00   0.02  10.10) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.51 +/- 0.63   0.377% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  11.55 +/- 0.86   0.029% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.00 +/- 0.90   0.038% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.37 +/- 0.96   0.007% *  0.0197% (0.20   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 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   2.81 +/- 0.19  99.959% * 99.7224% (0.95  10.0 10.00   3.44  62.62) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  10.78 +/- 0.35   0.034% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.75 +/- 0.55   0.003% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  16.73 +/- 0.94   0.003% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.59 +/- 1.82   0.002% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   2.83 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.62) = 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  62.62) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.27 +/- 0.70   0.002% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.28 +/- 0.87   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  16.60 +/- 0.97   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.53 +/- 1.90   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.81 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.62) = 100.000%  kept
    Distance limit 3.48 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  99.915% * 99.7149% (0.95  10.0 10.00   3.31  62.62) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.66 +/- 1.04   0.048% *  0.0724% (0.69   1.0  1.00   0.02  10.10) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   7.09 +/- 0.98   0.035% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.12 +/- 0.93   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.19 +/- 0.83   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.61 +/- 1.14   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 = 83.4:
    * O T QB    LEU   98 - HA    LEU   98   2.20 +/- 0.09  99.918% * 99.2568% (0.87  10.0 10.00   4.97  83.39) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.71 +/- 2.26   0.014% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.02 +/- 0.79   0.055% *  0.0226% (0.20   1.0  1.00   0.02   0.63) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.18 +/- 1.04   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.10 +/- 0.63   0.004% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.48 +/- 1.34   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.15 +/- 0.50   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.46 +/- 1.01   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.78 +/- 0.86   0.001% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.40 +/- 0.48   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  23.03 +/- 4.57   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  23.49 +/- 5.90   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  23.07 +/- 1.29   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.86 +/- 0.97   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 = 0.989, support = 4.65, residual support = 82.2:
    *   T QD1   LEU   98 - HA    LEU   98   2.74 +/- 0.46  78.524% * 94.5680% (1.00 10.00   4.66  83.39) =  98.470%  kept
          QD2   LEU  104 - HA    LEU   98   3.89 +/- 0.91  21.458% *  5.3778% (0.31  1.00   3.68   6.08) =   1.530%  kept
          QG2   ILE   19 - HA    LEU   98  12.93 +/- 0.54   0.010% *  0.0355% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.44 +/- 0.71   0.007% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 83.4:
    *   T QD2   LEU   98 - HA    LEU   98   3.94 +/- 0.23  94.664% * 98.8770% (1.00 10.00   4.39  83.39) =  99.995%  kept
          QG2   VAL   41 - HA    LEU   98   6.60 +/- 0.46   4.744% *  0.0935% (0.95  1.00   0.02  23.17) =   0.005%
          QD2   LEU   63 - HA    LEU   98   9.48 +/- 0.78   0.579% *  0.0406% (0.41  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - HA    LEU   98  20.19 +/- 5.03   0.014% *  0.9888% (1.00 10.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 83.4:
    * O T HA    LEU   98 - QB    LEU   98   2.20 +/- 0.09 100.000% *100.0000% (0.87  10.0 10.00   4.97  83.39) = 100.000%  kept
    Distance limit 3.15 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 = 3.69, residual support = 83.4:
    * O T QD1   LEU   98 - QB    LEU   98   2.18 +/- 0.15  98.958% * 99.3996% (0.87  10.0 10.00   3.69  83.39) = 100.000%  kept
          QD2   LEU  104 - QB    LEU   98   5.07 +/- 0.80   1.023% *  0.0307% (0.27   1.0  1.00   0.02   6.08) =   0.000%
        T QG2   ILE   19 - QB    LEU   98  10.36 +/- 0.69   0.011% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  10.99 +/- 0.75   0.008% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.42, residual support = 82.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.04 +/- 0.07  98.438% * 51.1151% (0.87  10.0 10.00   3.44  83.39) =  98.535%  kept
        T QG2   VAL   41 - QB    LEU   98   4.39 +/- 0.57   1.547% * 48.3528% (0.82   1.0 10.00   2.26  23.17) =   1.465%  kept
        T QD1   LEU   80 - QB    LEU   98  16.85 +/- 4.64   0.001% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.25 +/- 0.68   0.014% *  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 = 4.66, residual support = 83.4:
    *   T HA    LEU   98 - QD1   LEU   98   2.74 +/- 0.46 100.000% *100.0000% (1.00 10.00   4.66  83.39) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.69, residual support = 83.4:
    * O T QB    LEU   98 - QD1   LEU   98   2.18 +/- 0.15  99.804% * 98.1517% (0.87  10.0 10.00   3.69  83.39) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.23 +/- 1.05   0.139% *  0.0224% (0.20   1.0  1.00   0.02   0.63) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.08 +/- 1.09   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  11.38 +/- 1.93   0.011% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  17.68 +/- 5.10   0.002% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.17 +/- 0.99   0.024% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.53 +/- 1.19   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.29 +/- 1.50   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  17.36 +/- 4.05   0.001% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  11.72 +/- 0.83   0.005% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.21 +/- 0.82   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.01 +/- 1.09   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  19.73 +/- 1.30   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.54 +/- 1.08   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 83.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.06  99.532% * 98.8770% (1.00  10.0 10.00   2.93  83.39) = 100.000%  kept
          QG2   VAL   41 - QD1   LEU   98   5.31 +/- 0.58   0.443% *  0.0935% (0.95   1.0  1.00   0.02  23.17) =   0.000%
        T QD1   LEU   80 - QD1   LEU   98  15.25 +/- 4.31   0.002% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   8.93 +/- 1.11   0.022% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 83.4:
    *   T HA    LEU   98 - QD2   LEU   98   3.94 +/- 0.23  99.986% * 99.4301% (1.00 10.00   4.39  83.39) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  20.19 +/- 5.03   0.014% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.728, support = 3.78, residual support = 83.4:
    * O T QB    LEU   98 - QD2   LEU   98   2.04 +/- 0.07  49.773% * 50.3539% (0.87  10.0 10.00   3.44  83.39) =  72.540%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  41.374% * 16.1964% (0.28  10.0  1.00   4.48  83.33) =  19.396%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.92 +/- 0.39   8.676% * 32.1120% (0.55  10.0 10.00   5.11  83.33) =   8.064%  kept
          HB    VAL   42 - QD2   LEU   98   6.34 +/- 0.92   0.116% *  0.0115% (0.20   1.0  1.00   0.02   0.63) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80  11.12 +/- 3.45   0.012% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  16.31 +/- 3.82   0.000% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.46 +/- 0.71   0.025% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  16.85 +/- 4.64   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.73 +/- 1.94   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.08 +/- 0.90   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.29 +/- 1.00   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.26 +/- 1.03   0.004% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  12.06 +/- 4.26   0.006% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  10.98 +/- 0.94   0.002% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  16.58 +/- 4.91   0.001% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.79 +/- 1.04   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.52 +/- 0.90   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.52 +/- 3.80   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.90 +/- 2.49   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  15.18 +/- 1.81   0.000% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  18.24 +/- 1.26   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  17.09 +/- 4.27   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  18.99 +/- 5.23   0.000% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.80 +/- 0.98   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  20.91 +/- 2.96   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  24.92 +/- 4.26   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  21.24 +/- 3.71   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  21.07 +/- 2.84   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 = 2.93, residual support = 83.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.06  99.802% * 98.8641% (1.00  10.0 10.00   2.93  83.39) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.37 +/- 0.77   0.157% *  0.3051% (0.31   1.0 10.00   0.02   6.08) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  15.25 +/- 4.31   0.002% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.89 +/- 0.64   0.017% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  12.22 +/- 3.41   0.010% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.70 +/- 0.45   0.009% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  19.83 +/- 4.22   0.000% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  13.90 +/- 3.29   0.003% *  0.0112% (0.11   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 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.4:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.01 +/- 0.53  96.453% * 98.7502% (1.00  10.0 10.00   6.44 171.45) =  99.996%  kept
          QG2   THR   39 - HA    LYS+  99   5.81 +/- 0.57   2.983% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HA    LYS+  99   8.56 +/- 1.13   0.405% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  99   9.68 +/- 0.92   0.133% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  13.97 +/- 0.71   0.015% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.68 +/- 0.95   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  25.81 +/- 2.82   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  16.37 +/- 0.83   0.006% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.05 +/- 1.37   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.05 +/- 2.20   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 0.13 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.627, support = 5.81, residual support = 171.5:
      O T HB3   LYS+  99 - HA    LYS+  99   2.72 +/- 0.28  80.588% * 28.6795% (0.41  10.0 10.00   5.81 171.45) =  63.406%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.71 +/- 0.65  19.121% * 69.7607% (1.00   1.0 10.00   5.82 171.45) =  36.594%  kept
        T QD    LYS+ 106 - HA    LYS+  99  12.07 +/- 0.74   0.012% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   7.65 +/- 0.62   0.265% *  0.0155% (0.22   1.0  1.00   0.02   1.77) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  15.47 +/- 1.75   0.004% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  16.83 +/- 0.55   0.002% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.19 +/- 0.76   0.007% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.87 +/- 0.28   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.32 +/- 1.76   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.08 +/- 0.43   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 = 7.06, residual support = 171.4:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.79 +/- 0.48  93.491% * 98.5233% (1.00  10.0 10.00   7.06 171.45) =  99.996%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.58 +/- 0.72   0.190% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  99   5.77 +/- 1.05   6.261% *  0.0219% (0.22   1.0  1.00   0.02  16.67) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.74 +/- 1.02   0.025% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  13.45 +/- 0.68   0.011% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.27 +/- 1.66   0.012% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.00 +/- 0.49   0.006% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.38 +/- 2.08   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  18.75 +/- 0.79   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  25.69 +/- 4.41   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  24.83 +/- 2.17   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  23.48 +/- 1.78   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 171.4:
    *   T QE    LYS+  99 - HA    LYS+  99   3.56 +/- 0.38  96.409% * 98.3577% (1.00 10.00   5.26 171.45) =  99.988%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.14 +/- 0.92   0.922% *  0.6756% (0.69 10.00   0.02   1.77) =   0.007%
        T QE    LYS+  38 - HA    LYS+  99   9.03 +/- 0.75   0.538% *  0.8821% (0.90 10.00   0.02   0.02) =   0.005%
          HB2   PHE   97 - HA    LYS+  99   7.18 +/- 0.77   2.089% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  13.69 +/- 1.10   0.042% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 171.5:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.79 +/- 0.27  95.322% * 99.5483% (1.00  10.0 10.00   7.00 171.45) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   4.83 +/- 0.64   4.616% *  0.0248% (0.25   1.0  1.00   0.02  12.77) =   0.001%
          HA    ASN   35 - HB2   LYS+  99  10.55 +/- 0.99   0.044% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.34 +/- 1.99   0.013% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  20.92 +/- 1.06   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.42 +/- 0.96   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.57 +/- 1.19   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.01 +/- 1.29   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.31 +/- 1.13   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.12 +/- 1.43   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.5:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.54 +/- 0.24  99.718% * 98.7502% (1.00  10.0 10.00   6.44 171.45) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.71 +/- 1.28   0.045% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   7.78 +/- 0.66   0.219% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.13 +/- 1.12   0.013% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.23 +/- 1.09   0.002% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.29 +/- 1.36   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  26.85 +/- 2.89   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.66 +/- 0.89   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.71 +/- 1.49   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.37 +/- 2.37   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 = 0.54, support = 4.86, residual support = 171.5:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  89.608% * 29.0322% (0.41  10.0   4.62 171.45) =  78.076%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.61 +/- 0.29  10.344% * 70.6187% (1.00  10.0   5.69 171.45) =  21.924%  kept
          QD    LYS+ 102 - HB2   LYS+  99   6.63 +/- 0.95   0.046% *  0.0157% (0.22   1.0   0.02   1.77) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.38 +/- 0.61   0.001% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.21 +/- 1.05   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.46 +/- 1.72   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.95 +/- 0.97   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.22 +/- 0.54   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.54 +/- 1.81   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.43 +/- 0.87   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 171.5:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.91 +/- 0.21  98.972% * 99.3871% (1.00  10.0   7.05 171.45) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.02 +/- 0.84   0.910% *  0.0221% (0.22   1.0   0.02  16.67) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99   9.91 +/- 0.76   0.075% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.97 +/- 1.04   0.010% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.04 +/- 1.14   0.010% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  12.97 +/- 1.48   0.016% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.10 +/- 0.73   0.004% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.77 +/- 2.28   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  19.72 +/- 0.82   0.001% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  25.55 +/- 2.08   0.000% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  27.27 +/- 4.65   0.000% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  24.53 +/- 1.94   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 171.4:
    *     QE    LYS+  99 - HB2   LYS+  99   3.46 +/- 0.71  93.433% * 99.0418% (1.00   5.05 171.45) =  99.983%  kept
          QE    LYS+ 102 - HB2   LYS+  99   6.99 +/- 1.15   3.933% *  0.2694% (0.69   0.02   1.77) =   0.011%
          HB2   PHE   97 - HB2   LYS+  99   6.73 +/- 0.83   2.263% *  0.1612% (0.41   0.02   0.02) =   0.004%
          QE    LYS+  38 - HB2   LYS+  99   9.60 +/- 0.95   0.356% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  15.90 +/- 1.23   0.015% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.4:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.01 +/- 0.53  80.600% * 97.9094% (1.00  10.0 10.00   6.44 171.45) =  99.995%  kept
          HA    LEU   40 - HG3   LYS+  99   4.37 +/- 0.99  12.764% *  0.0244% (0.25   1.0  1.00   0.02  12.77) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   5.30 +/- 0.85   5.814% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   8.56 +/- 1.13   0.330% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   9.47 +/- 1.16   0.124% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  13.56 +/- 2.34   0.032% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.46 +/- 0.88   0.315% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  22.25 +/- 1.05   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  25.81 +/- 2.82   0.000% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  19.70 +/- 2.00   0.002% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  18.58 +/- 1.15   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.09 +/- 1.13   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  24.85 +/- 3.62   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.08 +/- 1.46   0.003% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.26 +/- 1.49   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  19.71 +/- 2.68   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.08 +/- 1.06   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.81 +/- 1.60   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  28.26 +/- 3.77   0.000% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  22.83 +/- 2.00   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.69 +/- 1.98   0.004% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  30.85 +/- 3.17   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  23.22 +/- 1.67   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  25.46 +/- 2.97   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  20.31 +/- 2.30   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  24.62 +/- 1.62   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.21 +/- 1.51   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  28.60 +/- 2.89   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.33 +/- 3.93   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.41 +/- 1.61   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.918, support = 4.58, residual support = 176.0:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.63 +/- 0.52  48.447% * 89.0505% (1.00  10.0 10.00   4.62 171.45) =  91.006%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.59 +/- 0.37  51.141% *  8.3338% (0.09  10.0 10.00   4.16 221.56) =   8.990%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   8.11 +/- 1.43   0.154% *  0.6117% (0.69   1.0 10.00   0.02   1.77) =   0.002%
        T QE    LYS+  38 - HG3   LYS+  99   8.03 +/- 0.98   0.067% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   7.99 +/- 1.30   0.123% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   8.69 +/- 0.93   0.042% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  11.37 +/- 1.67   0.020% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  16.33 +/- 1.42   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  16.57 +/- 3.93   0.002% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  25.52 +/- 2.52   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  24.78 +/- 2.66   0.000% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  30.06 +/- 3.32   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.41 +/- 1.64   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.43 +/- 1.00   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  21.84 +/- 2.60   0.000% *  0.0148% (0.17   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 = 171.3:
    *   T HA    LYS+  99 - QD    LYS+  99   3.71 +/- 0.65  81.783% * 95.3467% (1.00 10.00   5.82 171.45) =  99.925%  kept
          HA    LEU   40 - QD    LYS+  99   4.92 +/- 0.96  17.166% *  0.3194% (0.25  1.00   0.27  12.77) =   0.070%
        T HA    LEU  123 - QD    LYS+  99  10.86 +/- 1.66   0.254% *  0.8271% (0.87 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QD    LYS+ 106  12.07 +/- 0.74   0.103% *  0.7677% (0.81 10.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  13.79 +/- 1.17   0.046% *  0.7262% (0.76 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+  99   9.90 +/- 1.43   0.347% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.77 +/- 1.17   0.020% *  0.6659% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  12.91 +/- 1.40   0.082% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  19.41 +/- 0.49   0.005% *  0.9019% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.05 +/- 0.82   0.065% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.80 +/- 1.66   0.013% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  13.66 +/- 1.09   0.049% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.69 +/- 0.96   0.005% *  0.0796% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  15.98 +/- 0.64   0.017% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.56 +/- 0.97   0.020% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.16 +/- 0.90   0.012% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.26 +/- 0.55   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.92 +/- 1.10   0.005% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.89 +/- 0.70   0.003% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.42 +/- 1.15   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.5:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.37 +/- 0.16  99.658% * 97.4178% (1.00  10.0  1.00   5.85 171.45) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.16 +/- 2.18   0.028% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.41 +/- 1.13   0.072% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.96 +/- 1.49   0.110% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.23 +/- 0.83   0.068% *  0.0217% (0.22   1.0  1.00   0.02  16.67) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.77 +/- 1.61   0.020% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.64 +/- 1.28   0.010% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.56 +/- 0.63   0.003% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.90 +/- 1.35   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  12.90 +/- 0.75   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.70 +/- 1.95   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.71 +/- 0.57   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.50 +/- 2.20   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.90 +/- 1.22   0.005% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  13.54 +/- 1.24   0.004% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  16.19 +/- 1.46   0.001% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.58 +/- 0.68   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  19.86 +/- 4.92   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.85 +/- 1.36   0.001% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  16.67 +/- 1.99   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  18.94 +/- 1.01   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  26.07 +/- 4.03   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  24.50 +/- 1.67   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  23.42 +/- 1.57   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 = 171.5:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.36 +/- 0.16  99.365% * 94.6730% (1.00  10.0 10.00   5.27 171.45) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.09 +/- 1.16   0.118% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   6.77 +/- 0.94   0.397% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106   9.67 +/- 2.35   0.064% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.30 +/- 0.80   0.019% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  13.38 +/- 0.65   0.003% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.11 +/- 1.16   0.013% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.69 +/- 1.16   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.30 +/- 1.13   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  12.20 +/- 1.85   0.010% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  16.94 +/- 2.81   0.001% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  15.71 +/- 0.66   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  14.73 +/- 1.09   0.002% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.90 +/- 1.76   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.20 +/- 0.85   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.37 +/- 2.06   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.24 +/- 1.29   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.99 +/- 1.08   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  25.93 +/- 2.31   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.91 +/- 1.00   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 171.5:
    * O T QE    LYS+  99 - QD    LYS+  99   2.10 +/- 0.03  99.650% * 96.3213% (1.00  10.0 10.00   4.00 171.45) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.82 +/- 1.29   0.065% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  99   7.58 +/- 1.03   0.076% *  0.6616% (0.69   1.0 10.00   0.02   1.77) =   0.001%
        T QE    LYS+ 102 - QD    LYS+ 106  10.09 +/- 1.09   0.010% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.82 +/- 1.07   0.131% *  0.0319% (0.33   1.0  1.00   0.02  10.10) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.44 +/- 0.71   0.063% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  12.21 +/- 0.78   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.82 +/- 1.31   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.21 +/- 1.59   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  15.65 +/- 1.27   0.001% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.988, support = 5.2, residual support = 168.9:
    *   T HA    LYS+  99 - QE    LYS+  99   3.56 +/- 0.38  56.987% * 95.9748% (1.00 10.00   5.26 171.45) =  98.405%  kept
          HA    LEU   40 - QE    LYS+  99   3.82 +/- 0.36  38.576% *  2.2857% (0.25  1.00   1.91  12.77) =   1.586%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.14 +/- 0.92   0.476% *  0.6545% (0.68 10.00   0.02   1.77) =   0.006%
        T HA    LYS+  99 - QE    LYS+  38   9.03 +/- 0.75   0.266% *  0.2589% (0.27 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  38   6.29 +/- 0.89   2.705% *  0.0250% (0.26  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  10.09 +/- 1.86   0.278% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+  99   9.76 +/- 1.14   0.183% *  0.0926% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.22 +/- 1.64   0.080% *  0.0632% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.10 +/- 1.02   0.126% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.14 +/- 0.56   0.237% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  18.15 +/- 3.10   0.017% *  0.0225% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  17.52 +/- 1.85   0.006% *  0.0568% (0.59  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.57 +/- 0.80   0.003% *  0.0908% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  14.98 +/- 0.81   0.010% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.77 +/- 1.06   0.018% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.48 +/- 1.16   0.002% *  0.0802% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.84 +/- 1.29   0.001% *  0.0547% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.79 +/- 0.81   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.04 +/- 0.75   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  17.17 +/- 2.03   0.013% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.22 +/- 1.23   0.003% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.71 +/- 0.93   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  26.57 +/- 1.72   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  19.34 +/- 2.22   0.003% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.26 +/- 1.26   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.20 +/- 1.95   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.88 +/- 1.99   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.29 +/- 0.79   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.53 +/- 1.81   0.000% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.79 +/- 1.86   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.45, support = 4.09, residual support = 171.5:
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  89.823% * 59.3753% (0.41  10.0 10.00   4.00 171.45) =  93.401%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.38 +/- 0.63   9.835% * 38.3097% (1.00   1.0  1.00   5.31 171.45) =   6.598%  kept
        T QD    LYS+  99 - QE    LYS+ 102   7.58 +/- 1.03   0.070% *  0.4049% (0.28   1.0 10.00   0.02   1.77) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   7.15 +/- 1.24   0.184% *  0.0985% (0.68   1.0  1.00   0.02   1.77) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.82 +/- 1.29   0.060% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102  10.09 +/- 1.09   0.009% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.21 +/- 0.78   0.002% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.64 +/- 1.22   0.014% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.37 +/- 0.72   0.001% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.82 +/- 1.31   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.92 +/- 0.67   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.40 +/- 0.80   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.24 +/- 1.27   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  25.37 +/- 1.91   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  25.18 +/- 2.23   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.37 +/- 1.49   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.95 +/- 0.87   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  30.09 +/- 2.68   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 = 0.913, support = 4.58, residual support = 176.3:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.63 +/- 0.52  48.123% * 88.1476% (1.00  10.0 10.00   4.62 171.45) =  90.368%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.59 +/- 0.37  50.638% *  8.9252% (0.10  10.0 10.00   4.16 221.56) =   9.628%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.11 +/- 1.43   0.152% *  0.6011% (0.68   1.0 10.00   0.02   1.77) =   0.002%
          QG2   THR   39 - QE    LYS+  99   5.65 +/- 0.61   0.718% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   7.99 +/- 1.30   0.121% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.03 +/- 0.98   0.066% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  11.37 +/- 1.67   0.019% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.62 +/- 0.92   0.027% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.39 +/- 0.59   0.104% *  0.0154% (0.17   1.0  1.00   0.02  27.84) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  11.32 +/- 1.18   0.013% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  13.14 +/- 0.65   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.12 +/- 1.02   0.007% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.94 +/- 1.67   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.11 +/- 1.12   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.08 +/- 0.86   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  25.52 +/- 2.52   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  24.78 +/- 2.66   0.000% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  16.37 +/- 1.20   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.51 +/- 1.07   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.87 +/- 1.00   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  19.83 +/- 1.96   0.000% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.44 +/- 1.12   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.33 +/- 2.09   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.95 +/- 0.63   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  20.49 +/- 2.18   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.49 +/- 1.56   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  30.06 +/- 3.32   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.35 +/- 1.66   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.43 +/- 1.49   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  27.99 +/- 2.67   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.98 +/- 0.10  93.284% * 99.1823% (1.00  10.0 10.00   4.26  75.62) =  99.996%  kept
        T HB2   GLU- 100 - HA    LYS+  38   4.92 +/- 1.12   6.509% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HA    GLU- 100  10.72 +/- 0.60   0.046% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.38 +/- 1.05   0.065% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.73 +/- 0.57   0.081% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  25.15 +/- 0.97   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.14 +/- 0.78   0.014% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.88 +/- 2.20   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.60 +/- 0.73   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.36 +/- 1.07   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  23.70 +/- 2.29   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.44 +/- 0.95   0.000% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.51 +/- 0.22  87.196% * 99.2716% (1.00  10.0 10.00   4.26  75.62) =  99.991%  kept
        T HB3   GLU- 100 - HA    LYS+  38   3.89 +/- 1.41  12.739% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    GLU- 100  11.42 +/- 1.73   0.024% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  12.59 +/- 1.53   0.009% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.56 +/- 1.11   0.013% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  16.47 +/- 1.38   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.23 +/- 0.96   0.008% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.72 +/- 1.22   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  20.36 +/- 0.95   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.10 +/- 0.50   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.05 +/- 0.90   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.25 +/- 0.55   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.83 +/- 1.29   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  14.69 +/- 1.05   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.25 +/- 1.72   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.43 +/- 0.76   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.01 +/- 1.31   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  22.69 +/- 0.77   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.84 +/- 0.85   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.23 +/- 0.74   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.55 +/- 1.71   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.94 +/- 0.86   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 75.6:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.87 +/- 0.38  55.522% * 99.4988% (1.00  10.0 10.00   4.72  75.62) =  99.952%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.30 +/- 1.39  44.402% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.048%
          HB2   MET   96 - HA    GLU- 100  12.34 +/- 0.66   0.011% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  11.16 +/- 1.03   0.021% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.75 +/- 0.69   0.004% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.37 +/- 1.29   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.45 +/- 0.78   0.026% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.56 +/- 1.34   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.77 +/- 0.70   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.54 +/- 1.11   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.62 +/- 1.21   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.14 +/- 0.86   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.24 +/- 0.48   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.86 +/- 0.92   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.17 +/- 1.23   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.55 +/- 0.99   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.25 +/- 0.49   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.08 +/- 0.88   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.98 +/- 0.10  93.476% * 98.6741% (1.00  10.0 10.00   4.26  75.62) =  99.984%  kept
        T HA    LYS+  38 - HB2   GLU- 100   4.92 +/- 1.12   6.523% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.016%
        T HD2   PRO   58 - HB2   GLU- 100  27.50 +/- 0.55   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  29.14 +/- 3.53   0.000% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.22 +/- 1.08   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 = 75.6:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.62) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.14 +/- 1.58   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  15.37 +/- 1.40   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.72 +/- 1.26   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  20.48 +/- 0.92   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.44 +/- 0.67   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.40 +/- 1.21   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.45 +/- 0.65   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.28 +/- 0.72   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  25.36 +/- 1.72   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  31.77 +/- 0.59   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.06  99.956% * 99.5837% (1.00  10.0 10.00   3.24  75.62) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.47 +/- 0.70   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.41 +/- 0.80   0.008% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.65 +/- 0.81   0.019% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.01 +/- 1.21   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.51 +/- 1.21   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.80 +/- 0.99   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.10 +/- 1.18   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.93 +/- 0.73   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.51 +/- 0.22  87.254% * 99.5406% (1.00  10.0 10.00   4.26  75.62) =  99.967%  kept
        T HA    LYS+  38 - HB3   GLU- 100   3.89 +/- 1.41  12.745% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.033%
          HA    VAL   83 - HB3   GLU- 100  29.19 +/- 3.55   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.08 +/- 0.63   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.66 +/- 0.91   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.6:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.62) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.87 +/- 0.64   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.36 +/- 1.11   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.59 +/- 0.94   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.83 +/- 2.26   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.71 +/- 0.93   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.43 +/- 0.18  99.987% * 99.0882% (1.00  10.0 10.00   3.24  75.62) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  12.80 +/- 0.96   0.006% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.03 +/- 0.77   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.52 +/- 0.78   0.002% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.30 +/- 1.40   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.22 +/- 1.24   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.76 +/- 1.10   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.59 +/- 1.17   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.53 +/- 0.86   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.71, residual support = 75.5:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.87 +/- 0.38  55.584% * 99.5406% (1.00  10.0 10.00   4.72  75.62) =  99.822%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.30 +/- 1.39  44.416% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.178%
          HD2   PRO   58 - HG2   GLU- 100  27.29 +/- 0.88   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   GLU- 100  29.64 +/- 3.47   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.29 +/- 1.01   0.000% *  0.0409% (0.41   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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.06  99.930% * 99.6840% (1.00  10.0 10.00   3.24  75.62) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.76 +/- 0.99   0.032% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.82 +/- 1.53   0.037% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.05 +/- 1.02   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  24.80 +/- 2.24   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.75 +/- 1.07   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.6:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.43 +/- 0.18  99.983% * 98.4783% (1.00  10.0 10.00   3.24  75.62) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  15.90 +/- 1.68   0.002% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.43 +/- 1.76   0.008% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  15.58 +/- 1.30   0.002% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  14.33 +/- 1.67   0.004% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  20.85 +/- 0.99   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  20.67 +/- 1.33   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.72 +/- 0.62   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.91 +/- 0.77   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.28 +/- 1.84   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.71 +/- 1.01   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  18.09 +/- 0.91   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  99.991% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101   9.13 +/- 1.28   0.007% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  11.81 +/- 2.01   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  17.45 +/- 1.89   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.88 +/- 0.57   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.88 +/- 1.13   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.24 +/- 1.81   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.22 +/- 0.78   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  97.691% * 99.0531% (1.00  10.0 10.00   6.31 159.19) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.53 +/- 0.35   2.267% *  0.0338% (0.34   1.0  1.00   0.02  22.16) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   9.06 +/- 0.88   0.037% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.78 +/- 1.29   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  17.79 +/- 1.40   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.02 +/- 0.66   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.44 +/- 0.43   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  19.72 +/- 1.55   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.49 +/- 0.75   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.02 +/- 1.42   0.000% *  0.0153% (0.15   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 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   3.12 +/- 0.52  99.794% * 99.3298% (1.00  10.0 10.00   5.75 159.19) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.86 +/- 0.69   0.151% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.43 +/- 1.41   0.019% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.37 +/- 1.04   0.008% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.01 +/- 2.14   0.008% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.34 +/- 1.35   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.55 +/- 0.65   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.31 +/- 0.77   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.40 +/- 0.48   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.46 +/- 1.13   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.35 +/- 1.35   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.16 +/- 0.98   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  26.38 +/- 6.33   0.001% *  0.0339% (0.34   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.29 +/- 0.59  80.406% * 96.7067% (1.00  10.0 10.00   5.05 159.19) =  99.990%  kept
          QB    LEU   98 - HA    LYS+ 102   4.62 +/- 0.76  16.108% *  0.0330% (0.34   1.0  1.00   0.02   2.67) =   0.007%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.54 +/- 0.48   0.173% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+ 102   6.71 +/- 0.95   3.251% *  0.0269% (0.28   1.0  1.00   0.02   2.67) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  16.36 +/- 1.25   0.007% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.69 +/- 0.71   0.033% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.88 +/- 0.66   0.008% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.54 +/- 0.88   0.001% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  16.83 +/- 1.30   0.007% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.06 +/- 0.48   0.002% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.45 +/- 0.38   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  23.64 +/- 1.99   0.001% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  25.73 +/- 1.46   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.34 +/- 0.63   0.001% *  0.0149% (0.15   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 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   2.70 +/- 0.73  99.331% * 98.2489% (1.00 10.00   5.05 159.19) = 100.000%  kept
          QD    LYS+  38 - HA    LYS+ 102   9.86 +/- 1.49   0.130% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 102   7.67 +/- 0.44   0.427% *  0.0219% (0.22  1.00   0.02   1.77) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102  10.17 +/- 0.93   0.090% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.31 +/- 0.78   0.010% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.13 +/- 1.68   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  22.66 +/- 1.02   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.24 +/- 1.11   0.007% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  19.40 +/- 1.23   0.002% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.21 +/- 0.72   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.74 +/- 0.50   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  25.67 +/- 3.75   0.000% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 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   3.18 +/- 0.44  99.622% * 98.4155% (1.00 10.00   5.05 159.19) =  99.997%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.80 +/- 0.41   0.285% *  0.6760% (0.69 10.00   0.02   1.77) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  11.21 +/- 1.50   0.094% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.50 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  99.948% * 99.1785% (1.00  10.0 10.00   6.31 159.19) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.06 +/- 0.88   0.038% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  11.61 +/- 0.63   0.008% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.62 +/- 0.52   0.005% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.13 +/- 0.96   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.68 +/- 0.72   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.70 +/- 0.72   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.02 +/- 0.78   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.70 +/- 1.57   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  26.28 +/- 1.15   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.65 +/- 0.31   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  29.49 +/- 0.29   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.634% * 96.6607% (1.00  10.0 10.00   5.31 159.19) =  99.999%  kept
          HG    LEU   73 - HB    VAL   41   5.86 +/- 1.18   0.733% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB    VAL   41   6.31 +/- 0.94   0.492% *  0.0348% (0.36   1.0  1.00   0.02  20.11) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.47 +/- 1.01   0.017% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   8.23 +/- 0.58   0.065% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.88 +/- 1.08   0.008% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  14.52 +/- 2.09   0.003% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  16.59 +/- 1.15   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.40 +/- 0.86   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.87 +/- 0.63   0.012% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.86 +/- 1.37   0.003% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  13.98 +/- 1.05   0.003% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.66 +/- 1.18   0.017% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  13.77 +/- 0.88   0.003% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.69 +/- 0.71   0.001% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.93 +/- 0.44   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.99 +/- 0.90   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.28 +/- 0.37   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.97 +/- 1.09   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  17.54 +/- 1.21   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  19.86 +/- 5.44   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.29 +/- 1.02   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.15 +/- 1.03   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.99 +/- 0.82   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.48 +/- 1.23   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  25.17 +/- 5.44   0.000% *  0.0330% (0.34   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 = 0.966, support = 4.68, residual support = 153.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.32 +/- 0.17  69.459% * 81.1240% (1.00  10.0 10.00   4.75 159.19) =  95.949%  kept
        T QB    LEU   98 - HB    VAL   41   3.26 +/- 0.83  19.112% * 12.4339% (0.15   1.0 10.00   2.96  23.17) =   4.047%  kept
          HG    LEU   98 - HB    VAL   41   3.96 +/- 0.98  10.158% *  0.0101% (0.12   1.0  1.00   0.02  23.17) =   0.002%
        T HB    VAL   42 - HB    VAL   41   5.99 +/- 0.21   0.253% *  0.3573% (0.44   1.0 10.00   0.02  23.52) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   5.25 +/- 0.60   0.742% *  0.0277% (0.34   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.30 +/- 0.54   0.020% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.96 +/- 0.97   0.016% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.62 +/- 0.86   0.005% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  11.10 +/- 1.17   0.008% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.49 +/- 0.66   0.084% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.13 +/- 0.89   0.126% *  0.0226% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.21 +/- 1.15   0.007% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.05 +/- 1.14   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.04 +/- 1.12   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.57 +/- 0.73   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.25 +/- 0.50   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.91 +/- 0.47   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  13.85 +/- 1.36   0.002% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.30 +/- 0.73   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.92 +/- 0.58   0.003% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.80 +/- 0.84   0.001% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.71 +/- 0.42   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  19.37 +/- 1.70   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.72 +/- 1.34   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  19.16 +/- 1.85   0.000% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.37 +/- 1.53   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  22.51 +/- 1.69   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.95 +/- 0.59   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   2.38 +/- 0.33  98.069% * 94.6216% (1.00  10.0 10.00   4.75 159.19) =  99.998%  kept
        T QD    LYS+  38 - QB    LYS+ 102   7.70 +/- 1.27   0.177% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   5.30 +/- 0.74   1.464% *  0.0211% (0.22   1.0  1.00   0.02   1.77) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.34 +/- 0.94   0.023% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.55 +/- 0.86   0.019% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.83 +/- 0.65   0.101% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.91 +/- 0.78   0.031% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.79 +/- 0.92   0.073% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.02 +/- 0.84   0.009% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.20 +/- 1.94   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.81 +/- 1.07   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.63 +/- 1.33   0.023% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.66 +/- 0.71   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.12 +/- 0.60   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  19.91 +/- 0.92   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.12 +/- 1.46   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  16.24 +/- 1.34   0.002% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.72 +/- 1.43   0.003% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.61 +/- 1.00   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.62 +/- 1.80   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  19.89 +/- 2.97   0.001% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.71 +/- 0.40   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.49 +/- 0.81   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  24.57 +/- 3.25   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.03 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   2.51 +/- 0.47  99.084% * 97.2926% (1.00 10.00   4.75 159.19) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   6.55 +/- 0.77   0.613% *  0.6683% (0.69 10.00   0.02   1.77) =   0.004%
        T QE    LYS+  38 - QB    LYS+ 102   8.95 +/- 1.28   0.109% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   8.20 +/- 0.33   0.140% *  0.3003% (0.31 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  10.81 +/- 1.05   0.041% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.98 +/- 0.72   0.013% *  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   3.12 +/- 0.52  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.19) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.66 +/- 1.17   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.82 +/- 1.60   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.84 +/- 0.84   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  30.11 +/- 1.58   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.65 +/- 1.09   0.000% *  0.0645% (0.65   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 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  99.751% * 98.4503% (1.00  10.0 10.00   5.31 159.19) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.47 +/- 1.01   0.017% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   6.93 +/- 0.73   0.228% *  0.0336% (0.34   1.0  1.00   0.02  22.16) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  17.87 +/- 1.92   0.001% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.45 +/- 1.30   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.38 +/- 1.25   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.26 +/- 1.24   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  19.65 +/- 1.79   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.14 +/- 1.11   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.73 +/- 1.86   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 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  99.924% * 96.7067% (1.00  10.0 10.00   4.41 159.19) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.18 +/- 1.61   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.30 +/- 0.76   0.060% *  0.0330% (0.34   1.0  1.00   0.02   2.67) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.54 +/- 1.15   0.013% *  0.0269% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.80 +/- 1.66   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  13.82 +/- 0.83   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.02 +/- 1.49   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.55 +/- 0.75   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  16.30 +/- 1.74   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.84 +/- 1.42   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.59 +/- 1.68   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.77 +/- 1.42   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  25.57 +/- 2.06   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.85 +/- 0.60   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  99.782% * 98.2489% (1.00  10.0 10.00   4.41 159.19) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   8.81 +/- 1.87   0.060% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   6.83 +/- 0.85   0.148% *  0.0219% (0.22   1.0  1.00   0.02   1.77) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.75 +/- 1.54   0.007% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  14.50 +/- 1.85   0.002% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.02 +/- 1.47   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.53 +/- 2.71   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  19.18 +/- 1.66   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.90 +/- 1.00   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  25.05 +/- 1.44   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.81 +/- 1.24   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  27.95 +/- 3.77   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.23 +/- 0.29  99.265% * 98.4155% (1.00  10.0 10.00   4.41 159.19) =  99.994%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.18 +/- 0.77   0.470% *  0.6760% (0.69   1.0 10.00   0.02   1.77) =   0.003%
        T QE    LYS+  38 - HG2   LYS+ 102  10.06 +/- 1.92   0.265% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.67 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   3.29 +/- 0.59  99.356% * 97.9004% (1.00  10.0 10.00   5.05 159.19) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.54 +/- 0.48   0.245% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.25 +/- 1.38   0.223% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.36 +/- 1.25   0.010% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.54 +/- 0.88   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.86 +/- 0.56   0.070% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  14.66 +/- 1.78   0.028% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  18.18 +/- 1.64   0.007% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.32 +/- 0.95   0.036% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  19.20 +/- 2.64   0.006% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.39 +/- 1.86   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.34 +/- 1.34   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.97 +/- 1.52   0.002% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.93 +/- 1.59   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.43 +/- 1.24   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.49 +/- 1.08   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.85 +/- 1.40   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.87 +/- 0.99   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  30.47 +/- 1.83   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.81 +/- 0.77   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  28.66 +/- 2.48   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.63 +/- 1.20   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  30.58 +/- 1.46   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  34.07 +/- 1.27   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.906, support = 5.18, residual support = 162.2:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.32 +/- 0.17  47.539% * 54.4770% (1.00  10.0 10.00   4.75 159.19) =  53.479%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.14  51.842% * 43.4551% (0.80  10.0  1.00   5.67 165.66) =  46.520%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.33 +/- 0.59   0.177% *  0.0305% (0.56   1.0  1.00   0.02  26.27) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.21 +/- 0.90   0.094% *  0.0186% (0.34   1.0  1.00   0.02  22.16) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   8.24 +/- 1.82   0.074% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  11.10 +/- 1.17   0.005% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.96 +/- 0.97   0.010% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.30 +/- 0.54   0.012% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.91 +/- 1.00   0.042% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.08 +/- 0.62   0.189% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.21 +/- 1.15   0.005% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.05 +/- 1.14   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.04 +/- 1.12   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.99 +/- 1.49   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.15 +/- 1.51   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.57 +/- 0.73   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.35 +/- 1.61   0.003% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  18.21 +/- 1.65   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.01 +/- 0.72   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  18.35 +/- 1.52   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  16.34 +/- 1.34   0.000% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.67 +/- 1.30   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.10 +/- 1.52   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  19.06 +/- 1.16   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  18.26 +/- 1.24   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.78 +/- 1.02   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.59 +/- 1.37   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.77 +/- 0.51   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.51 +/- 1.20   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  19.85 +/- 1.70   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.30 +/- 1.30   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.41 +/- 1.45   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.46 +/- 1.00   0.001% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.75 +/- 0.96   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.66 +/- 1.08   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.44 +/- 1.51   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.96 +/- 0.81   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.62 +/- 2.77   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.02 +/- 2.02   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.65 +/- 2.17   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  98.153% * 96.9231% (1.00  10.0 10.00   4.41 159.19) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   4.27 +/- 1.06   1.537% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   5.73 +/- 1.22   0.274% *  0.0684% (0.71   1.0  1.00   0.02  26.27) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.18 +/- 1.61   0.003% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.37 +/- 1.33   0.008% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.62 +/- 0.72   0.004% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  10.73 +/- 0.83   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33  10.62 +/- 1.48   0.003% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.80 +/- 1.66   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.19 +/- 0.94   0.003% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.05 +/- 0.79   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  13.45 +/- 1.23   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.81 +/- 1.58   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.23 +/- 0.52   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.59 +/- 1.45   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  15.71 +/- 1.23   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.62 +/- 1.77   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.34 +/- 0.94   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.66 +/- 1.35   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.10 +/- 1.61   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.02 +/- 1.49   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  13.74 +/- 1.75   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  17.58 +/- 2.42   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  17.03 +/- 1.41   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.36 +/- 1.10   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.12 +/- 1.75   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.04 +/- 1.09   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.94 +/- 1.99   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  19.75 +/- 1.72   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.82 +/- 0.35   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  16.31 +/- 1.48   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.81 +/- 2.31   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.17 +/- 1.52   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  20.95 +/- 1.42   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.98 +/- 0.82   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.56 +/- 0.98   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.80 +/- 1.23   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  18.90 +/- 0.82   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.01 +/- 0.42   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.56 +/- 0.89   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.99 +/- 1.49   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  22.06 +/- 5.33   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.80 +/- 1.33   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.43 +/- 1.60   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  23.22 +/- 6.20   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.49 +/- 1.21   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  24.91 +/- 2.56   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  29.03 +/- 6.03   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.88 +/- 1.62   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.54 +/- 1.57   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.12 +/- 1.44   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  26.77 +/- 1.52   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 = 0.816, support = 4.1, residual support = 160.4:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.46 +/- 0.10  35.067% * 63.6907% (1.00  10.0 10.00   4.00 159.19) =  68.099%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.50 +/- 0.09  32.470% * 29.3443% (0.46  10.0 10.00   4.27 165.66) =  29.051%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.50 +/- 0.13  32.297% *  2.8935% (0.05  10.0  1.00   4.63 135.77) =   2.849%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106  10.00 +/- 1.36   0.016% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102   9.15 +/- 1.86   0.030% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   7.09 +/- 0.84   0.077% *  0.0142% (0.22   1.0  1.00   0.02   1.77) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  11.80 +/- 1.42   0.004% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.12 +/- 1.54   0.001% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.79 +/- 1.88   0.002% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  11.28 +/- 1.16   0.005% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.90 +/- 1.35   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  13.83 +/- 1.59   0.002% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.35 +/- 0.60   0.013% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.78 +/- 1.53   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.50 +/- 1.43   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.83 +/- 1.63   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  14.62 +/- 1.51   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  19.56 +/- 1.73   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.33 +/- 1.56   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.52 +/- 1.11   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.58 +/- 2.61   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  23.47 +/- 1.28   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  18.20 +/- 1.50   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.47 +/- 1.03   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.07 +/- 0.48   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  14.06 +/- 1.43   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  19.37 +/- 1.51   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.54 +/- 0.74   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.99 +/- 0.84   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.78 +/- 0.49   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.13 +/- 1.98   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.36 +/- 0.78   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.44 +/- 1.10   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.27 +/- 1.05   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.48 +/- 1.17   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  25.31 +/- 1.38   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.68 +/- 1.95   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.62 +/- 0.85   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.07 +/- 1.33   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  23.29 +/- 3.59   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  21.60 +/- 4.35   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  25.18 +/- 2.76   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  20.18 +/- 1.76   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  25.26 +/- 1.77   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.26 +/- 1.82   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  28.40 +/- 3.59   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.73 +/- 1.17   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.33 +/- 1.39   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   2.32 +/- 0.22  99.875% * 94.7812% (1.00  10.0 10.00   4.00 159.19) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   8.55 +/- 0.89   0.053% *  0.6511% (0.69   1.0 10.00   0.02   1.77) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  10.39 +/- 1.93   0.023% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.71 +/- 1.32   0.009% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.81 +/- 0.96   0.023% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  13.11 +/- 1.15   0.004% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.83 +/- 1.72   0.002% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.57 +/- 0.75   0.008% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  15.68 +/- 1.05   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.38 +/- 2.18   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  23.82 +/- 0.91   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.02 +/- 1.16   0.001% *  0.1594% (0.17   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 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   2.70 +/- 0.73  97.198% * 99.0980% (1.00 10.00   5.05 159.19) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.56 +/- 1.44   2.728% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.16 +/- 2.33   0.035% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  22.66 +/- 1.02   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.13 +/- 1.68   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  20.29 +/- 1.13   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.58 +/- 1.50   0.005% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.43 +/- 1.54   0.018% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.03 +/- 2.35   0.004% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.38 +/- 1.54   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  19.58 +/- 1.70   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.75 +/- 1.99   0.003% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.39 +/- 0.84   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.48 +/- 1.81   0.001% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  27.36 +/- 1.42   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.67 +/- 2.12   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  30.55 +/- 1.04   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.23 +/- 2.13   0.001% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.752, support = 4.88, residual support = 161.3:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.38 +/- 0.33  33.277% * 77.3438% (1.00  10.0 10.00   4.75 159.19) =  67.097%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.06 +/- 0.11  65.863% * 19.1619% (0.25  10.0 10.00   5.15 165.66) =  32.901%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.29 +/- 2.48   0.341% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - QD    LYS+ 102   6.24 +/- 0.92   0.167% *  0.0264% (0.34   1.0  1.00   0.02  22.16) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.08 +/- 0.68   0.158% *  0.0134% (0.17   1.0  1.00   0.02  26.27) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.34 +/- 0.94   0.005% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.13 +/- 1.84   0.160% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  11.64 +/- 1.30   0.003% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.34 +/- 2.03   0.022% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.16 +/- 0.95   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.17 +/- 1.26   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.22 +/- 1.48   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.99 +/- 1.12   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.81 +/- 1.07   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.37 +/- 1.51   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.84 +/- 1.38   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  18.45 +/- 1.44   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.91 +/- 0.92   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.01 +/- 1.57   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.12 +/- 1.46   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.61 +/- 1.26   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.62 +/- 1.80   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.32 +/- 1.86   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.71 +/- 1.06   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.52 +/- 1.70   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  17.97 +/- 1.55   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.82 +/- 1.29   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.36 +/- 1.88   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.11 +/- 1.59   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.12 +/- 1.84   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  89.062% * 98.4875% (1.00  10.0 10.00   4.41 159.19) =  99.998%  kept
          QB    ALA   61 - QD    LYS+  65   4.38 +/- 1.08   9.239% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD    LYS+  65   5.38 +/- 1.14   1.138% *  0.0216% (0.22   1.0  1.00   0.02  26.27) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   6.28 +/- 1.04   0.343% *  0.0079% (0.08   1.0  1.00   0.02   9.13) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.28 +/- 1.42   0.082% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.32 +/- 0.90   0.009% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.95 +/- 1.05   0.027% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.57 +/- 1.59   0.055% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   9.14 +/- 0.60   0.019% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.23 +/- 1.14   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  16.51 +/- 2.13   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.05 +/- 1.20   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.47 +/- 1.50   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.08 +/- 1.67   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.68 +/- 1.08   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.35 +/- 1.58   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.43 +/- 1.06   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.03 +/- 1.18   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.46 +/- 1.06   0.003% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.99 +/- 1.23   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.02 +/- 1.47   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.75 +/- 1.20   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.53 +/- 2.71   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.58 +/- 1.54   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.63 +/- 1.74   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.76 +/- 0.88   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.89 +/- 2.02   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.79 +/- 1.41   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.31 +/- 1.63   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.21 +/- 1.48   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.35 +/- 1.33   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.18 +/- 2.21   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  25.90 +/- 6.01   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.57 +/- 1.83   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.44 +/- 2.65   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.60 +/- 1.89   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  22.80 +/- 1.68   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  26.18 +/- 5.29   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.72 +/- 2.34   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 = 0.859, support = 4.05, residual support = 160.4:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.46 +/- 0.10  51.398% * 76.0877% (1.00  10.0 10.00   4.00 159.19) =  81.313%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.50 +/- 0.09  47.672% * 18.8507% (0.25  10.0 10.00   4.27 165.66) =  18.685%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.39 +/- 2.81   0.412% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+ 102  10.00 +/- 1.36   0.022% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.30 +/- 0.82   0.257% *  0.0260% (0.34   1.0  1.00   0.02   2.67) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.95 +/- 0.95   0.158% *  0.0197% (0.26   1.0  1.00   0.02  27.98) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.38 +/- 1.19   0.054% *  0.0212% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.12 +/- 1.54   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.79 +/- 1.88   0.002% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.54 +/- 0.87   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.40 +/- 0.72   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.12 +/- 1.17   0.004% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.52 +/- 1.11   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  19.56 +/- 1.73   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.54 +/- 0.74   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  21.89 +/- 2.12   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.94 +/- 1.78   0.002% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.71 +/- 1.18   0.001% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.33 +/- 1.56   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.14 +/- 1.37   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.47 +/- 1.28   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.58 +/- 2.61   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.49 +/- 1.61   0.005% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.99 +/- 1.38   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.81 +/- 1.18   0.002% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.65 +/- 1.27   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.19 +/- 1.80   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.83 +/- 1.30   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.08 +/- 1.27   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  19.17 +/- 2.94   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.74 +/- 0.85   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  24.12 +/- 1.50   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.45 +/- 1.16   0.001% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  23.01 +/- 2.20   0.000% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.68 +/- 1.95   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.11 +/- 1.33   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.99 +/- 1.60   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.33 +/- 0.67   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.62 +/- 1.15   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.50 +/- 1.87   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.47 +/- 2.12   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.54 +/- 1.60   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   2.11 +/- 0.03  99.955% * 97.1326% (1.00  10.0 10.00   4.00 159.19) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.54 +/- 0.72   0.027% *  0.6672% (0.69   1.0 10.00   0.02   1.77) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102   9.76 +/- 1.47   0.016% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.52 +/- 1.10   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.32 +/- 2.17   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.59 +/- 1.94   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.90 +/- 1.00   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.26 +/- 1.73   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.06 +/- 2.28   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.18 +/- 0.44  99.599% * 98.6090% (1.00 10.00   5.05 159.19) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.80 +/- 0.41   0.285% *  0.6725% (0.68 10.00   0.02   1.77) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  11.21 +/- 1.50   0.094% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.03 +/- 0.67   0.005% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.78 +/- 1.39   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  20.09 +/- 1.33   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.07 +/- 0.52   0.005% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.38 +/- 0.80   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  19.19 +/- 0.49   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.81 +/- 1.07   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.79 +/- 1.23   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  27.36 +/- 1.46   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.82 +/- 0.65   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  30.61 +/- 0.81   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.76 +/- 0.81   0.002% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.56 +/- 1.40   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  31.41 +/- 1.97   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  34.08 +/- 0.98   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 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   2.51 +/- 0.47  98.058% * 97.3354% (1.00 10.00   4.75 159.19) =  99.994%  kept
        T QB    LYS+ 102 - QE    LYS+  99   6.55 +/- 0.77   0.601% *  0.6638% (0.68 10.00   0.02   1.77) =   0.004%
        T HB    VAL   41 - QE    LYS+  99   8.20 +/- 0.33   0.138% *  0.3231% (0.33 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+ 102   6.39 +/- 0.47   0.742% *  0.0332% (0.34  1.00   0.02  22.16) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   8.95 +/- 1.28   0.107% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.81 +/- 1.05   0.040% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.70 +/- 0.80   0.108% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99   9.73 +/- 1.21   0.071% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.98 +/- 0.72   0.013% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.73 +/- 0.66   0.045% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.03 +/- 0.90   0.009% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.74 +/- 1.66   0.006% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.08 +/- 1.15   0.021% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  11.76 +/- 1.86   0.016% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.52 +/- 1.99   0.009% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.20 +/- 1.37   0.002% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.30 +/- 0.82   0.002% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.38 +/- 0.87   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.22 +/- 2.05   0.002% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.07 +/- 1.35   0.005% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.29 +/- 0.83   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.86 +/- 0.76   0.000% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  18.47 +/- 1.79   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.76 +/- 1.92   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.13 +/- 1.03   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  20.14 +/- 3.17   0.002% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.06 +/- 1.32   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.03 +/- 1.56   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.51 +/- 1.52   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  30.42 +/- 1.75   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 156.4:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.23 +/- 0.29  56.993% * 95.3864% (1.00  10.0 10.00   4.41 159.19) =  98.108%  kept
          HG    LEU   40 - QE    LYS+  99   3.65 +/- 0.95  40.714% *  2.5671% (0.55   1.0  1.00   0.99  12.77) =   1.886%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.18 +/- 0.77   0.289% *  0.6505% (0.68   1.0 10.00   0.02   1.77) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  38  10.06 +/- 1.92   0.182% *  0.2183% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  99   7.64 +/- 1.42   0.670% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99   8.30 +/- 2.24   0.571% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  10.77 +/- 0.86   0.053% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.15 +/- 2.80   0.234% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.19 +/- 1.20   0.047% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  12.07 +/- 0.98   0.025% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.11 +/- 1.29   0.057% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.04 +/- 1.08   0.052% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.62 +/- 1.49   0.005% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  14.39 +/- 1.89   0.026% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.34 +/- 0.63   0.008% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.10 +/- 1.33   0.016% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.87 +/- 1.12   0.005% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  16.44 +/- 1.16   0.004% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  16.92 +/- 2.08   0.004% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  14.89 +/- 1.29   0.008% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  18.52 +/- 1.37   0.002% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  17.96 +/- 2.29   0.007% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  18.89 +/- 0.77   0.002% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  16.13 +/- 0.82   0.004% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.68 +/- 1.04   0.004% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.92 +/- 0.61   0.001% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.42 +/- 1.08   0.003% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.62 +/- 1.28   0.002% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.73 +/- 1.60   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.47 +/- 1.55   0.005% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.26 +/- 1.03   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.14 +/- 2.16   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  26.15 +/- 5.80   0.000% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.29 +/- 1.45   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  25.07 +/- 4.52   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.03 +/- 1.76   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.75 +/- 1.47   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.00 +/- 1.84   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  28.50 +/- 4.99   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 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   2.32 +/- 0.22  99.057% * 93.0940% (1.00  10.0 10.00   4.00 159.19) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   8.55 +/- 0.89   0.052% *  0.6349% (0.68   1.0 10.00   0.02   1.77) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.81 +/- 0.96   0.023% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.65 +/- 0.75   0.305% *  0.0318% (0.34   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.57 +/- 0.75   0.008% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.39 +/- 1.93   0.022% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.31 +/- 0.63   0.074% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.94 +/- 0.29   0.188% *  0.0217% (0.23   1.0  1.00   0.02  16.67) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.71 +/- 1.06   0.109% *  0.0259% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  13.11 +/- 1.15   0.004% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.83 +/- 1.72   0.002% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.71 +/- 1.32   0.009% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.26 +/- 0.94   0.088% *  0.0177% (0.19   1.0  1.00   0.02  16.67) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  15.68 +/- 1.05   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.73 +/- 0.80   0.003% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.61 +/- 1.70   0.018% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.56 +/- 0.65   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.02 +/- 1.16   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  23.82 +/- 0.91   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.59 +/- 0.83   0.013% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.90 +/- 0.86   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.79 +/- 1.82   0.008% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.38 +/- 2.18   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.87 +/- 1.10   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  15.06 +/- 1.55   0.002% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.95 +/- 1.22   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.21 +/- 0.84   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.67 +/- 0.98   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.68 +/- 0.69   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  18.32 +/- 1.98   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.77 +/- 0.95   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.87 +/- 1.03   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.10 +/- 0.78   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  24.66 +/- 1.83   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  23.05 +/- 1.89   0.000% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  17.12 +/- 2.42   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  22.93 +/- 1.50   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.68 +/- 0.94   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.76 +/- 1.28   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.49 +/- 1.78   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.84 +/- 1.57   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  26.54 +/- 2.23   0.000% *  0.0080% (0.09   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 = 0.786, support = 3.96, residual support = 169.5:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.03  32.587% * 72.2175% (1.00  10.0 10.00   4.00 159.19) =  74.276%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.04  34.151% * 13.2369% (0.18  10.0  1.00   3.74 221.56) =  14.267%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  33.104% * 10.9650% (0.15  10.0 10.00   4.00 171.45) =  11.456%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.54 +/- 0.72   0.009% *  0.4925% (0.68   1.0 10.00   0.02   1.77) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   7.58 +/- 1.03   0.025% *  0.1608% (0.22   1.0 10.00   0.02   1.77) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   6.52 +/- 1.14   0.076% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38   9.76 +/- 1.47   0.005% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.82 +/- 1.29   0.021% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102  10.09 +/- 1.09   0.003% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102   9.39 +/- 1.48   0.007% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99   9.71 +/- 1.40   0.006% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.21 +/- 0.78   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.52 +/- 1.10   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  11.58 +/- 1.72   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  13.49 +/- 1.26   0.001% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.59 +/- 1.94   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.26 +/- 1.73   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  21.90 +/- 1.00   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.92 +/- 0.67   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  18.00 +/- 1.54   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.32 +/- 2.17   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.82 +/- 1.31   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.24 +/- 1.27   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.85 +/- 0.67   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.61 +/- 1.10   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  19.95 +/- 2.90   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.25 +/- 0.89   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.18 +/- 2.12   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.23 +/- 0.74   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  25.38 +/- 3.59   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.06 +/- 2.28   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.95 +/- 0.87   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  24.99 +/- 2.58   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.98 +/- 1.44   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  28.88 +/- 3.09   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  27.65 +/- 1.14   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 = 0.726, support = 5.77, residual support = 138.4:
    * O T HB    ILE  103 - HA    ILE  103   2.98 +/- 0.02  26.943% * 82.5223% (1.00  10.0 10.00   5.66 138.43) =  65.854%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.51 +/- 0.36  70.589% * 16.3310% (0.20  10.0 10.00   5.98 138.43) =  34.144%  kept
          QB    LYS+ 106 - HA    ILE  103   6.36 +/- 0.43   0.301% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE  103   7.03 +/- 0.35   0.159% *  0.0818% (0.99   1.0  1.00   0.02   3.92) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.70 +/- 0.33   1.898% *  0.0068% (0.08   1.0  1.00   0.02  27.84) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.35 +/- 0.69   0.066% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.52 +/- 0.55   0.002% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.24 +/- 1.72   0.020% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.86 +/- 0.70   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.67 +/- 0.72   0.005% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.95 +/- 0.94   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.29 +/- 1.51   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  16.33 +/- 1.40   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.35 +/- 0.69   0.002% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.10 +/- 2.64   0.003% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.17 +/- 0.91   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.74 +/- 0.63   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  25.49 +/- 3.25   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  21.95 +/- 1.45   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  25.26 +/- 0.89   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.59 +/- 0.88   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.51 +/- 1.08   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.53 +/- 0.93   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  28.80 +/- 2.53   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  31.34 +/- 1.11   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.00 +/- 1.63   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 = 0.92, support = 5.32, residual support = 138.4:
    * O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.08  70.862% * 68.5552% (1.00  10.0 10.00   5.39 138.43) =  85.560%  kept
        T QD1   ILE  103 - HA    ILE  103   3.28 +/- 0.63  26.671% * 30.7355% (0.45   1.0 10.00   4.90 138.43) =  14.438%  kept
          QD2   LEU   40 - HA    ILE  103   5.28 +/- 0.36   1.183% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.65 +/- 0.30   0.837% *  0.0219% (0.32   1.0  1.00   0.02  24.11) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.77 +/- 0.72   0.307% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.60 +/- 1.23   0.089% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.46 +/- 0.53   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.08 +/- 2.07   0.022% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.26 +/- 1.11   0.007% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.86 +/- 0.49   0.006% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.24 +/- 0.80   0.005% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  16.46 +/- 1.10   0.001% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.14 +/- 0.69   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.08 +/- 1.28   0.002% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.90 +/- 1.10   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  19.30 +/- 0.67   0.000% *  0.0093% (0.14   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 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.642, support = 5.11, residual support = 138.4:
    *   T QD1   ILE  103 - HA    ILE  103   3.28 +/- 0.63  26.672% * 78.2519% (0.92   1.0 10.00   4.90 138.43) =  58.218%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.08  70.863% * 21.1374% (0.25  10.0 10.00   5.39 138.43) =  41.781%  kept
          QD2   LEU   40 - HA    ILE  103   5.28 +/- 0.36   1.183% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.77 +/- 0.72   0.307% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.65 +/- 0.30   0.837% *  0.0043% (0.05   1.0  1.00   0.02  24.11) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.26 +/- 1.11   0.007% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.46 +/- 0.53   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.60 +/- 1.23   0.089% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.24 +/- 0.80   0.005% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.86 +/- 0.49   0.006% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.08 +/- 2.07   0.022% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.08 +/- 1.28   0.002% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.14 +/- 0.69   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.90 +/- 1.10   0.001% *  0.0096% (0.11   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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.4:
    * O T HA    ILE  103 - HB    ILE  103   2.98 +/- 0.02  99.981% * 98.6567% (1.00  10.0 10.00   5.66 138.43) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.52 +/- 0.55   0.008% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  14.07 +/- 0.56   0.009% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  22.91 +/- 1.29   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  26.98 +/- 3.44   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.93 +/- 0.87   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  26.66 +/- 2.03   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  25.45 +/- 4.43   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.57 +/- 1.18   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  34.59 +/- 2.03   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  27.63 +/- 0.94   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  32.28 +/- 1.69   0.000% *  0.0305% (0.31   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 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 = 0.879, support = 4.92, residual support = 138.4:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  61.337% * 68.8462% (1.00  10.0 10.00   4.98 138.43) =  77.980%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.34 +/- 0.33  38.632% * 30.8659% (0.45  10.0 10.00   4.73 138.43) =  22.020%  kept
          QD2   LEU   40 - HB    ILE  103   7.70 +/- 0.34   0.028% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.41 +/- 2.09   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.07 +/- 0.52   0.000% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.88 +/- 0.83   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  17.72 +/- 1.27   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  21.14 +/- 0.80   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 = 0.721, support = 4.8, residual support = 138.4:
    * O T QD1   ILE  103 - HB    ILE  103   2.34 +/- 0.33  38.632% * 78.5650% (0.92  10.0 10.00   4.73 138.43) =  69.985%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  61.337% * 21.2220% (0.25  10.0 10.00   4.98 138.43) =  30.015%  kept
          QD2   LEU   40 - HB    ILE  103   7.70 +/- 0.34   0.028% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.88 +/- 0.83   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.07 +/- 0.52   0.000% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.41 +/- 2.09   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  21.14 +/- 0.80   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 = 5.39, residual support = 138.4:
    * O T HA    ILE  103 - QG2   ILE  103   2.65 +/- 0.08  99.958% * 98.6567% (1.00  10.0 10.00   5.39 138.43) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.46 +/- 0.53   0.010% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103  10.49 +/- 0.53   0.027% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  18.06 +/- 1.05   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.66 +/- 0.81   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  21.88 +/- 2.84   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  21.55 +/- 1.53   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  20.82 +/- 3.77   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.34 +/- 1.02   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  28.80 +/- 1.62   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.63 +/- 0.82   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.73 +/- 1.44   0.000% *  0.0305% (0.31   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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.982, support = 4.99, residual support = 138.4:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  85.429% * 82.9317% (1.00  10.0 10.00   4.98 138.43) =  97.702%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.07 +/- 0.22  10.134% * 16.4121% (0.20  10.0 10.00   5.31 138.43) =   2.294%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.83 +/- 0.54   3.956% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.07 +/- 0.26   0.476% *  0.0822% (0.99   1.0  1.00   0.02   3.92) =   0.001%
          QB    LYS+  33 - QG2   ILE  103  14.54 +/- 0.62   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  13.83 +/- 1.03   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.12 +/- 0.64   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.92 +/- 1.30   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.84 +/- 0.75   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.13 +/- 1.17   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  21.03 +/- 2.82   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  20.11 +/- 0.91   0.000% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.83 +/- 1.03   0.000% *  0.0827% (1.00   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 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 = 4.9, residual support = 138.4:
    *   T HA    ILE  103 - QD1   ILE  103   3.28 +/- 0.63  99.785% * 98.6567% (0.92 10.00   4.90 138.43) = 100.000%  kept
        T HA    THR   39 - QD1   ILE  103  12.26 +/- 1.11   0.045% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103  10.43 +/- 0.83   0.135% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  17.35 +/- 1.28   0.008% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  20.55 +/- 2.83   0.005% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  19.27 +/- 3.55   0.009% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  20.34 +/- 1.82   0.003% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.44 +/- 0.98   0.006% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.83 +/- 1.17   0.002% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  22.44 +/- 1.28   0.001% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  28.33 +/- 2.30   0.000% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  26.35 +/- 1.97   0.000% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.757, support = 4.7, residual support = 138.4:
    * O T HB    ILE  103 - QD1   ILE  103   2.34 +/- 0.33  39.993% * 82.9317% (0.92  10.0 10.00   4.73 138.43) =  77.595%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.02  58.346% * 16.4121% (0.18  10.0 10.00   4.62 138.43) =  22.403%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.81 +/- 1.12   1.607% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   ILE  103   7.67 +/- 0.81   0.049% *  0.0822% (0.91   1.0  1.00   0.02   3.92) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.24 +/- 1.05   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  12.66 +/- 1.30   0.002% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.90 +/- 1.38   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  15.98 +/- 1.37   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  19.79 +/- 3.03   0.000% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.93 +/- 0.97   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  19.48 +/- 1.10   0.000% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.87 +/- 1.46   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.50 +/- 0.99   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 = 220.2:
    * O T HB2   LEU  104 - HA    LEU  104   3.02 +/- 0.00  99.911% * 99.7433% (0.87  10.0 10.00   5.98 220.19) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.73 +/- 0.50   0.053% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.40 +/- 0.97   0.024% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.71 +/- 0.60   0.012% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.26 +/- 0.57   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 = 220.2:
    * O T HB3   LEU  104 - HA    LEU  104   2.46 +/- 0.04  99.961% * 99.4463% (0.76  10.0 10.00   5.31 220.19) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.63 +/- 1.09   0.019% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.24 +/- 0.74   0.012% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  14.02 +/- 0.96   0.003% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.44 +/- 0.63   0.004% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.26 +/- 1.02   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 = 5.84, residual support = 220.2:
    * O T HG    LEU  104 - HA    LEU  104   3.30 +/- 0.42  97.776% * 99.5259% (1.00  10.0 10.00   5.84 220.19) =  99.998%  kept
          HB3   LYS+ 121 - HA    LEU  104   7.25 +/- 1.15   1.837% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104   8.77 +/- 0.97   0.358% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.52 +/- 2.06   0.009% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.00 +/- 1.60   0.011% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.15 +/- 0.92   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  20.30 +/- 1.29   0.002% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.09 +/- 0.72   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.86 +/- 0.88   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 220.2:
    *   T QD1   LEU  104 - HA    LEU  104   3.52 +/- 0.37  99.737% * 98.8828% (0.96 10.00   5.31 220.19) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.40 +/- 0.42   0.171% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.32 +/- 0.68   0.038% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.06 +/- 0.59   0.044% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  22.07 +/- 3.91   0.004% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  22.75 +/- 4.65   0.003% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  20.27 +/- 1.65   0.003% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 6.02, residual support = 220.2:
    *   T QD2   LEU  104 - HA    LEU  104   2.22 +/- 0.46  99.570% * 98.7440% (1.00 10.00   6.02 220.19) =  99.999%  kept
        T QD1   LEU   98 - HA    LEU  104   6.50 +/- 0.37   0.377% *  0.3048% (0.31 10.00   0.02   6.08) =   0.001%
        T QG1   VAL   41 - HA    LEU  104   9.03 +/- 0.71   0.034% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.85 +/- 0.82   0.001% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.75 +/- 0.65   0.016% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.23 +/- 0.97   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.01 +/- 1.27   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 220.2:
    * O T HA    LEU  104 - HB2   LEU  104   3.02 +/- 0.00  99.999% * 99.7454% (0.87  10.0 10.00   5.98 220.19) = 100.000%  kept
          HA    GLU-  14 - HB2   LEU  104  23.50 +/- 0.87   0.000% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  28.39 +/- 3.94   0.000% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  27.24 +/- 3.29   0.000% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  28.37 +/- 1.49   0.000% *  0.0647% (0.56   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 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 = 5.4, residual support = 220.2:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.980% * 99.4463% (0.66  10.0 10.00   5.40 220.19) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.35 +/- 1.02   0.012% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104   9.39 +/- 0.85   0.005% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  12.21 +/- 1.00   0.001% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.57 +/- 0.67   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.01 +/- 1.05   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 = 220.2:
    * O T HG    LEU  104 - HB2   LEU  104   2.42 +/- 0.28  98.222% * 99.5259% (0.87  10.0 10.00   6.00 220.19) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   6.07 +/- 1.33   1.194% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   7.52 +/- 1.58   0.574% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.61 +/- 1.54   0.005% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.58 +/- 2.18   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.58 +/- 0.92   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  18.68 +/- 1.43   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.91 +/- 0.85   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.46 +/- 0.74   0.001% *  0.0197% (0.17   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 220.2:
    * O T QD1   LEU  104 - HB2   LEU  104   2.61 +/- 0.18  99.847% * 98.8828% (0.84  10.0 10.00   5.40 220.19) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.17 +/- 0.53   0.120% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB2   LEU  104  11.75 +/- 0.76   0.014% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.41 +/- 0.75   0.016% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  21.00 +/- 3.59   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  21.37 +/- 4.35   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  19.20 +/- 1.68   0.001% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.28, residual support = 220.2:
    * O T QD2   LEU  104 - HB2   LEU  104   3.01 +/- 0.30  97.677% * 99.0156% (0.87  10.0 10.00   6.28 220.19) =  99.998%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.77 +/- 0.76   0.461% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB2   LEU  104   6.13 +/- 0.53   1.705% *  0.0306% (0.27   1.0  1.00   0.02   6.08) =   0.001%
        T QG2   VAL   18 - HB2   LEU  104  14.50 +/- 0.80   0.009% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB2   LEU  104   9.36 +/- 0.73   0.135% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.15 +/- 1.11   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.12 +/- 1.34   0.005% *  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 = 220.2:
    * O T HA    LEU  104 - HB3   LEU  104   2.46 +/- 0.04 100.000% * 99.7454% (0.76  10.0 10.00   5.31 220.19) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  24.60 +/- 0.94   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  29.86 +/- 4.04   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  29.36 +/- 1.58   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  28.63 +/- 3.26   0.000% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 220.2:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.995% * 99.7433% (0.66  10.0 10.00   5.40 220.19) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.09 +/- 0.38   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  10.92 +/- 1.08   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  11.87 +/- 0.65   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.23 +/- 0.65   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 220.2:
    * O T HG    LEU  104 - HB3   LEU  104   2.90 +/- 0.15  94.092% * 99.5259% (0.76  10.0 10.00   5.27 220.19) =  99.994%  kept
          HB3   LYS+ 121 - HB3   LEU  104   5.45 +/- 1.28   5.119% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HB3   LEU  104   7.13 +/- 1.34   0.770% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  13.94 +/- 1.60   0.011% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.09 +/- 2.10   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.12 +/- 0.93   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  19.96 +/- 1.42   0.001% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  18.84 +/- 0.91   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.84 +/- 0.75   0.001% *  0.0197% (0.15   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 220.2:
    * O T QD1   LEU  104 - HB3   LEU  104   2.22 +/- 0.28  99.958% * 98.8828% (0.74  10.0 10.00   5.00 220.19) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.08 +/- 0.52   0.031% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.18 +/- 0.77   0.004% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  11.85 +/- 0.74   0.006% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  22.33 +/- 3.65   0.000% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  22.75 +/- 4.33   0.000% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  20.44 +/- 1.68   0.000% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 220.2:
    * O T QD2   LEU  104 - HB3   LEU  104   2.72 +/- 0.26  99.506% * 99.0156% (0.76  10.0 10.00   5.50 220.19) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.94 +/- 0.76   0.092% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   7.29 +/- 0.42   0.365% *  0.0306% (0.24   1.0  1.00   0.02   6.08) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.71 +/- 0.79   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.80 +/- 0.72   0.030% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.34 +/- 1.17   0.003% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.38 +/- 1.38   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 = 5.84, residual support = 220.2:
    * O T HA    LEU  104 - HG    LEU  104   3.30 +/- 0.42  99.998% * 99.7454% (1.00  10.0 10.00   5.84 220.19) = 100.000%  kept
          HA    GLU-  14 - HG    LEU  104  23.36 +/- 1.13   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  29.14 +/- 3.95   0.000% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.92 +/- 1.93   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  28.17 +/- 3.42   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 220.2:
    * O T HB2   LEU  104 - HG    LEU  104   2.42 +/- 0.28  99.976% * 99.7433% (0.87  10.0 10.00   6.00 220.19) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.72 +/- 0.44   0.009% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.13 +/- 1.29   0.009% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.66 +/- 0.80   0.006% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  20.99 +/- 0.67   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 220.2:
    * O T HB3   LEU  104 - HG    LEU  104   2.90 +/- 0.15  99.607% * 99.4463% (0.76  10.0 10.00   5.27 220.19) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.31 +/- 1.17   0.279% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  10.64 +/- 0.94   0.048% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.57 +/- 1.22   0.033% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  11.93 +/- 1.00   0.025% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.55 +/- 1.36   0.008% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 220.2:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.981% * 98.8828% (0.97  10.0 10.00   5.27 220.19) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.65 +/- 0.75   0.013% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.69 +/- 1.04   0.004% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.25 +/- 0.80   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  21.58 +/- 3.60   0.000% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  21.89 +/- 4.70   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  20.21 +/- 1.67   0.000% *  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 = 5.97, residual support = 220.2:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.602% * 99.0156% (1.00  10.0 10.00   5.97 220.19) = 100.000%  kept
        T QG1   VAL   41 - HG    LEU  104   6.83 +/- 1.14   0.128% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.85 +/- 0.43   0.254% *  0.0306% (0.31   1.0  1.00   0.02   6.08) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.18 +/- 0.89   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.67 +/- 0.94   0.013% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  14.89 +/- 1.08   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.25 +/- 1.27   0.000% *  0.0680% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 220.2:
    *   T HA    LEU  104 - QD1   LEU  104   3.52 +/- 0.37  99.684% * 99.2875% (0.96 10.00   5.31 220.19) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.40 +/- 0.42   0.171% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.32 +/- 0.68   0.038% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  14.50 +/- 1.00   0.025% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  19.23 +/- 0.77   0.004% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  16.48 +/- 3.41   0.028% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  16.36 +/- 2.27   0.016% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.86 +/- 0.61   0.013% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.99 +/- 1.42   0.002% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  18.35 +/- 1.77   0.007% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  25.69 +/- 3.24   0.001% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  24.85 +/- 2.98   0.001% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  21.34 +/- 2.38   0.003% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.73 +/- 0.82   0.003% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  20.37 +/- 2.00   0.004% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.71, support = 5.16, residual support = 209.1:
    * O T HB2   LEU  104 - QD1   LEU  104   2.61 +/- 0.18  17.789% * 90.2691% (0.84  10.0 10.00   5.40 220.19) =  83.704%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  58.449% *  3.3567% (0.03  10.0 10.00   5.65 242.21) =  10.227%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.16 +/- 1.23  23.683% *  4.9159% (0.10   1.0 10.00   0.91   0.30) =   6.069%  kept
        T QD1   ILE  119 - QD1   LEU  104   9.81 +/- 1.18   0.006% *  0.5892% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.17 +/- 0.53   0.018% *  0.1663% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.28 +/- 0.87   0.005% *  0.1823% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   7.75 +/- 0.75   0.028% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.75 +/- 0.76   0.002% *  0.1663% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.62 +/- 0.34   0.004% *  0.1004% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.23 +/- 0.72   0.002% *  0.1085% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  10.28 +/- 0.91   0.005% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.89 +/- 1.35   0.007% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.04 +/- 0.86   0.002% *  0.0336% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.56 +/- 0.66   0.000% *  0.0548% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.84 +/- 1.53   0.000% *  0.0101% (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 = 0.705, support = 5.05, residual support = 221.3:
    * O T HB3   LEU  104 - QD1   LEU  104   2.22 +/- 0.28  64.574% * 89.6045% (0.74  10.0 10.00   5.00 220.19) =  95.093%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.48 +/- 0.17  33.627% *  8.8779% (0.07  10.0 10.00   5.93 242.21) =   4.906%  kept
          QG1   VAL   70 - QD1   LEU  104   6.51 +/- 1.17   0.175% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   73   5.38 +/- 1.10   0.680% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   5.77 +/- 1.14   0.424% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.76 +/- 0.86   0.010% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   5.83 +/- 0.49   0.225% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   7.96 +/- 0.92   0.035% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.45 +/- 0.56   0.113% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.08 +/- 0.52   0.014% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.12 +/- 0.79   0.076% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.94 +/- 0.89   0.009% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.43 +/- 0.71   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.60 +/- 0.43   0.019% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.18 +/- 0.77   0.001% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.49 +/- 0.98   0.002% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.12 +/- 0.77   0.007% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.60 +/- 1.22   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 = 220.2:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  98.034% * 98.9901% (0.97  10.0 10.00   5.27 220.19) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   5.78 +/- 1.37   0.637% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104   7.25 +/- 1.58   0.148% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.80 +/- 0.36   0.809% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.65 +/- 0.75   0.012% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.31 +/- 1.07   0.097% *  0.0125% (0.12   1.0  1.00   0.02   5.33) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.74 +/- 0.75   0.049% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.69 +/- 1.04   0.004% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.39 +/- 0.74   0.069% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.84 +/- 0.83   0.022% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.34 +/- 1.39   0.006% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.46 +/- 1.70   0.019% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.04 +/- 0.43   0.017% *  0.0176% (0.17   1.0  1.00   0.02  43.47) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.46 +/- 1.44   0.041% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.44 +/- 0.29   0.025% *  0.0045% (0.04   1.0  1.00   0.02   1.82) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.25 +/- 1.82   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.92 +/- 0.86   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  15.18 +/- 1.25   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.40 +/- 0.91   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.10 +/- 0.75   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.32 +/- 1.25   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.42 +/- 0.57   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.04 +/- 1.42   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.91 +/- 0.69   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.99 +/- 1.14   0.001% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.78 +/- 1.46   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  16.52 +/- 1.44   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.964, support = 5.52, residual support = 219.9:
    * O T QD2   LEU  104 - QD1   LEU  104   2.08 +/- 0.03  75.368% * 97.8642% (0.97  10.0 10.00   5.53 220.19) =  99.857%  kept
          QG1   VAL   43 - QD1   LEU   73   2.83 +/- 0.67  23.270% *  0.4500% (0.06   1.0  1.00   1.46   8.34) =   0.142%
        T QG1   VAL   41 - QD1   LEU  104   6.49 +/- 0.74   0.108% *  0.1937% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   5.12 +/- 0.62   0.536% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.83 +/- 0.75   0.083% *  0.1020% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.37 +/- 0.44   0.044% *  0.1020% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   6.21 +/- 0.55   0.141% *  0.0302% (0.30   1.0  1.00   0.02   6.08) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   6.11 +/- 0.67   0.168% *  0.0174% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.03 +/- 0.81   0.014% *  0.1802% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.58 +/- 0.76   0.005% *  0.1802% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.87 +/- 0.76   0.001% *  0.5541% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   7.97 +/- 1.50   0.049% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.56 +/- 0.81   0.097% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   9.10 +/- 0.86   0.013% *  0.0334% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.09 +/- 0.55   0.012% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.38 +/- 0.60   0.044% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.66 +/- 0.44   0.016% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.69 +/- 0.89   0.002% *  0.0944% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.62 +/- 1.20   0.023% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.50 +/- 1.29   0.006% *  0.0174% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.95 +/- 1.18   0.001% *  0.0672% (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 = 6.02, residual support = 220.2:
    *   T HA    LEU  104 - QD2   LEU  104   2.22 +/- 0.46  99.934% * 99.4871% (1.00 10.00   6.02 220.19) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   9.03 +/- 0.71   0.035% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.01 +/- 0.57   0.023% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.85 +/- 0.82   0.001% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.61 +/- 1.08   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.02 +/- 0.75   0.002% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.49 +/- 0.93   0.002% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  24.27 +/- 1.52   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  24.92 +/- 3.51   0.000% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  24.08 +/- 2.86   0.000% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  19.96 +/- 1.87   0.000% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.93 +/- 2.42   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.95 +/- 1.42   0.000% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  21.11 +/- 3.58   0.001% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  21.26 +/- 3.05   0.000% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.28, residual support = 220.2:
    * O T HB2   LEU  104 - QD2   LEU  104   3.01 +/- 0.30  98.743% * 99.4846% (0.87  10.0 10.00   6.28 220.19) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.77 +/- 0.76   0.467% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.19 +/- 0.48   0.074% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  10.94 +/- 1.07   0.051% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.10 +/- 0.90   0.172% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.50 +/- 0.80   0.009% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.41 +/- 0.92   0.310% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.73 +/- 0.96   0.030% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.18 +/- 1.01   0.029% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.16 +/- 0.47   0.046% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.30 +/- 0.67   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.20 +/- 0.87   0.028% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  15.36 +/- 1.43   0.008% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.98 +/- 0.74   0.030% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.15 +/- 0.98   0.001% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.469, support = 4.79, residual support = 153.0:
    * O T HB3   LEU  104 - QD2   LEU  104   2.72 +/- 0.26  16.266% * 83.3286% (0.76  10.0 10.00   5.50 220.19) =  52.900%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  80.310% * 15.0261% (0.14  10.0 10.00   4.00  77.50) =  47.099%  kept
          QD1   LEU   71 - QG1   VAL   41   4.67 +/- 1.09   3.058% *  0.0058% (0.05   1.0  1.00   0.02   3.04) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.86 +/- 1.32   0.043% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.20 +/- 0.88   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.51 +/- 0.99   0.009% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.96 +/- 1.20   0.048% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.30 +/- 0.58   0.112% *  0.0057% (0.05   1.0  1.00   0.02   2.74) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.09 +/- 0.76   0.011% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.94 +/- 0.76   0.013% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.13 +/- 0.97   0.033% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.46 +/- 0.89   0.005% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.14 +/- 1.09   0.076% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.18 +/- 1.04   0.004% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.03 +/- 1.25   0.004% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.71 +/- 0.79   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.87 +/- 1.07   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.41 +/- 0.70   0.005% *  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 = 5.97, residual support = 220.2:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  89.145% * 99.1830% (1.00  10.0 10.00   5.97 220.19) =  99.998%  kept
          HD3   LYS+  74 - QG2   VAL   18   3.66 +/- 0.90   9.384% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.002%
          HG2   LYS+  65 - QG2   VAL   18   6.30 +/- 1.71   1.064% *  0.0447% (0.04   1.0  1.00   0.24   0.02) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   6.97 +/- 1.27   0.126% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.83 +/- 1.14   0.115% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.38 +/- 1.13   0.035% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.09 +/- 1.35   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.74 +/- 0.93   0.012% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.87 +/- 1.18   0.060% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.18 +/- 0.89   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.45 +/- 1.75   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.54 +/- 0.42   0.022% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.65 +/- 1.09   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  15.29 +/- 1.27   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.95 +/- 0.43   0.017% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.23 +/- 1.56   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.16 +/- 0.77   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.53 +/- 1.04   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  13.55 +/- 1.41   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.04 +/- 1.09   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.94 +/- 1.42   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.63 +/- 0.70   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.46 +/- 0.80   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.21 +/- 1.63   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.39 +/- 1.61   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.90 +/- 1.56   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.01 +/- 0.96   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 220.2:
    * O T QD1   LEU  104 - QD2   LEU  104   2.08 +/- 0.03  98.971% * 98.4528% (0.97  10.0 10.00   5.53 220.19) = 100.000%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.12 +/- 0.62   0.644% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.49 +/- 0.74   0.148% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.03 +/- 0.81   0.018% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.83 +/- 0.75   0.108% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.37 +/- 0.44   0.055% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.58 +/- 0.76   0.006% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.09 +/- 0.55   0.016% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.87 +/- 0.76   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  11.81 +/- 0.71   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.18 +/- 0.87   0.009% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  11.24 +/- 1.66   0.006% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.77 +/- 1.26   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  18.66 +/- 3.18   0.000% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  19.03 +/- 4.01   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.02 +/- 1.57   0.004% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  14.73 +/- 3.89   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  17.54 +/- 1.47   0.000% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.37 +/- 0.76   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  14.93 +/- 2.39   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  15.04 +/- 1.63   0.001% *  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 = 42.8:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.80 +/- 0.21  99.825% * 99.5527% (0.95  10.0 10.00   3.18  42.77) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.91 +/- 0.36   0.109% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.20 +/- 0.80   0.052% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.05 +/- 0.70   0.005% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  14.51 +/- 0.88   0.006% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.32 +/- 0.80   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  23.74 +/- 0.97   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.69 +/- 0.84   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.72 +/- 0.86   0.001% *  0.0184% (0.18   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 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.8:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.80 +/- 0.21  99.998% * 99.7814% (0.95  10.0 10.00   3.18  42.77) = 100.000%  kept
          HB    THR   23 - HB2   ASP- 105  23.05 +/- 1.92   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  20.88 +/- 1.69   0.001% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP- 105  26.13 +/- 3.01   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  25.18 +/- 1.37   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   2.18 +/- 0.10  98.700% * 99.1664% (1.00  10.0 10.00   6.31 135.77) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.75 +/- 0.47   1.248% *  0.0860% (0.87   1.0  1.00   0.02  22.95) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.12 +/- 0.57   0.044% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.03 +/- 0.72   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.00 +/- 0.40   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.07 +/- 0.73   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.46 +/- 1.53   0.000% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.57 +/- 0.70   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.20 +/- 1.02   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.27 +/- 0.93   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  20.30 +/- 0.53   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  22.54 +/- 2.55   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.79 +/- 1.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.81 +/- 0.50  99.331% * 98.2431% (1.00  10.0 10.00   5.04 135.77) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.93 +/- 2.03   0.625% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.79 +/- 1.42   0.005% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  22.10 +/- 2.00   0.004% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  15.11 +/- 1.02   0.035% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.15 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   3.92 +/- 0.26  97.950% * 98.5750% (1.00 10.00   4.80 135.77) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.27 +/- 0.50   0.199% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.05 +/- 0.80   0.914% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  12.11 +/- 0.32   0.122% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.84 +/- 0.68   0.250% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.52 +/- 1.61   0.124% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.09 +/- 1.02   0.092% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.93 +/- 1.28   0.176% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.55 +/- 0.76   0.106% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  13.65 +/- 1.03   0.069% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.97, support = 5.07, residual support = 122.0:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.36 +/- 0.34  50.744% * 88.5710% (1.00 10.00   5.27 135.77) =  89.052%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.54 +/- 0.90  49.017% * 11.2723% (0.73  1.00   3.51  10.10) =  10.948%  kept
          HB3   PHE   60 - HA    LYS+ 106  10.95 +/- 1.11   0.205% *  0.0838% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  14.91 +/- 0.62   0.028% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.74 +/- 1.55   0.006% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.18 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.77) = 100.000%  kept
    Distance limit 3.36 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  99.958% * 98.2431% (1.00  10.0 10.00   5.33 135.77) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   9.10 +/- 1.91   0.040% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  19.26 +/- 2.09   0.000% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  19.00 +/- 1.28   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.35 +/- 1.14   0.002% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.23 +/- 0.17  99.899% * 97.1433% (1.00  10.0 10.00   5.07 135.77) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   8.94 +/- 0.98   0.030% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  10.98 +/- 0.50   0.008% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.16 +/- 1.53   0.010% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.12 +/- 0.36   0.013% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.10 +/- 0.87   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.39 +/- 1.28   0.018% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.05 +/- 0.98   0.005% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.48 +/- 0.63   0.011% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.26 +/- 0.65   0.007% *  0.0399% (0.41   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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 5.36, residual support = 130.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.14 +/- 0.54  90.648% * 69.7145% (1.00 10.00   5.55 135.77) =  95.769%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.27 +/- 1.00   9.257% * 30.1622% (0.73 10.00   1.19  10.10) =   4.231%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.09 +/- 1.23   0.071% *  0.0659% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.37 +/- 0.67   0.020% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.68 +/- 1.57   0.004% *  0.0094% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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   3.81 +/- 0.50  99.991% * 99.1803% (1.00  10.0 10.00   5.04 135.77) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.79 +/- 1.42   0.005% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  22.10 +/- 2.00   0.004% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.729, support = 5.42, residual support = 134.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  27.633% * 54.3218% (1.00  10.0 10.00   5.33 135.77) =  52.843%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.32 +/- 0.12  24.953% * 31.1646% (0.57  10.0 10.00   5.66 148.26) =  27.376%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  47.116% * 11.9258% (0.22  10.0 10.00   5.29 110.48) =  19.780%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.21 +/- 0.74   0.088% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.36 +/- 0.55   0.069% *  0.0471% (0.87   1.0  1.00   0.02  22.95) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.91 +/- 0.85   0.127% *  0.0135% (0.25   1.0  1.00   0.02   0.27) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.50 +/- 1.31   0.008% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.14 +/- 1.27   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.64 +/- 1.15   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  19.00 +/- 1.28   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  23.17 +/- 3.45   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.82 +/- 0.92   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  19.26 +/- 2.09   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.66 +/- 0.76   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  24.83 +/- 3.41   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  22.36 +/- 2.41   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.85 +/- 2.17   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.66 +/- 2.46   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.35 +/- 2.93   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.78 +/- 1.44   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.97 +/- 0.98   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.95 +/- 1.28   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.30 +/- 1.32   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.45 +/- 1.51   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.04 +/- 1.23   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  21.74 +/- 1.57   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.50 +/- 1.58   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.23 +/- 0.98   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  20.50 +/- 2.81   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.59 +/- 1.42   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.77 +/- 1.63   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  25.88 +/- 2.98   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.74 +/- 1.66   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  26.00 +/- 2.03   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.81 +/- 1.70   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.51 +/- 1.25   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.89 +/- 1.50   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  27.69 +/- 1.67   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  30.98 +/- 2.43   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   2.23 +/- 0.09  99.940% * 96.6493% (1.00  10.0 10.00   4.12 135.77) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.17 +/- 0.61   0.004% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  14.42 +/- 1.61   0.002% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.61 +/- 1.49   0.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  12.02 +/- 1.45   0.006% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  11.63 +/- 1.01   0.006% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.00 +/- 0.62   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.40 +/- 1.86   0.003% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.58 +/- 0.60   0.006% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.93 +/- 1.78   0.002% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  20.63 +/- 1.77   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.52 +/- 0.90   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  20.49 +/- 2.48   0.000% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  14.34 +/- 1.97   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.40 +/- 0.87   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  15.59 +/- 1.30   0.001% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  16.17 +/- 1.62   0.001% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.64 +/- 1.62   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.30 +/- 1.10   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  26.69 +/- 2.13   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.98 +/- 0.61   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  22.54 +/- 1.32   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  23.34 +/- 2.95   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.68 +/- 1.51   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.48 +/- 3.21   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  27.03 +/- 1.49   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  32.10 +/- 2.24   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  26.76 +/- 3.11   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  28.23 +/- 2.40   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  30.30 +/- 1.51   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.97 +/- 0.22  96.377% * 98.7341% (1.00  10.0 10.00   4.57 135.77) =  99.998%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.48 +/- 1.38   3.169% *  0.0717% (0.73   1.0  1.00   0.02  10.10) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.79 +/- 0.72   0.364% *  0.0081% (0.08   1.0  1.00   0.02   1.47) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.44 +/- 0.73   0.060% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.33 +/- 1.40   0.010% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  20.37 +/- 1.76   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.12 +/- 1.46   0.005% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  21.43 +/- 2.73   0.001% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.97 +/- 1.47   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  16.44 +/- 3.16   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.59 +/- 1.73   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.08 +/- 0.61   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.81 +/- 2.03   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  24.10 +/- 2.18   0.000% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  27.72 +/- 3.59   0.000% *  0.0029% (0.03   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 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   3.92 +/- 0.26  99.797% * 99.1942% (0.99 10.00   4.80 135.77) =  99.998%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.27 +/- 0.50   0.203% *  0.8058% (0.81 10.00   0.02   0.02) =   0.002%
    Distance limit 4.88 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 = 5.07, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.23 +/- 0.17  98.324% * 96.5416% (0.99  10.0 10.00   5.07 135.77) =  99.999%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.12 +/- 1.03   0.949% *  0.0837% (0.86   1.0  1.00   0.02  22.95) =   0.001%
          HB    ILE  103 - QD    LYS+ 106   6.51 +/- 0.90   0.381% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   6.73 +/- 1.10   0.258% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.98 +/- 0.50   0.007% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  12.82 +/- 0.99   0.003% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.89 +/- 0.89   0.031% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.30 +/- 0.36   0.020% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.67 +/- 1.67   0.011% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.16 +/- 1.08   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.62 +/- 0.85   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.75 +/- 0.98   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.77 +/- 1.33   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.05 +/- 1.45   0.000% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  18.40 +/- 1.44   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  20.71 +/- 2.97   0.000% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.85 +/- 1.57   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.07 +/- 1.11   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.84 +/- 1.48   0.000% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.38 +/- 0.98   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.90 +/- 1.05   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  26.99 +/- 2.59   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.35 +/- 0.75   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.22 +/- 0.55   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  27.87 +/- 0.62   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.46 +/- 0.61   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.23 +/- 0.09  99.952% * 96.1045% (0.99  10.0 10.00   4.12 135.77) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.17 +/- 0.61   0.004% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  14.42 +/- 1.61   0.002% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   9.35 +/- 2.38   0.040% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  20.49 +/- 2.48   0.000% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  20.63 +/- 1.77   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  26.69 +/- 2.13   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.34 +/- 1.24   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.84 +/- 1.05   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.04 +/- 1.86   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 = 3.42, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.801% * 98.7514% (0.99  10.0 10.00   3.42 135.77) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.82 +/- 1.07   0.124% *  0.0717% (0.72   1.0  1.00   0.02  10.10) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.93 +/- 1.00   0.006% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.44 +/- 0.71   0.061% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  12.94 +/- 1.03   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.21 +/- 1.59   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.11 +/- 1.47   0.004% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.10 +/- 0.70   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  15.65 +/- 1.27   0.001% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.82 +/- 2.23   0.000% *  0.0134% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.27, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.36 +/- 0.34 100.000% *100.0000% (1.00 10.00   5.27 135.77) = 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 = 0.981, support = 5.29, residual support = 119.5:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.14 +/- 0.54  76.879% * 53.3343% (1.00 10.00   5.55 135.77) =  85.625%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.40 +/- 1.33  14.872% * 46.2637% (0.87 10.00   3.76  22.95) =  14.368%  kept
          HB    ILE  103 - QE    LYS+ 106   5.77 +/- 1.38   8.193% *  0.0427% (0.80  1.00   0.02   0.02) =   0.007%
          HB    ILE   56 - QE    LYS+ 106  13.63 +/- 1.17   0.017% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.96 +/- 1.12   0.018% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.79 +/- 1.41   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.26 +/- 1.28   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.81 +/- 1.66   0.004% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.35 +/- 1.35   0.002% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  19.62 +/- 1.41   0.002% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.22 +/- 1.01   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  21.63 +/- 3.31   0.001% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.23 +/- 1.38   0.003% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.97 +/- 0.22  99.788% * 98.2431% (1.00  10.0 10.00   4.57 135.77) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  10.07 +/- 2.54   0.207% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  21.43 +/- 2.73   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  20.37 +/- 1.76   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.93 +/- 1.02   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.935% * 98.5861% (0.99  10.0 10.00   3.42 135.77) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.93 +/- 1.00   0.006% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.53 +/- 1.68   0.031% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.73 +/- 2.39   0.007% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.74 +/- 1.12   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.51 +/- 0.99   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.33 +/- 1.03   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.45 +/- 1.83   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.55 +/- 1.05   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.31 +/- 1.64   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 = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   3.00 +/- 0.03  99.796% * 99.6302% (0.73  10.0 10.00   3.31  58.22) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.32 +/- 0.85   0.070% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.37 +/- 0.30   0.109% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  12.37 +/- 0.65   0.021% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.47 +/- 1.70   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.45 +/- 1.09   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.24 +/- 0.51   0.001% *  0.0272% (0.20   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 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   3.00 +/- 0.03  98.976% * 99.7511% (0.73  10.0 10.00   3.31  58.22) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.05 +/- 1.47   0.995% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  14.66 +/- 0.81   0.008% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.01 +/- 1.06   0.017% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.78 +/- 0.54   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.85 +/- 0.80   0.002% *  0.0222% (0.16   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 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.74 +/- 0.34  98.949% * 99.4465% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HB2   PRO   93 - HA    VAL  108   6.62 +/- 0.90   1.025% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  12.05 +/- 0.80   0.018% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  15.06 +/- 1.42   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.94 +/- 0.96   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.11 +/- 0.53   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.00 +/- 0.79   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.17 +/- 1.26   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.39 +/- 2.35   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 = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.61 +/- 0.04  99.975% * 99.8607% (1.00  10.0 10.00   3.97  62.13) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.75 +/- 1.20   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  12.71 +/- 0.67   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.33 +/- 0.81   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.62 +/- 1.54   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.53 +/- 0.46  99.877% * 99.7938% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.60 +/- 0.97   0.056% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.76 +/- 1.21   0.061% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.44 +/- 0.25   0.007% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.74 +/- 0.34  97.950% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.53 +/- 0.34   2.040% *  0.0308% (0.31   1.0  1.00   0.02   7.45) =   0.001%
          HA    ALA   47 - HB    VAL  108  14.66 +/- 1.53   0.005% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.66 +/- 1.80   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.64 +/- 1.63   0.001% *  0.0198% (0.20   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 = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.995% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.15 +/- 1.18   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  12.94 +/- 0.73   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.63 +/- 1.10   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.43 +/- 1.72   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 = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.989% * 99.1471% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.01 +/- 0.90   0.006% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.82 +/- 0.20   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.65 +/- 1.17   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.96, residual support = 61.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.61 +/- 0.04  81.842% * 95.2092% (1.00  10.0 10.00   3.97  62.13) =  98.931%  kept
          HA1   GLY  109 - QG1   VAL  108   3.38 +/- 0.23  18.130% *  4.6462% (0.31   1.0  1.00   3.16   7.45) =   1.069%  kept
          HA    ALA   47 - QG1   VAL  108  11.46 +/- 1.53   0.015% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.15 +/- 1.84   0.012% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.41 +/- 1.75   0.002% *  0.0188% (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 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.888% * 99.4465% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   7.07 +/- 0.84   0.108% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.32 +/- 0.60   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  14.18 +/- 1.43   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.83 +/- 1.03   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.43 +/- 0.53   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.65 +/- 0.82   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.69 +/- 0.93   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.50 +/- 1.97   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.03  99.981% * 99.7938% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.12 +/- 0.74   0.008% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.62 +/- 1.14   0.009% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.55 +/- 0.19   0.002% *  0.0963% (0.97   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.53 +/- 0.46  96.692% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.17 +/- 0.37   3.288% *  0.0308% (0.31   1.0  1.00   0.02   7.45) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.90 +/- 1.59   0.011% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.97 +/- 1.61   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.25 +/- 1.58   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.907% * 98.6316% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.36 +/- 0.97   0.085% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.05 +/- 0.64   0.006% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.74 +/- 1.25   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.07 +/- 1.23   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.16 +/- 0.53   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.90 +/- 1.21   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.75 +/- 0.89   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.68 +/- 1.89   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 = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.03  99.983% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  11.33 +/- 0.89   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  10.33 +/- 0.63   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  11.68 +/- 0.94   0.004% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.28 +/- 1.31   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.35:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 98.9563% (1.00  10.0 10.00   2.00   9.35) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.51 +/- 2.31   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  13.10 +/- 1.14   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.45 +/- 0.91   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  17.28 +/- 2.64   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.35:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.630% * 97.8789% (1.00  10.0 10.00   2.00   9.35) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.46 +/- 0.04   0.368% *  0.0302% (0.31   1.0  1.00   0.02   7.45) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.92 +/- 2.57   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.91 +/- 2.43   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  13.38 +/- 1.89   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.14 +/- 0.49   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.87 +/- 1.16   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  99.990% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  11.63 +/- 2.76   0.006% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.53 +/- 0.96   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.78 +/- 2.71   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.02 +/- 2.41   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.09 +/- 2.50   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.61 +/- 3.79   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.24 +/- 4.21   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.62 +/- 2.07   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.65 +/- 1.10   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.88 +/- 2.47   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.31 +/- 1.75   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   2.13 +/- 0.01  99.450% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   6.85 +/- 2.16   0.245% *  0.0857% (0.87   1.0  1.00   0.02   0.28) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.31 +/- 1.13   0.238% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  11.63 +/- 2.76   0.006% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   8.38 +/- 0.53   0.029% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.82 +/- 1.44   0.004% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   9.45 +/- 1.51   0.019% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.96 +/- 0.42   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.09 +/- 0.70   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.76 +/- 1.00   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.87 +/- 0.92   0.000% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.38 +/- 1.63   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.0:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.64 +/- 0.17  94.741% * 98.9314% (1.00  10.0 10.00   7.98 315.02) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.36 +/- 0.39   5.237% *  0.0560% (0.57   1.0  1.00   0.02   0.19) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  10.91 +/- 0.84   0.021% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.92 +/- 1.16   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.19 +/- 1.14   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.14 +/- 1.25   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  25.31 +/- 1.52   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.58 +/- 1.21   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  27.77 +/- 1.94   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  25.13 +/- 1.51   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.07 +/- 1.19   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.49 +/- 1.24   0.000% *  0.0275% (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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   2.88 +/- 0.59  97.826% * 99.2615% (1.00  10.0 10.00   7.31 315.02) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.27 +/- 1.77   2.068% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  14.29 +/- 1.28   0.017% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  13.86 +/- 1.57   0.016% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.29 +/- 1.92   0.047% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  17.73 +/- 2.30   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  15.92 +/- 0.87   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  18.16 +/- 2.00   0.006% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.46 +/- 4.10   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.66 +/- 1.60   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.07 +/- 1.09   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.62 +/- 1.57   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.44 +/- 1.61   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 7.3, residual support = 313.2:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   3.25 +/- 0.52  94.341% * 89.7132% (1.00  10.0 10.00   7.31 315.02) =  99.359%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.32 +/- 1.05   5.609% *  9.7358% (0.38   1.0  1.00   5.78  27.98) =   0.641%  kept
          HG12  ILE   89 - HA    LYS+ 111  19.33 +/- 4.15   0.043% *  0.0889% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  17.99 +/- 1.25   0.004% *  0.3367% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.08 +/- 1.15   0.001% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.78 +/- 1.35   0.001% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.40 +/- 1.31   0.001% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.98 +/- 1.23   0.001% *  0.0178% (0.20   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 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.33 +/- 0.81  95.357% * 98.3525% (1.00 10.00   6.21 315.02) =  99.996%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.10 +/- 2.16   3.976% *  0.0853% (0.87  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 111   9.85 +/- 1.77   0.471% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.08 +/- 1.17   0.166% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.89 +/- 1.60   0.002% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  16.72 +/- 0.82   0.011% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.71 +/- 1.76   0.006% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  20.46 +/- 1.47   0.003% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  26.76 +/- 1.81   0.001% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.67 +/- 1.13   0.003% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.15 +/- 4.32   0.003% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   2.98 +/- 0.70  99.844% * 98.5544% (1.00 10.00   6.21 315.02) = 100.000%  kept
          QB    ALA   57 - HA    LYS+ 111  11.14 +/- 0.83   0.107% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.71 +/- 1.76   0.006% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.95 +/- 0.79   0.029% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.94 +/- 1.10   0.007% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.53 +/- 1.24   0.000% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.18 +/- 1.13   0.005% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.15 +/- 4.32   0.002% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.09 +/- 0.43  99.968% * 99.8490% (1.00 10.00   5.62 315.02) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.50 +/- 1.85   0.031% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  23.56 +/- 1.32   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.0:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.64 +/- 0.17  99.979% * 99.7221% (1.00  10.0 10.00   7.98 315.02) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.28 +/- 1.37   0.021% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.92 +/- 1.16   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.33 +/- 1.27   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 = 315.0:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.83 +/- 0.24  99.392% * 98.9173% (1.00  10.0 10.00   7.31 315.02) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.29 +/- 0.18   0.392% *  0.0197% (0.20   1.0  1.00   0.02  48.69) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.51 +/- 1.91   0.127% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.17 +/- 2.00   0.010% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.36 +/- 1.89   0.008% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  14.69 +/- 1.22   0.006% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  18.67 +/- 2.56   0.005% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.37 +/- 2.18   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.80 +/- 0.77   0.008% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.82 +/- 1.06   0.013% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.95 +/- 1.24   0.006% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  19.25 +/- 2.28   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.66 +/- 1.47   0.004% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.89 +/- 1.78   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  24.55 +/- 4.34   0.001% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  19.06 +/- 3.85   0.002% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.87 +/- 1.84   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.12 +/- 0.93   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.08 +/- 2.11   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.24 +/- 1.75   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.97 +/- 0.61   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  19.17 +/- 2.37   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  29.44 +/- 2.18   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  22.46 +/- 2.83   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.34 +/- 1.82   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  21.47 +/- 1.18   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.0:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.73 +/- 0.21  96.762% * 98.4912% (1.00  10.0 10.00   7.29 315.02) = 100.000%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.51 +/- 1.18   0.450% *  0.0370% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          HG    LEU   71 - HG3   GLN   30   6.44 +/- 1.30   1.472% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   6.75 +/- 1.29   1.048% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.60 +/- 0.68   0.250% *  0.0039% (0.04   1.0  1.00   0.02  13.88) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  13.34 +/- 0.73   0.008% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.74 +/- 1.68   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  20.38 +/- 4.28   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  25.07 +/- 1.88   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.04 +/- 1.86   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.86 +/- 1.70   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.98 +/- 2.03   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.57 +/- 2.12   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.75 +/- 1.73   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  22.60 +/- 3.91   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  29.29 +/- 1.80   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 = 315.0:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.95 +/- 0.33  98.373% * 97.6852% (1.00  10.0 10.00   6.62 315.02) =  99.999%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.83 +/- 2.19   1.085% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB2   LYS+ 111  11.14 +/- 1.73   0.126% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.09 +/- 2.02   0.104% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   GLN   30   8.15 +/- 0.87   0.266% *  0.0176% (0.18   1.0  1.00   0.02   4.71) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.64 +/- 2.07   0.001% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.11 +/- 0.81   0.011% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.59 +/- 1.25   0.006% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  18.96 +/- 2.28   0.004% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  17.46 +/- 1.39   0.004% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  20.68 +/- 1.85   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.51 +/- 1.79   0.002% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.40 +/- 1.37   0.008% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  25.75 +/- 2.29   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.80 +/- 1.72   0.003% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  23.47 +/- 1.08   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  19.12 +/- 1.53   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.51 +/- 1.92   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.22 +/- 4.44   0.002% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.10 +/- 0.98   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.43 +/- 3.11   0.002% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.79 +/- 2.32   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 0.06 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.976, support = 6.44, residual support = 305.8:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   2.91 +/- 0.73  69.073% * 92.1301% (1.00  10.0 10.00   6.62 315.02) =  97.066%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.22 +/- 1.25  30.886% *  6.2279% (0.18   1.0 10.00   0.75   0.27) =   2.934%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.25 +/- 1.17   0.015% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  18.96 +/- 2.28   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.40 +/- 1.40   0.011% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  16.89 +/- 1.49   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  13.53 +/- 0.80   0.006% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.31 +/- 1.76   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.92 +/- 1.67   0.001% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.80 +/- 1.72   0.001% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.22 +/- 4.44   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  19.11 +/- 0.72   0.001% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.48 +/- 2.20   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.43 +/- 3.11   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.20 +/- 2.48   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.82 +/- 1.35   0.000% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.0:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.55 +/- 0.75  91.386% * 99.6189% (1.00 10.00   6.06 315.02) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   6.09 +/- 0.83   8.546% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  14.30 +/- 1.99   0.054% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.00 +/- 0.84   0.011% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.76 +/- 1.57   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  23.86 +/- 1.77   0.002% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   2.88 +/- 0.59  99.932% * 99.9354% (1.00  10.0 10.00   7.31 315.02) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  10.59 +/- 1.59   0.068% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.83 +/- 0.24  85.898% * 98.9314% (1.00  10.0 10.00   7.31 315.02) =  99.991%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.37 +/- 1.17  14.085% *  0.0560% (0.57   1.0  1.00   0.02   0.19) =   0.009%
          HB    ILE  119 - HG2   LYS+ 111  12.18 +/- 1.11   0.016% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.08 +/- 2.11   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.33 +/- 2.04   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.08 +/- 2.11   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.15 +/- 2.29   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.42 +/- 2.45   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  27.54 +/- 2.15   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  26.13 +/- 2.33   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.12 +/- 2.01   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.26 +/- 2.20   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.0:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.987% * 98.1828% (1.00  10.0 10.00   6.98 315.02) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.77 +/- 1.11   0.012% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  18.75 +/- 4.06   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  18.70 +/- 2.08   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.75 +/- 2.40   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.46 +/- 2.13   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.80 +/- 2.37   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.68 +/- 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 = 315.0:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   3.00 +/- 0.04  99.245% * 97.1375% (1.00  10.0 10.00   6.21 315.02) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.16 +/- 2.18   0.120% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   8.86 +/- 1.88   0.483% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111   9.58 +/- 1.60   0.142% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.70 +/- 1.95   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.26 +/- 2.35   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.16 +/- 2.40   0.002% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.79 +/- 1.06   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  20.68 +/- 2.34   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  26.70 +/- 2.52   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.94 +/- 4.24   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.63 +/- 0.17  99.980% * 97.8296% (1.00  10.0 10.00   6.21 315.02) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.57 +/- 1.39   0.012% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  18.99 +/- 1.91   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.16 +/- 2.40   0.001% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.33 +/- 1.44   0.005% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.73 +/- 2.14   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.10 +/- 1.32   0.001% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.94 +/- 4.24   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.30 +/- 0.37  99.975% * 99.8490% (1.00  10.0 10.00   5.62 315.02) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  13.53 +/- 2.12   0.025% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  23.76 +/- 2.13   0.000% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   3.25 +/- 0.52  99.884% * 99.8218% (1.00  10.0 10.00   7.31 315.02) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.13 +/- 1.34   0.094% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.99 +/- 1.25   0.005% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.81 +/- 1.41   0.018% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.0:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.73 +/- 0.21  83.414% * 98.2440% (1.00  10.0 10.00   7.29 315.02) =  99.989%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.11 +/- 1.19  16.373% *  0.0556% (0.57   1.0  1.00   0.02   0.19) =   0.011%
        T HB    ILE   19 - HG2   LYS+  74   8.71 +/- 0.92   0.115% *  0.0511% (0.05   1.0 10.00   0.02   7.69) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74   9.89 +/- 0.93   0.045% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  13.34 +/- 0.73   0.007% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.13 +/- 1.22   0.014% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.14 +/- 2.16   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.74 +/- 1.68   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  13.87 +/- 0.76   0.006% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.98 +/- 2.03   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.70 +/- 1.05   0.004% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.49 +/- 0.84   0.011% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.27 +/- 2.31   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.51 +/- 1.74   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.13 +/- 1.92   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.42 +/- 2.27   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.88 +/- 1.29   0.002% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  27.46 +/- 2.31   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  26.08 +/- 2.25   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.12 +/- 1.60   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.09 +/- 1.37   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  26.86 +/- 2.35   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.98 +/- 1.97   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.86 +/- 0.95   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 = 315.0:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  97.639% * 98.9181% (1.00  10.0 10.00   6.98 315.02) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.19 +/- 1.43   2.303% *  0.0077% (0.08   1.0  1.00   0.02   6.00) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   9.16 +/- 2.21   0.015% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.00 +/- 0.82   0.031% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.09 +/- 1.33   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.46 +/- 2.02   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.55 +/- 2.17   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  17.05 +/- 2.65   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  18.70 +/- 2.08   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  13.05 +/- 2.67   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.64 +/- 2.21   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.50 +/- 1.25   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  16.48 +/- 1.09   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.08 +/- 1.08   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  18.05 +/- 2.36   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  12.50 +/- 1.65   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  18.97 +/- 2.06   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.48 +/- 4.59   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.73 +/- 1.60   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  23.68 +/- 2.22   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.74 +/- 1.52   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  16.75 +/- 1.06   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  16.29 +/- 1.43   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.02 +/- 2.20   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.05 +/- 2.60   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.55 +/- 1.27   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.0:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.44 +/- 0.17  99.076% * 96.7411% (1.00  10.0 10.00   5.40 315.02) =  99.999%  kept
          HG3   PRO   93 - HG3   LYS+ 111   9.23 +/- 2.35   0.468% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111   9.67 +/- 2.35   0.054% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   9.66 +/- 1.73   0.056% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.65 +/- 0.45   0.304% *  0.0093% (0.10   1.0  1.00   0.02  43.47) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.37 +/- 2.06   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.20 +/- 1.88   0.016% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  20.78 +/- 2.43   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.69 +/- 1.16   0.002% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.12 +/- 2.23   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.38 +/- 2.30   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.03 +/- 1.40   0.009% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  17.70 +/- 1.15   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  20.63 +/- 2.34   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.30 +/- 1.13   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.26 +/- 1.15   0.005% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.39 +/- 2.63   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.15 +/- 0.97   0.000% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.20 +/- 1.82   0.005% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.15 +/- 1.78   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.02 +/- 4.72   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.45 +/- 1.73   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.936, support = 5.41, residual support = 306.1:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.26  54.158% * 89.7666% (1.00  10.0 10.00   5.40 315.02) =  92.991%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.91 +/- 0.15  45.728% *  8.0133% (0.09  10.0 10.00   5.54 187.17) =   7.009%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.95 +/- 1.22   0.008% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   8.82 +/- 0.71   0.071% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.14 +/- 1.83   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.20 +/- 1.88   0.016% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.18 +/- 0.97   0.002% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.38 +/- 2.30   0.001% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.04 +/- 1.53   0.005% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.93 +/- 2.50   0.001% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.61 +/- 2.11   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.04 +/- 1.46   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.20 +/- 1.82   0.007% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.02 +/- 4.72   0.001% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.03 +/- 1.95   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.00 +/- 1.33   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 = 315.0:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.36  99.256% * 99.7265% (1.00  10.0 10.00   5.44 315.02) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   7.80 +/- 0.70   0.408% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   8.11 +/- 0.63   0.318% *  0.0060% (0.06   1.0  1.00   0.02   9.41) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.56 +/- 2.32   0.017% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.15 +/- 1.74   0.002% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  23.73 +/- 2.10   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 = 315.0:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.33 +/- 0.81  99.799% * 99.4172% (1.00 10.00   6.21 315.02) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.41 +/- 1.91   0.181% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.71 +/- 1.76   0.006% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.89 +/- 1.60   0.002% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.35 +/- 1.27   0.009% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.76 +/- 1.81   0.001% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.67 +/- 1.43   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.95 +/- 1.80   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 6.61, residual support = 315.0:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.95 +/- 0.33  51.331% * 97.9440% (1.00  10.0 10.00   6.62 315.02) =  99.986%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.46 +/- 1.39  10.912% *  0.0555% (0.57   1.0  1.00   0.02   0.19) =   0.012%
          HB3   GLU- 100 - QD    LYS+  38   3.90 +/- 1.99  34.914% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   7.36 +/- 1.85   1.069% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   6.99 +/- 1.21   0.950% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.32 +/- 2.31   0.341% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.32 +/- 1.56   0.268% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.79 +/- 1.72   0.077% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  18.96 +/- 2.28   0.002% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.46 +/- 1.39   0.002% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.40 +/- 1.13   0.012% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.11 +/- 0.81   0.006% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.64 +/- 2.07   0.001% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.12 +/- 1.42   0.019% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.80 +/- 1.72   0.002% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  13.45 +/- 2.47   0.026% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  14.46 +/- 1.69   0.009% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.99 +/- 2.25   0.010% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.61 +/- 1.37   0.013% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.51 +/- 1.92   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.13 +/- 1.52   0.003% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.80 +/- 1.36   0.005% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.86 +/- 1.11   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.45 +/- 1.91   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.88 +/- 1.49   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.28 +/- 0.82   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.56 +/- 1.12   0.010% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.15 +/- 1.13   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.91 +/- 1.71   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.37 +/- 1.46   0.001% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.35 +/- 0.98   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.47 +/- 2.09   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  25.75 +/- 2.29   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  18.61 +/- 1.78   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  27.10 +/- 2.01   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  29.15 +/- 2.74   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.01 +/- 1.69   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.24 +/- 1.36   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.60 +/- 0.80   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.83 +/- 1.52   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.78 +/- 2.07   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.00 +/- 1.66   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.57 +/- 1.85   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.65 +/- 0.67   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.16 +/- 1.90   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  20.96 +/- 1.69   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.40 +/- 1.24   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.43 +/- 2.00   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.816, support = 6.12, residual support = 296.7:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   3.00 +/- 0.04  19.669% * 90.8110% (1.00  10.0 10.00   6.21 315.02) =  80.461%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.36 +/- 0.18  79.223% *  5.4729% (0.06  10.0 10.00   5.75 221.56) =  19.531%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.39 +/- 2.81   0.407% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  99 - QD    LYS+ 102   7.59 +/- 0.94   0.116% *  0.2129% (0.23   1.0 10.00   0.02   1.77) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  38   6.11 +/- 0.92   0.382% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+ 102  10.74 +/- 1.52   0.013% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.38 +/- 1.19   0.073% *  0.0106% (0.12   1.0  1.00   0.02   2.67) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.18 +/- 0.74   0.063% *  0.0116% (0.13   1.0  1.00   0.02   1.82) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  13.04 +/- 1.66   0.005% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  18.16 +/- 3.22   0.003% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.90 +/- 2.26   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.36 +/- 1.72   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.11 +/- 1.29   0.007% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.75 +/- 2.77   0.004% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.35 +/- 1.21   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.83 +/- 1.80   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.26 +/- 2.35   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.24 +/- 1.94   0.014% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.16 +/- 2.40   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.45 +/- 1.16   0.001% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.23 +/- 0.75   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  19.17 +/- 2.94   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.41 +/- 2.09   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.81 +/- 1.18   0.002% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.14 +/- 1.37   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.92 +/- 4.97   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.34 +/- 2.12   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  17.85 +/- 1.06   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.50 +/- 1.87   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.27 +/- 0.94   0.000% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.65 +/- 1.27   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.04 +/- 2.15   0.001% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.18 +/- 1.62   0.002% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.91 +/- 1.67   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.70 +/- 2.52   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.11 +/- 1.33   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.69 +/- 2.05   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  25.96 +/- 5.00   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.81 +/- 1.15   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.83 +/- 1.30   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.63 +/- 1.38   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.03 +/- 1.29   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  23.08 +/- 2.31   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  19.62 +/- 1.34   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  23.01 +/- 2.20   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.62 +/- 1.15   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.57 +/- 1.24   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  27.88 +/- 4.08   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.26 +/- 1.71   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.71 +/- 0.88   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  26.94 +/- 2.71   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  25.49 +/- 2.30   0.000% *  0.0023% (0.03   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 = 315.0:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.44 +/- 0.17  98.956% * 98.1177% (1.00  10.0 10.00   5.40 315.02) = 100.000%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   7.67 +/- 1.25   0.275% *  0.0875% (0.09   1.0 10.00   0.02   1.77) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.34 +/- 0.78   0.512% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.46 +/- 1.63   0.154% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.20 +/- 1.88   0.016% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  20.20 +/- 5.05   0.007% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.12 +/- 2.23   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  20.78 +/- 2.43   0.000% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.38 +/- 2.30   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.36 +/- 1.85   0.025% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.32 +/- 1.68   0.015% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.04 +/- 1.15   0.016% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.53 +/- 1.97   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.63 +/- 1.62   0.006% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.18 +/- 1.25   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.83 +/- 1.41   0.002% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.11 +/- 1.46   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.15 +/- 0.97   0.000% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.34 +/- 1.20   0.002% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.15 +/- 1.78   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.37 +/- 1.60   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.39 +/- 2.63   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.66 +/- 1.89   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.37 +/- 1.41   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.98 +/- 1.84   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  24.83 +/- 2.98   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.34 +/- 0.89   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.94 +/- 2.07   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  24.71 +/- 1.66   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.70 +/- 2.03   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  28.71 +/- 3.43   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.13 +/- 2.12   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.44 +/- 0.14  99.991% * 99.2899% (1.00  10.0 10.00   4.97 315.02) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.16 +/- 2.65   0.003% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.28 +/- 1.96   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.89 +/- 1.80   0.001% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.86 +/- 1.35   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  19.09 +/- 1.23   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.19 +/- 1.56   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.45 +/- 1.16   0.001% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.22 +/- 1.87   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.29 +/- 2.21   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.36 +/- 0.83   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.19 +/- 1.34   0.000% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   2.98 +/- 0.70  99.743% * 98.7339% (1.00 10.00   6.21 315.02) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  11.13 +/- 1.54   0.243% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.71 +/- 1.76   0.006% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.53 +/- 1.24   0.000% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.35 +/- 1.27   0.007% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.56 +/- 1.35   0.000% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.963, support = 6.23, residual support = 294.2:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   2.91 +/- 0.73  62.145% * 83.7662% (1.00  10.0 10.00   6.62 315.02) =  93.393%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.22 +/- 1.25  26.846% * 13.7016% (0.44   1.0 10.00   0.75   0.27) =   6.599%  kept
          QB    GLU- 114 - HD3   LYS+ 111   4.61 +/- 1.43   7.505% *  0.0474% (0.57   1.0  1.00   0.02   0.19) =   0.006%
          HB2   GLN   30 - QD    LYS+  33   5.68 +/- 1.07   2.114% *  0.0167% (0.20   1.0  1.00   0.02   0.27) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   7.36 +/- 1.85   0.750% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.32 +/- 2.31   0.236% *  0.0180% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.17 +/- 1.00   0.106% *  0.0365% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.32 +/- 1.56   0.149% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  33  10.93 +/- 1.75   0.023% *  0.0744% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.97 +/- 1.55   0.011% *  0.0673% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.79 +/- 1.72   0.053% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.54 +/- 1.55   0.005% *  0.0744% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.18 +/- 1.19   0.013% *  0.0209% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.73 +/- 2.19   0.003% *  0.0651% (0.78   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  18.96 +/- 2.28   0.001% *  0.2074% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  12.42 +/- 1.25   0.007% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.12 +/- 1.42   0.011% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.80 +/- 1.72   0.001% *  0.1009% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  14.70 +/- 2.08   0.003% *  0.0309% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.31 +/- 1.76   0.000% *  0.7506% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.61 +/- 1.37   0.011% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.48 +/- 2.20   0.000% *  0.4077% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.88 +/- 1.49   0.002% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.24 +/- 2.19   0.000% *  0.0830% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.20 +/- 1.28   0.000% *  0.0425% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  26.80 +/- 1.97   0.000% *  0.0830% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.37 +/- 2.39   0.000% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  29.10 +/- 3.03   0.000% *  0.0751% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.04 +/- 2.19   0.000% *  0.0727% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.83 +/- 1.52   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.00 +/- 1.66   0.000% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.01 +/- 1.58   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.76 +/- 2.10   0.000% *  0.0344% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.40 +/- 1.24   0.000% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.56 +/- 2.13   0.000% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.38 +/- 1.95   0.000% *  0.0233% (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 = 315.0:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.63 +/- 0.17  98.086% * 96.9774% (1.00  10.0 10.00   6.21 315.02) =  99.999%  kept
          HB3   PRO   93 - HD3   LYS+ 111  10.20 +/- 2.75   1.482% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  33   7.83 +/- 0.97   0.189% *  0.0861% (0.89   1.0  1.00   0.02   0.55) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.18 +/- 0.74   0.138% *  0.0201% (0.21   1.0  1.00   0.02   1.82) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.43 +/- 0.58   0.030% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.59 +/- 0.87   0.006% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.03 +/- 1.02   0.008% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  15.75 +/- 2.50   0.003% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.35 +/- 1.21   0.001% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.11 +/- 1.29   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.25 +/- 2.02   0.003% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  18.17 +/- 3.19   0.004% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.56 +/- 2.84   0.010% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.16 +/- 2.40   0.001% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.34 +/- 1.16   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.13 +/- 1.25   0.002% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.41 +/- 2.09   0.001% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  16.56 +/- 1.26   0.002% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.81 +/- 1.18   0.007% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.73 +/- 2.14   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  19.07 +/- 2.94   0.002% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  20.63 +/- 3.39   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.76 +/- 4.96   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  21.09 +/- 2.37   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.66 +/- 2.03   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.65 +/- 1.27   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.25 +/- 2.06   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.33 +/- 0.82   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.03 +/- 1.81   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.18 +/- 1.62   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  23.16 +/- 2.47   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.11 +/- 1.33   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.26 +/- 1.21   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.81 +/- 1.15   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.77 +/- 2.23   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.03 +/- 1.29   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.62 +/- 1.15   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.51 +/- 2.18   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  23.57 +/- 1.24   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.0:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.82 +/- 0.26  94.450% * 97.4498% (1.00  10.0 10.00   5.40 315.02) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   6.18 +/- 1.37   3.883% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    LYS+  33   6.97 +/- 1.06   0.745% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   8.13 +/- 1.28   0.458% *  0.0366% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.12 +/- 1.45   0.317% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.20 +/- 1.88   0.029% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  20.13 +/- 5.07   0.019% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.18 +/- 0.97   0.005% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  19.93 +/- 2.50   0.002% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.36 +/- 1.85   0.054% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.38 +/- 2.30   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.81 +/- 0.90   0.008% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.63 +/- 1.62   0.013% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.18 +/- 1.25   0.002% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.61 +/- 2.11   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.11 +/- 1.46   0.009% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  23.83 +/- 3.34   0.000% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.37 +/- 1.60   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.66 +/- 2.19   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.72 +/- 2.00   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.00 +/- 2.16   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  24.71 +/- 1.66   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  26.84 +/- 2.32   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  28.52 +/- 1.84   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.32 +/- 0.13  99.946% * 98.5534% (1.00  10.0 10.00   4.97 315.02) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.28 +/- 1.03   0.041% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.05 +/- 2.82   0.009% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.89 +/- 1.80   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.28 +/- 1.54   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.66 +/- 0.96   0.000% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.86 +/- 1.35   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.19 +/- 1.56   0.001% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.21 +/- 2.47   0.000% *  0.0558% (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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.09 +/- 0.43  99.724% * 99.9354% (1.00 10.00   5.62 315.02) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.64 +/- 1.60   0.276% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.55 +/- 0.75  81.281% * 98.9314% (1.00 10.00   6.06 315.02) =  99.987%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.75 +/- 1.10  18.634% *  0.0560% (0.57  1.00   0.02   0.19) =   0.013%
          HB    ILE  119 - QE    LYS+ 111  11.82 +/- 0.99   0.074% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.76 +/- 1.57   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.95 +/- 1.47   0.002% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.52 +/- 1.37   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.16 +/- 1.67   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  26.13 +/- 2.16   0.001% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.86 +/- 1.68   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.63 +/- 1.69   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.04 +/- 1.54   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.92 +/- 1.59   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.30 +/- 0.37  96.507% * 99.2615% (1.00  10.0 10.00   5.62 315.02) =  99.999%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.17 +/- 2.09   3.471% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  14.45 +/- 1.65   0.003% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.16 +/- 1.25   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  15.41 +/- 1.35   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.98 +/- 1.94   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.82 +/- 2.25   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.80 +/- 2.08   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.93 +/- 1.61   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.04 +/- 3.61   0.000% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.00 +/- 1.39   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.08 +/- 1.66   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.74 +/- 1.81   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 0.01 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.0:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.92 +/- 0.36  98.168% * 99.3524% (1.00  10.0 10.00   5.44 315.02) =  99.999%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.36 +/- 1.62   1.812% *  0.0373% (0.38   1.0  1.00   0.02  27.98) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  17.73 +/- 3.82   0.016% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.15 +/- 1.74   0.002% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.73 +/- 1.70   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.47 +/- 1.54   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.67 +/- 1.61   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.50 +/- 1.61   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 0.12 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.44 +/- 0.14  99.530% * 98.3525% (1.00  10.0 10.00   4.97 315.02) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.79 +/- 2.08   0.366% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   9.55 +/- 1.96   0.074% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  10.39 +/- 1.71   0.027% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.28 +/- 1.96   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.75 +/- 1.05   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.89 +/- 1.80   0.001% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.10 +/- 1.98   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.22 +/- 1.87   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.80 +/- 1.32   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.75 +/- 3.95   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.32 +/- 0.13  99.985% * 98.5544% (1.00  10.0 10.00   4.97 315.02) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.83 +/- 1.13   0.010% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.89 +/- 1.80   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.95 +/- 1.28   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.35 +/- 1.60   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.28 +/- 1.54   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.88 +/- 1.13   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.75 +/- 3.95   0.001% *  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 = 232.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.86 +/- 0.12  98.558% * 98.3538% (1.00  10.0 10.00   6.00 232.09) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.51 +/- 1.79   1.398% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    LYS+ 112  16.13 +/- 0.60   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.43 +/- 0.44   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.47 +/- 1.50   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.80 +/- 1.65   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  13.71 +/- 0.82   0.009% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.50 +/- 1.29   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  19.36 +/- 1.59   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.14 +/- 0.55   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.44 +/- 1.43   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.45 +/- 1.32   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  29.19 +/- 1.07   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.51 +/- 1.04   0.000% *  0.0517% (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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 232.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.25 +/- 0.53  99.878% * 99.8441% (1.00  10.0 10.00   6.08 232.09) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.74 +/- 0.46   0.064% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  12.32 +/- 1.32   0.058% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.86 +/- 0.68  99.735% * 99.8009% (1.00  10.0 10.00   5.76 232.09) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.56 +/- 1.44   0.126% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.75 +/- 0.33   0.132% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.72 +/- 0.68   0.005% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  19.86 +/- 0.89   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.822, support = 6.02, residual support = 232.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.57 +/- 0.28  79.829% * 43.2573% (0.76  10.0 10.00   6.20 232.09) =  75.340%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.10 +/- 1.02  19.969% * 56.6026% (1.00   1.0 10.00   5.49 232.09) =  24.660%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   7.08 +/- 0.33   0.182% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  10.92 +/- 0.73   0.019% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  21.32 +/- 3.39   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.50 +/- 0.75   0.000% *  0.0561% (0.99   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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.86 +/- 0.12  99.659% * 98.8850% (1.00  10.0 10.00   6.00 232.09) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   8.93 +/- 1.73   0.316% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.13 +/- 0.60   0.003% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  12.98 +/- 1.17   0.014% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  15.14 +/- 1.48   0.006% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.40 +/- 1.09   0.002% *  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 = 0.783, support = 4.89, residual support = 126.9:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  79.487% * 40.6012% (0.70  10.0 10.00   4.21  88.36) =  73.184%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.73 +/- 0.27  20.509% * 57.6594% (1.00  10.0 10.00   6.74 232.09) =  26.816%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.95 +/- 1.68   0.002% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.83 +/- 0.55   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.81 +/- 0.36   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.32 +/- 1.10   0.000% *  0.4861% (0.84   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 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.73 +/- 0.27  99.222% * 98.8037% (1.00  10.0 10.00   5.76 232.09) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   7.69 +/- 1.04   0.512% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   8.76 +/- 1.08   0.157% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  10.92 +/- 0.97   0.032% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  17.87 +/- 1.30   0.002% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  10.66 +/- 0.99   0.037% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.21 +/- 0.75   0.026% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  12.96 +/- 1.22   0.011% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  21.61 +/- 0.80   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.09 +/- 0.57   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 6.2, residual support = 232.1:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  95.543% * 42.8460% (0.76  10.0 10.00   6.20 232.09) =  94.316%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.21 +/- 0.55   4.400% * 56.0644% (1.00  10.0 10.00   6.19 232.09) =   5.684%  kept
          HB3   LEU   71 - HB    VAL   42   6.87 +/- 0.87   0.035% *  0.0468% (0.84   1.0  1.00   0.02   2.37) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   7.60 +/- 0.47   0.016% *  0.0210% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.22 +/- 0.54   0.005% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  18.77 +/- 1.73   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.53 +/- 0.69   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.36 +/- 0.84   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.85 +/- 2.13   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  22.35 +/- 3.53   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  20.69 +/- 2.51   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  25.00 +/- 0.88   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 = 232.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.25 +/- 0.53  99.968% * 99.8459% (1.00  10.0 10.00   6.08 232.09) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  14.50 +/- 2.41   0.026% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  17.23 +/- 1.32   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 232.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.73 +/- 0.27  99.773% * 98.3538% (1.00  10.0 10.00   6.74 232.09) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.87 +/- 2.16   0.205% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  18.32 +/- 1.10   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.16 +/- 1.80   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.11 +/- 0.73   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  15.02 +/- 1.21   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.49 +/- 2.06   0.007% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.37 +/- 1.87   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  19.97 +/- 1.96   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.42 +/- 0.89   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.97 +/- 1.68   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.08 +/- 1.41   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  31.25 +/- 1.54   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  29.40 +/- 1.55   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 = 232.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8009% (1.00  10.0 10.00   6.98 232.09) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.42 +/- 1.66   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.74 +/- 0.96   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  21.50 +/- 1.35   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.31 +/- 0.93   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 = 0.861, support = 6.8, residual support = 232.1:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.53 +/- 0.21  65.405% * 43.2573% (0.76  10.0 10.00   6.98 232.09) =  59.130%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.84 +/- 0.28  34.548% * 56.6026% (1.00  10.0 10.00   6.55 232.09) =  40.870%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.77 +/- 0.63   0.042% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.76 +/- 1.22   0.005% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  22.40 +/- 3.26   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  24.46 +/- 1.36   0.000% *  0.0561% (0.99   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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.86 +/- 0.68  99.985% * 99.8459% (1.00  10.0 10.00   5.76 232.09) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.20 +/- 2.72   0.011% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  16.98 +/- 1.33   0.004% *  0.0895% (0.90   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 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.73 +/- 0.27  97.277% * 98.3538% (1.00  10.0 10.00   5.76 232.09) =  99.999%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.32 +/- 2.58   2.698% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HG3   LYS+ 112  17.87 +/- 1.30   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.35 +/- 0.79   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.35 +/- 1.56   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  14.07 +/- 2.12   0.010% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  14.96 +/- 1.02   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  20.90 +/- 2.13   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.62 +/- 2.05   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  19.85 +/- 1.00   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.36 +/- 2.05   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.44 +/- 1.56   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.81 +/- 1.75   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.41 +/- 1.65   0.000% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 232.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.8441% (1.00  10.0 10.00   6.98 232.09) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.33 +/- 1.95   0.002% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  13.17 +/- 1.09   0.001% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 5.69, residual support = 232.1:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.50 +/- 0.15  68.141% * 56.6026% (1.00  10.0 10.00   5.57 232.09) =  73.737%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.86 +/- 0.19  31.758% * 43.2573% (0.76  10.0  1.00   6.02 232.09) =  26.263%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   8.00 +/- 0.90   0.093% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.12 +/- 1.49   0.007% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  21.88 +/- 3.48   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.09 +/- 1.50   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 = 5.49, residual support = 232.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.10 +/- 1.02  99.881% * 99.8459% (1.00 10.00   5.49 232.09) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.01 +/- 2.37   0.098% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.60 +/- 2.20   0.021% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 232.1:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.21 +/- 0.55  96.495% * 98.3538% (1.00  10.0 10.00   6.19 232.09) =  99.998%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.55 +/- 2.30   3.438% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HD2   LYS+ 112  18.77 +/- 1.73   0.004% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.41 +/- 1.47   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  17.65 +/- 2.24   0.006% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  15.20 +/- 1.95   0.015% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.06 +/- 2.15   0.024% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  20.23 +/- 2.29   0.005% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.85 +/- 2.25   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.75 +/- 1.50   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.36 +/- 2.49   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.38 +/- 2.37   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  31.67 +/- 2.27   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.83 +/- 2.15   0.000% *  0.0517% (0.53   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 232.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.84 +/- 0.28  99.951% * 99.8441% (1.00  10.0 10.00   6.55 232.09) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  12.96 +/- 2.25   0.039% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  13.98 +/- 1.43   0.011% *  0.0834% (0.84   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 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 232.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.50 +/- 0.15  99.973% * 99.8009% (1.00  10.0 10.00   5.57 232.09) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.87 +/- 2.18   0.011% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.07 +/- 1.31   0.015% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  21.86 +/- 1.70   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.63 +/- 1.57   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.47 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.27) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.47 +/- 0.11  99.959% * 99.1713% (1.00  10.0 10.00   2.00  14.27) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.22 +/- 1.07   0.014% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113   9.99 +/- 0.67   0.025% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.54 +/- 0.43   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.70 +/- 0.93   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.74 +/- 1.13   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.931, support = 3.25, residual support = 49.1:
    * O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.14  71.118% * 63.8790% (0.97  10.0 10.00   3.14  43.95) =  95.552%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.18  23.947% *  6.0284% (0.09  10.0 10.00   6.17 228.25) =   3.036%  kept
        T QB    GLU- 114 - HA    LEU  115   4.31 +/- 0.43   2.278% * 29.3979% (0.44   1.0 10.00   4.69  15.36) =   1.409%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.81 +/- 1.27   1.478% *  0.0481% (0.73   1.0  1.00   0.02   0.19) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.63 +/- 0.08   0.329% *  0.1310% (0.20   1.0 10.00   0.02  15.36) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   5.95 +/- 1.35   0.837% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.89 +/- 1.44   0.010% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.02 +/- 1.44   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.93 +/- 1.50   0.000% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.93 +/- 0.79   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.27 +/- 1.86   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.93 +/- 1.08   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 1.00   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.17 +/- 0.94   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.82 +/- 1.03   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.54 +/- 1.06   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.39 +/- 1.18   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.96 +/- 1.42   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  25.45 +/- 1.37   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  29.21 +/- 1.65   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.40 +/- 0.87   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  27.44 +/- 1.20   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 = 0.886, support = 3.53, residual support = 38.0:
    * O T QG    GLU- 114 - HA    GLU- 114   2.94 +/- 0.40  63.612% * 68.1764% (1.00  10.0 10.00   3.31  43.95) =  79.171%  kept
        T QG    GLU- 114 - HA    LEU  115   4.13 +/- 1.40  36.366% * 31.3756% (0.46   1.0 10.00   4.36  15.36) =  20.829%  kept
          HG2   MET   92 - HA    GLU- 114  16.00 +/- 1.74   0.003% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  14.03 +/- 1.40   0.007% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.40 +/- 1.29   0.008% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.72 +/- 1.33   0.003% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.06 +/- 1.53   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.07 +/- 1.67   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.54 +/- 1.99   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.24 +/- 1.71   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  30.91 +/- 1.77   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  27.28 +/- 1.40   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.66 +/- 1.56   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.92 +/- 1.51   0.000% *  0.0107% (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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 3.17, residual support = 43.3:
    * O T HA    GLU- 114 - QB    GLU- 114   2.29 +/- 0.14  96.698% * 59.0968% (0.97  10.0 10.00   3.14  43.95) =  97.715%  kept
        T HA    LEU  115 - QB    GLU- 114   4.31 +/- 0.43   3.292% * 40.5940% (0.66   1.0 10.00   4.69  15.36) =   2.285%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.44 +/- 0.76   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.52 +/- 0.97   0.008% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  18.90 +/- 1.15   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.42 +/- 1.33   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.10 +/- 1.42   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.09 +/- 1.29   0.000% *  0.0494% (0.81   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 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.61, residual support = 44.0:
    * O T QG    GLU- 114 - QB    GLU- 114   2.11 +/- 0.05  99.993% * 99.1187% (0.96  10.0 10.00   3.61  43.95) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.34 +/- 1.56   0.004% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.47 +/- 1.33   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  26.16 +/- 1.87   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.81 +/- 1.73   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.87 +/- 1.98   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  31.10 +/- 1.37   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 = 0.91, support = 3.61, residual support = 35.9:
    * O T HA    GLU- 114 - QG    GLU- 114   2.94 +/- 0.40  63.607% * 59.1519% (1.00  10.0 10.00   3.31  43.95) =  71.807%  kept
        T HA    LEU  115 - QG    GLU- 114   4.13 +/- 1.40  36.357% * 40.6319% (0.69   1.0 10.00   4.36  15.36) =  28.193%  kept
          HA    CYS   53 - QG    GLU- 114  11.26 +/- 1.47   0.029% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  14.21 +/- 1.31   0.006% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  18.61 +/- 1.16   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.05 +/- 1.41   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.70 +/- 1.23   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.66 +/- 1.23   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 3.59, residual support = 43.6:
    * O T QB    GLU- 114 - QG    GLU- 114   2.11 +/- 0.05  74.655% * 96.1440% (0.96  10.0 10.00   3.61  43.95) =  99.239%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.22 +/- 1.27  22.176% *  2.4793% (0.72   1.0  1.00   0.69   0.19) =   0.760%  kept
          HB2   LEU  115 - QG    GLU- 114   4.55 +/- 1.34   3.165% *  0.0197% (0.20   1.0  1.00   0.02  15.36) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.47 +/- 1.77   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  24.27 +/- 1.60   0.000% *  0.9424% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.95 +/- 1.29   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  20.29 +/- 1.87   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.38 +/- 1.68   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.24 +/- 1.34   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.83 +/- 1.72   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.38 +/- 1.41   0.000% *  0.0135% (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 = 0.617, support = 5.47, residual support = 185.5:
    * O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.18  20.000% * 63.8902% (0.84  10.0 10.00   6.17 228.25) =  70.194%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.14  58.688% *  5.3954% (0.07  10.0 10.00   3.14  43.95) =  17.394%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.83 +/- 0.25  19.163% *  9.9598% (0.13  10.0  1.00   4.76 165.89) =  10.484%  kept
        T QB    GLU- 114 - HA    LEU  115   4.31 +/- 0.43   1.777% * 19.7195% (0.26   1.0 10.00   4.69  15.36) =   1.925%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.63 +/- 0.08   0.264% *  0.1748% (0.23   1.0 10.00   0.02  15.36) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   6.78 +/- 0.41   0.088% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.71 +/- 0.71   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.89 +/- 1.44   0.008% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.44 +/- 0.76   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.99 +/- 1.12   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  13.62 +/- 0.76   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.02 +/- 1.44   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.73 +/- 1.39   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.69 +/- 0.78   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.15 +/- 1.27   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.93 +/- 1.50   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.93 +/- 0.79   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.90 +/- 1.20   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.09 +/- 0.72   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.64 +/- 0.78   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.42 +/- 1.37   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  23.17 +/- 0.90   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.27 +/- 1.86   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 1.00   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.365, support = 6.29, residual support = 228.2:
      O T HB3   LEU  115 - HA    LEU  115   2.29 +/- 0.08  89.677% * 25.2077% (0.26  10.0 10.00   6.33 228.25) =  76.967%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.63 +/- 0.47   9.548% * 70.8443% (0.72  10.0 10.00   6.17 228.25) =  23.030%  kept
        T HG    LEU  115 - HA    GLU- 114   6.65 +/- 0.81   0.208% *  0.1938% (0.20   1.0 10.00   0.02  15.36) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.32 +/- 0.30   0.215% *  0.0690% (0.07   1.0 10.00   0.02  15.36) =   0.001%
          QB    ALA  120 - HA    LEU  115   7.54 +/- 0.44   0.076% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.15 +/- 1.31   0.009% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.40 +/- 0.56   0.088% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   7.96 +/- 0.94   0.068% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.53 +/- 0.84   0.006% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.54 +/- 0.70   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.54 +/- 2.08   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.33 +/- 1.91   0.090% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.21 +/- 0.93   0.002% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.74 +/- 1.22   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.44 +/- 0.68   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.95 +/- 0.63   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.30 +/- 1.04   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.38 +/- 1.09   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.21 +/- 1.17   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.84 +/- 1.03   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.65 +/- 1.06   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.38 +/- 1.15   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.07 +/- 1.17   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.96 +/- 0.76   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.48 +/- 0.85   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.23 +/- 2.28   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.07 +/- 0.66   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.16 +/- 1.05   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.45 +/- 1.07   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.58 +/- 1.25   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 6.14, residual support = 225.3:
    *   T QD1   LEU  115 - HA    LEU  115   3.81 +/- 0.47  93.753% * 78.0672% (0.84 10.00   6.17 228.25) =  98.614%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.55 +/- 0.57   4.787% * 21.3596% (0.23 10.00   4.45  15.36) =   1.378%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.17 +/- 0.80   1.300% *  0.4377% (0.47 10.00   0.02   0.02) =   0.008%
          QG1   VAL   75 - HA    ARG+  54  12.32 +/- 0.99   0.109% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  14.38 +/- 1.05   0.039% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.59 +/- 1.21   0.011% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.801, support = 7.39, residual support = 226.5:
    *   T QD2   LEU  115 - HA    LEU  115   3.01 +/- 0.37  90.807% * 77.6784% (0.81 10.00   7.41 228.25) =  99.171%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.84 +/- 0.41   2.753% * 21.2532% (0.22 10.00   4.45  15.36) =   0.823%  kept
          QD1   LEU   63 - HA    LEU  115   5.50 +/- 0.92   4.612% *  0.0761% (0.79  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HA    ARG+  54   9.69 +/- 0.83   0.109% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU  115   6.72 +/- 1.11   1.324% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   9.17 +/- 0.86   0.147% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.88 +/- 0.50   0.051% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.70 +/- 0.66   0.032% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.91 +/- 1.10   0.097% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  14.68 +/- 0.56   0.008% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.93 +/- 0.54   0.017% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.96 +/- 1.04   0.016% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.78 +/- 1.35   0.006% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.48 +/- 0.71   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  19.63 +/- 3.00   0.002% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  19.23 +/- 3.75   0.004% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.84 +/- 1.57   0.005% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  17.94 +/- 0.83   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.57 +/- 0.85   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  22.75 +/- 3.19   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  21.90 +/- 4.24   0.002% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.17, residual support = 228.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.77 +/- 0.18  98.490% * 98.0930% (0.84  10.0 10.00   6.17 228.25) =  99.994%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.63 +/- 0.08   1.486% *  0.4006% (0.34   1.0 10.00   0.02  15.36) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.71 +/- 0.71   0.020% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  16.26 +/- 0.85   0.003% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.03 +/- 0.87   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  21.88 +/- 0.92   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.04 +/- 0.84   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  23.92 +/- 2.00   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  29.93 +/- 1.05   0.000% *  0.0362% (0.31   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 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 = 0.442, support = 6.17, residual support = 228.2:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  89.956% * 25.8976% (0.31  10.0 10.00   6.17 228.25) =  76.133%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.59 +/- 0.26  10.034% * 72.7830% (0.87  10.0 10.00   6.19 228.25) =  23.867%  kept
          QB    ALA  120 - HB2   LEU  115   8.73 +/- 0.58   0.007% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.62 +/- 0.74   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.24 +/- 0.89   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.41 +/- 1.11   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.07 +/- 2.01   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.09 +/- 1.01   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.57 +/- 1.13   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.73 +/- 0.72   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 = 228.2:
    * O T QD1   LEU  115 - HB2   LEU  115   2.45 +/- 0.29  99.996% * 99.9055% (1.00  10.0 10.00   6.00 228.25) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.47 +/- 1.16   0.004% *  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 = 7.24, residual support = 228.2:
    * O T QD2   LEU  115 - HB2   LEU  115   2.91 +/- 0.39  97.933% * 99.5578% (0.97  10.0 10.00   7.24 228.25) =  99.998%  kept
          QD1   LEU   63 - HB2   LEU  115   6.63 +/- 1.10   1.665% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   LEU  115   8.15 +/- 1.05   0.378% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  13.82 +/- 0.76   0.012% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  15.75 +/- 0.81   0.005% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  19.54 +/- 2.78   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.22 +/- 3.83   0.005% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.16, residual support = 228.2:
    * O T HA    LEU  115 - HG    LEU  115   3.63 +/- 0.47  94.285% * 97.1402% (0.72  10.0 10.00   6.17 228.25) =  99.979%  kept
        T HA    GLU- 114 - HG    LEU  115   6.65 +/- 0.81   4.184% *  0.3967% (0.30   1.0 10.00   0.02  15.36) =   0.018%
        T HA    ARG+  54 - HG    LEU  115  11.15 +/- 1.31   0.218% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   9.03 +/- 0.67   0.521% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.21 +/- 0.93   0.035% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.08 +/- 0.94   0.558% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.62 +/- 2.43   0.096% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  15.54 +/- 0.87   0.019% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.21 +/- 1.17   0.011% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.48 +/- 1.15   0.030% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.96 +/- 0.76   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.23 +/- 0.71   0.033% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.43 +/- 1.50   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.35 +/- 1.42   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.95 +/- 1.22   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  24.52 +/- 1.94   0.001% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.85 +/- 1.28   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  27.60 +/- 2.39   0.001% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.19, residual support = 228.2:
    * O T HB2   LEU  115 - HG    LEU  115   2.59 +/- 0.26  98.195% * 98.2266% (0.87  10.0 10.00   6.19 228.25) =  99.998%  kept
        T HB2   LEU   67 - HG    LEU   40   7.60 +/- 1.39   0.588% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HG    LEU  115   7.92 +/- 1.67   0.332% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU  115   6.10 +/- 0.70   0.774% *  0.0303% (0.27   1.0  1.00   0.02  15.36) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.55 +/- 1.27   0.006% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.46 +/- 1.88   0.056% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.41 +/- 1.11   0.002% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.24 +/- 1.11   0.011% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.42 +/- 0.90   0.018% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.45 +/- 1.37   0.004% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.09 +/- 1.73   0.009% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  19.40 +/- 1.52   0.001% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.56 +/- 1.48   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.42 +/- 1.19   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.09 +/- 0.87   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.22 +/- 0.76   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 0.04 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 228.2:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  99.997% * 99.5358% (0.87  10.0 10.00   6.00 228.25) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  13.82 +/- 0.64   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.85 +/- 1.52   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  15.04 +/- 1.09   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.21, residual support = 228.2:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  97.428% * 99.0740% (0.84  10.0 10.00   7.21 228.25) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.70 +/- 1.02   2.043% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.19 +/- 1.00   0.307% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   7.57 +/- 0.97   0.061% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.87 +/- 0.69   0.041% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   6.84 +/- 0.74   0.097% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.71 +/- 1.01   0.002% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   9.07 +/- 0.96   0.019% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.92 +/- 0.89   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.90 +/- 1.22   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  19.87 +/- 2.52   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  19.82 +/- 3.55   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  19.81 +/- 3.99   0.000% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  20.12 +/- 2.81   0.000% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 6.13, residual support = 223.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.81 +/- 0.47  93.832% * 70.2377% (0.84 10.00   6.17 228.25) =  97.943%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.55 +/- 0.57   4.791% * 28.6837% (0.34 10.00   4.45  15.36) =   2.042%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.17 +/- 0.80   1.302% *  0.7762% (0.92 10.00   0.02   0.02) =   0.015%
          HA    ALA  124 - QD1   LEU  115  13.83 +/- 0.97   0.049% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.05 +/- 1.39   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  18.81 +/- 1.00   0.007% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.93 +/- 0.87   0.005% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  19.45 +/- 1.91   0.007% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.95 +/- 0.99   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 = 228.2:
    * O T HB2   LEU  115 - QD1   LEU  115   2.45 +/- 0.29  97.022% * 99.6279% (1.00  10.0 10.00   6.00 228.25) =  99.998%  kept
          HG3   PRO   58 - QD1   LEU  115   5.69 +/- 1.51   2.079% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD1   LEU  115   5.72 +/- 0.56   0.825% *  0.0307% (0.31   1.0  1.00   0.02  15.36) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.11 +/- 0.67   0.047% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.05 +/- 0.98   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.20 +/- 1.23   0.010% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.80 +/- 0.99   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  16.24 +/- 0.90   0.002% *  0.0447% (0.45   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 = 0.782, support = 6.03, residual support = 228.2:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  66.299% * 72.7830% (0.87  10.0 10.00   6.00 228.25) =  84.708%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.41 +/- 0.29  33.638% * 25.8976% (0.31  10.0 10.00   6.17 228.25) =  15.292%  kept
          QB    ALA  120 - QD1   LEU  115   7.75 +/- 0.93   0.046% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.61 +/- 0.81   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.82 +/- 0.64   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.44 +/- 0.73   0.010% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.34 +/- 0.77   0.003% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.14 +/- 1.13   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.69 +/- 1.44   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.73 +/- 1.06   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T QD2   LEU  115 - QD1   LEU  115   2.03 +/- 0.06  99.201% * 99.5578% (0.97  10.0 10.00   7.24 228.25) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.06 +/- 0.72   0.629% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.49 +/- 0.85   0.163% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.07 +/- 0.79   0.003% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  12.91 +/- 1.05   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.77 +/- 2.25   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.84 +/- 3.22   0.001% *  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 = 0.8, support = 7.38, residual support = 225.6:
    *   T HA    LEU  115 - QD2   LEU  115   3.01 +/- 0.37  96.870% * 70.2377% (0.81 10.00   7.41 228.25) =  98.762%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.84 +/- 0.41   2.970% * 28.6837% (0.33 10.00   4.45  15.36) =   1.237%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.69 +/- 0.83   0.117% *  0.7762% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  11.68 +/- 0.69   0.036% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.18 +/- 1.01   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.23 +/- 1.08   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.18 +/- 1.07   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  21.09 +/- 1.49   0.001% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  24.12 +/- 1.22   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T HB2   LEU  115 - QD2   LEU  115   2.91 +/- 0.39  95.279% * 99.6279% (0.97  10.0 10.00   7.24 228.25) =  99.997%  kept
          HG3   PRO   58 - QD2   LEU  115   6.35 +/- 1.15   2.408% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD2   LEU  115   5.70 +/- 0.37   2.176% *  0.0307% (0.30   1.0  1.00   0.02  15.36) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  10.98 +/- 1.21   0.051% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.28 +/- 1.22   0.027% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.82 +/- 0.70   0.045% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.90 +/- 1.34   0.008% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.69 +/- 1.08   0.005% *  0.0374% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 7.22, residual support = 228.2:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  76.541% * 72.7830% (0.84  10.0 10.00   7.21 228.25) =  90.256%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.68 +/- 0.41  23.224% * 25.8976% (0.30  10.0 10.00   7.37 228.25) =   9.744%  kept
          QB    ALA  120 - QD2   LEU  115   5.93 +/- 0.54   0.188% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.51 +/- 1.05   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   7.69 +/- 0.65   0.035% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.71 +/- 1.01   0.002% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.50 +/- 1.38   0.004% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  10.84 +/- 1.24   0.005% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.75 +/- 1.12   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.99 +/- 0.89   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.2:
    * O T QD1   LEU  115 - QD2   LEU  115   2.03 +/- 0.06  99.998% * 99.9055% (0.97  10.0 10.00   7.24 228.25) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.68 +/- 1.04   0.002% *  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 = 5.31, residual support = 124.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.90 +/- 0.12  99.639% * 98.6426% (1.00  10.0 10.00   5.31 124.16) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   8.35 +/- 1.49   0.340% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.42 +/- 1.08   0.019% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  22.33 +/- 0.82   0.001% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.20 +/- 0.86   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  23.77 +/- 1.46   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 124.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.42 +/- 0.52  99.951% * 99.8732% (1.00  10.0 10.00   5.30 124.16) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.98 +/- 0.83   0.049% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  30.01 +/- 1.15   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 124.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.90 +/- 0.12  99.996% * 98.1197% (1.00  10.0 10.00   5.31 124.16) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.48 +/- 0.97   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.82 +/- 0.86   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.67 +/- 0.89   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.48 +/- 0.72   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.24 +/- 1.42   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  21.80 +/- 1.87   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.36 +/- 1.34   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  31.40 +/- 3.77   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 = 5.9, residual support = 124.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.74 +/- 0.12  99.981% * 99.8732% (1.00  10.0 10.00   5.90 124.16) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.81 +/- 0.73   0.019% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  31.84 +/- 1.19   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 124.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.42 +/- 0.52  99.997% * 99.5202% (1.00  10.0 10.00   5.30 124.16) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.37 +/- 1.26   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.42 +/- 1.28   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  18.57 +/- 1.88   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.14 +/- 2.17   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.39 +/- 1.64   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  31.00 +/- 3.50   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.80 +/- 1.27   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.79 +/- 0.93   0.000% *  0.0723% (0.73   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 124.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.74 +/- 0.12  99.208% * 99.6852% (1.00  10.0 10.00   5.90 124.16) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   7.89 +/- 2.51   0.786% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.32 +/- 1.12   0.006% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.25 +/- 0.85   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.33 +/- 1.47   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.73 +/- 0.90   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 0.21 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.6, residual support = 16.3:
    * O T QB    SER  117 - HA    SER  117   2.45 +/- 0.09  99.006% * 98.0631% (1.00  10.0 10.00   1.60  16.28) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   6.52 +/- 0.88   0.444% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   5.93 +/- 0.34   0.544% *  0.0403% (0.41   1.0  1.00   0.02   5.49) =   0.000%
          HA    PHE   60 - HA    SER  117  13.01 +/- 0.56   0.005% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  21.92 +/- 1.11   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.50 +/- 1.31   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  17.06 +/- 0.92   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  29.51 +/- 2.96   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.68 +/- 1.25   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   2.45 +/- 0.09  99.886% * 99.1287% (1.00  10.0 10.00   1.60  16.28) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.47 +/- 0.83   0.071% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.18 +/- 2.08   0.031% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.85 +/- 0.87   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.27 +/- 0.52   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.73 +/- 1.14   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.50 +/- 1.31   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.32 +/- 0.88   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.10 +/- 1.31   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  18.16 +/- 2.45   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  17.16 +/- 2.64   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  29.51 +/- 2.96   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.16 +/- 1.02   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.10 +/- 1.28   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  27.43 +/- 1.50   0.000% *  0.0087% (0.09   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 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 = 6.59, residual support = 251.1:
    * O T HB    ILE  119 - HA    ILE  119   2.98 +/- 0.02  99.906% * 99.2403% (0.87  10.0 10.00   6.59 251.10) = 100.000%  kept
          HB2   LYS+ 111 - HA    ILE  119  11.51 +/- 1.44   0.041% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  12.94 +/- 0.77   0.016% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  14.47 +/- 1.26   0.009% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.62 +/- 1.49   0.016% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  18.64 +/- 1.13   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.39 +/- 0.77   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.70 +/- 0.78   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.58 +/- 0.78   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.24 +/- 1.02   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.65 +/- 1.17   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  26.17 +/- 0.95   0.000% *  0.0285% (0.25   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 251.1:
    * O T QG2   ILE  119 - HA    ILE  119   2.62 +/- 0.10  99.387% * 99.7168% (1.00  10.0 10.00   6.91 251.10) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   7.63 +/- 2.08   0.484% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.89 +/- 0.95   0.085% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.67 +/- 1.09   0.010% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.56 +/- 0.88   0.028% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.16 +/- 0.93   0.005% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.58 +/- 1.04   0.002% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 251.1:
    * O T HG12  ILE  119 - HA    ILE  119   2.61 +/- 0.21  99.563% * 99.4466% (1.00  10.0 10.00   6.34 251.10) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   6.99 +/- 0.86   0.411% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.44 +/- 0.93   0.010% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.20 +/- 0.69   0.012% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.18 +/- 1.12   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.93 +/- 1.38   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.49 +/- 1.21   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  23.01 +/- 1.20   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.45 +/- 1.07   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.17 +/- 0.85   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.28 +/- 1.66   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 = 6.01, residual support = 251.1:
    * O T HG13  ILE  119 - HA    ILE  119   2.81 +/- 0.59  91.324% * 99.6771% (1.00  10.0 10.00   6.01 251.10) =  99.998%  kept
          QG1   VAL  107 - HA    ILE  119   4.83 +/- 0.68   6.898% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.02 +/- 0.44   0.667% *  0.0308% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          QG2   VAL  107 - HA    ILE  119   6.54 +/- 0.67   1.079% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  12.32 +/- 1.37   0.027% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.64 +/- 0.56   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.18 +/- 1.38   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  18.71 +/- 1.55   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.01, residual support = 251.1:
    *   T QD1   ILE  119 - HA    ILE  119   3.29 +/- 0.61  99.420% * 99.2846% (0.97 10.00   6.01 251.10) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119   9.17 +/- 1.19   0.426% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.63 +/- 0.70   0.148% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.93 +/- 1.16   0.006% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.55, residual support = 246.0:
    * O T HA    ILE  119 - HB    ILE  119   2.98 +/- 0.02  97.583% * 50.8167% (0.87  10.0 10.00   6.59 251.10) =  97.676%  kept
        T HA    THR  118 - HB    ILE  119   5.53 +/- 0.09   2.406% * 49.0416% (0.84   1.0 10.00   4.79  31.68) =   2.324%  kept
          HA2   GLY  109 - HB    ILE  119  13.98 +/- 0.85   0.010% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.58 +/- 1.01   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  26.27 +/- 1.68   0.000% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.70 +/- 0.75   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 251.1:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.01  99.967% * 99.7168% (0.87  10.0 10.00   6.31 251.10) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   9.65 +/- 1.97   0.023% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.36 +/- 0.98   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.21 +/- 0.93   0.005% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.16 +/- 0.69   0.003% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.21 +/- 1.10   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.67 +/- 1.23   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 = 5.78, residual support = 251.1:
    * O T HG12  ILE  119 - HB    ILE  119   2.53 +/- 0.11  99.912% * 99.4466% (0.87  10.0 10.00   5.78 251.10) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   8.60 +/- 0.77   0.078% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.47 +/- 0.65   0.005% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.37 +/- 1.15   0.003% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.58 +/- 1.35   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.97 +/- 1.25   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.05 +/- 1.34   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  23.01 +/- 1.11   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.75 +/- 1.14   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.01 +/- 0.91   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.03 +/- 1.75   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 251.1:
    * O T HG13  ILE  119 - HB    ILE  119   2.76 +/- 0.36  93.766% * 99.4020% (0.87  10.0 10.00   5.44 251.10) =  99.990%  kept
        T QG1   VAL  107 - HB    ILE  119   4.99 +/- 0.72   4.741% *  0.1534% (0.13   1.0 10.00   0.02   0.11) =   0.008%
        T QG2   VAL  107 - HB    ILE  119   6.22 +/- 0.92   1.244% *  0.1534% (0.13   1.0 10.00   0.02   0.11) =   0.002%
          HD3   LYS+ 112 - HB    ILE  119   9.94 +/- 1.45   0.102% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.44 +/- 0.28   0.145% *  0.0307% (0.27   1.0  1.00   0.02   2.88) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.93 +/- 0.73   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  20.11 +/- 1.56   0.001% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.75 +/- 1.44   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 251.1:
    * O T QD1   ILE  119 - HB    ILE  119   2.61 +/- 0.39  99.955% * 99.2846% (0.84  10.0 10.00   5.44 251.10) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.05 +/- 0.64   0.024% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  11.62 +/- 1.08   0.020% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  19.20 +/- 1.34   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 0.08 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 249.5:
    * O T HA    ILE  119 - QG2   ILE  119   2.62 +/- 0.10  99.245% * 50.8167% (1.00  10.0 10.00   6.91 251.10) =  99.279%  kept
        T HA    THR  118 - QG2   ILE  119   5.96 +/- 0.07   0.747% * 49.0416% (0.97   1.0 10.00   4.54  31.68) =   0.721%  kept
          HA2   GLY  109 - QG2   ILE  119  13.33 +/- 0.66   0.006% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.21 +/- 0.99   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  22.68 +/- 1.48   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.36 +/- 0.85   0.001% *  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 = 251.1:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.01  99.975% * 99.2403% (0.87  10.0 10.00   6.31 251.10) = 100.000%  kept
          HB2   LYS+ 111 - QG2   ILE  119  10.17 +/- 1.07   0.010% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE  119  11.94 +/- 1.27   0.004% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.66 +/- 0.59   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.09 +/- 1.18   0.004% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.00 +/- 0.91   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.69 +/- 1.05   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.64 +/- 0.95   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  17.60 +/- 1.17   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  18.54 +/- 1.12   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  19.54 +/- 1.28   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.45 +/- 0.92   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 = 6.09, residual support = 251.1:
    * O T HG12  ILE  119 - QG2   ILE  119   3.21 +/- 0.03  99.465% * 99.4466% (1.00  10.0 10.00   6.09 251.10) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.32 +/- 0.62   0.374% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.36 +/- 1.16   0.064% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.26 +/- 0.82   0.060% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.62 +/- 1.18   0.021% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  16.76 +/- 1.16   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.14 +/- 1.18   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  20.01 +/- 1.05   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.87 +/- 1.20   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.24 +/- 0.89   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.78 +/- 1.59   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 251.1:
    * O T HG13  ILE  119 - QG2   ILE  119   2.55 +/- 0.14  98.272% * 99.6771% (1.00  10.0 10.00   5.75 251.10) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   5.57 +/- 0.54   1.077% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   6.50 +/- 0.67   0.424% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.57 +/- 0.28   0.153% *  0.0308% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.29 +/- 1.42   0.070% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.28 +/- 0.83   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.09 +/- 1.45   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.76 +/- 1.29   0.000% *  0.0995% (1.00   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 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 251.1:
    *   T QD1   ILE  119 - QG2   ILE  119   1.89 +/- 0.13  99.989% * 99.8078% (0.97 10.00   5.75 251.10) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.07 +/- 1.04   0.006% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.49 +/- 0.54   0.004% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  16.28 +/- 1.13   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 = 6.32, residual support = 248.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.61 +/- 0.21  98.609% * 50.8167% (1.00  10.0 10.00   6.34 251.10) =  98.667%  kept
        T HA    THR  118 - HG12  ILE  119   5.46 +/- 0.18   1.381% * 49.0416% (0.97   1.0 10.00   5.05  31.68) =   1.333%  kept
          HA2   GLY  109 - HG12  ILE  119  12.65 +/- 0.70   0.009% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.92 +/- 0.96   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  24.04 +/- 1.72   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.35 +/- 0.60   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.78, residual support = 251.1:
    * O T HB    ILE  119 - HG12  ILE  119   2.53 +/- 0.11  99.897% * 98.6651% (0.87  10.0 10.00   5.78 251.10) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.53 +/- 1.30   0.065% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.41 +/- 0.71   0.002% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.59 +/- 0.77   0.012% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  11.41 +/- 1.46   0.019% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  15.85 +/- 1.32   0.002% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.27 +/- 1.00   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.51 +/- 0.91   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  20.27 +/- 1.17   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.58 +/- 1.09   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.05 +/- 1.23   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.64 +/- 0.89   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 251.1:
    * O T QG2   ILE  119 - HG12  ILE  119   3.21 +/- 0.03  99.222% * 99.7168% (1.00  10.0 10.00   6.09 251.10) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.71 +/- 1.89   0.540% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.01 +/- 1.13   0.027% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.11 +/- 1.06   0.119% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.05 +/- 0.95   0.072% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.83 +/- 1.00   0.011% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.55 +/- 1.02   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.25 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 = 5.33, residual support = 251.1:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  97.177% * 99.6771% (1.00  10.0 10.00   5.33 251.10) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   3.65 +/- 0.73   2.484% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   4.79 +/- 0.77   0.329% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119  10.19 +/- 1.49   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.89 +/- 0.40   0.006% *  0.0308% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.20 +/- 0.55   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.14 +/- 1.50   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.84 +/- 1.47   0.000% *  0.0995% (1.00   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 = 5.33, residual support = 251.1:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.976% * 99.8078% (0.97  10.0 10.00   5.33 251.10) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.56 +/- 0.67   0.014% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  10.66 +/- 1.26   0.009% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.82 +/- 1.28   0.000% *  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 = 6.0, residual support = 248.8:
    * O T HA    ILE  119 - HG13  ILE  119   2.81 +/- 0.59  98.909% * 50.8167% (1.00  10.0 10.00   6.01 251.10) =  98.969%  kept
        T HA    THR  118 - HG13  ILE  119   6.50 +/- 0.21   1.068% * 49.0416% (0.97   1.0 10.00   4.54  31.68) =   1.031%  kept
          HA2   GLY  109 - HG13  ILE  119  13.60 +/- 1.01   0.020% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  22.05 +/- 1.14   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  24.53 +/- 1.84   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.45 +/- 1.01   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 251.1:
    * O T HB    ILE  119 - HG13  ILE  119   2.76 +/- 0.36  99.884% * 99.2403% (0.87  10.0 10.00   5.44 251.10) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  10.49 +/- 1.71   0.047% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  11.91 +/- 1.42   0.034% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.68 +/- 0.84   0.014% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  15.05 +/- 1.65   0.007% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.27 +/- 0.89   0.005% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.57 +/- 1.38   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  16.80 +/- 1.32   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  20.48 +/- 1.54   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.57 +/- 1.74   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.94 +/- 1.89   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.83 +/- 1.35   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 251.1:
    * O T QG2   ILE  119 - HG13  ILE  119   2.55 +/- 0.14  99.659% * 99.7168% (1.00  10.0 10.00   5.75 251.10) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   8.30 +/- 2.18   0.289% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.25 +/- 1.29   0.030% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.70 +/- 1.18   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  11.79 +/- 1.02   0.011% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.52 +/- 1.59   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.30 +/- 1.36   0.002% *  0.0374% (0.38   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 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 251.1:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.986% * 99.4466% (1.00  10.0 10.00   5.33 251.10) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   8.59 +/- 0.98   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.18 +/- 0.97   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.07 +/- 1.60   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.39 +/- 1.58   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.45 +/- 1.43   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.26 +/- 1.56   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.64 +/- 1.21   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.64 +/- 1.72   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.77 +/- 0.95   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.47 +/- 1.74   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 251.1:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.984% * 99.8078% (0.97  10.0 10.00   5.00 251.10) = 100.000%  kept
          HB2   LEU  104 - HG13  ILE  119  11.22 +/- 1.40   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  10.41 +/- 0.71   0.009% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  17.05 +/- 1.42   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 = 6.0, residual support = 249.9:
    *   T HA    ILE  119 - QD1   ILE  119   3.29 +/- 0.61  97.335% * 81.7528% (0.97 10.00   6.01 251.10) =  99.433%  kept
          HA    THR  118 - QD1   ILE  119   6.37 +/- 0.20   2.538% * 17.8903% (0.93  1.00   4.54  31.68) =   0.567%  kept
          HA2   GLY  109 - QD1   ILE  119  11.40 +/- 0.83   0.103% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.28 +/- 0.72   0.015% *  0.1432% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.75 +/- 1.00   0.007% *  0.0810% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  20.27 +/- 1.40   0.003% *  0.0733% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 251.1:
    * O T HB    ILE  119 - QD1   ILE  119   2.61 +/- 0.39  99.709% * 98.5836% (0.84  10.0 10.00   5.44 251.10) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.01 +/- 0.90   0.025% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   8.74 +/- 1.01   0.161% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   9.59 +/- 1.20   0.055% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.54 +/- 1.28   0.016% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.81 +/- 0.90   0.014% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.73 +/- 1.13   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.64 +/- 0.93   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  17.98 +/- 1.21   0.002% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.54 +/- 1.06   0.002% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.61 +/- 1.15   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.74 +/- 0.79   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 0.04 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 251.1:
    *   T QG2   ILE  119 - QD1   ILE  119   1.89 +/- 0.13  99.904% * 99.7168% (0.97 10.00   5.75 251.10) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.20 +/- 1.45   0.074% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.19 +/- 1.09   0.002% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.27 +/- 1.10   0.010% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.69 +/- 0.92   0.006% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.35 +/- 0.98   0.002% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.42 +/- 1.08   0.002% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.33, residual support = 251.1:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.925% * 99.4466% (0.97  10.0 10.00   5.33 251.10) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   8.25 +/- 0.85   0.041% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.24 +/- 0.64   0.018% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.12 +/- 1.09   0.012% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.63 +/- 1.09   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.38 +/- 1.33   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.66 +/- 1.36   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.79 +/- 1.15   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.72 +/- 1.04   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.99 +/- 0.84   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.78 +/- 1.68   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 = 5.0, residual support = 251.1:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  95.749% * 99.6771% (0.97  10.0 10.00   5.00 251.10) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.49 +/- 0.70   2.177% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   4.83 +/- 0.91   1.938% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   8.04 +/- 1.53   0.112% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.87 +/- 0.47   0.021% *  0.0308% (0.30   1.0  1.00   0.02   2.88) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.95 +/- 0.65   0.001% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  15.60 +/- 1.41   0.001% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  19.08 +/- 1.30   0.000% *  0.0995% (0.96   1.0  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 = 2.24, residual support = 13.6:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  99.704% * 99.2082% (0.95  10.0 10.00   2.24  13.63) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   5.93 +/- 0.64   0.265% *  0.1618% (0.15   1.0 10.00   0.02   1.31) =   0.000%
          HG    LEU  115 - HA    ALA  120  10.13 +/- 0.69   0.010% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.85 +/- 2.22   0.006% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.57 +/- 0.87   0.008% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.39 +/- 1.60   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.99 +/- 1.79   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.18 +/- 1.77   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.93 +/- 1.29   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.62 +/- 1.03   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 = 2.24, residual support = 13.6:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  96.530% * 99.3786% (0.95  10.0 10.00   2.24  13.63) =  99.998%  kept
          HA    LYS+ 121 - QB    ALA  120   3.89 +/- 0.04   2.636% *  0.0759% (0.72   1.0  1.00   0.02   1.31) =   0.002%
          QB    SER  117 - QB    ALA  120   4.80 +/- 0.31   0.830% *  0.0409% (0.39   1.0  1.00   0.02   5.49) =   0.000%
          HA    LYS+  65 - QB    ALA  120  13.66 +/- 0.94   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.17 +/- 0.49   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.49 +/- 1.29   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.88 +/- 1.55   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.98 +/- 1.02   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.96 +/- 1.04   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  26.36 +/- 2.29   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.952, support = 8.11, residual support = 308.8:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.94 +/- 0.08  55.119% * 78.4693% (1.00  10.0 10.00   8.31 317.30) =  94.873%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.15 +/- 0.54  43.348% *  4.9142% (0.06   1.0 10.00   4.75 165.66) =   4.673%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.55 +/- 0.71   1.463% * 14.1641% (0.31   1.0 10.00   1.17   2.47) =   0.454%
        T QD    LYS+ 102 - HA    LYS+ 121  14.20 +/- 1.32   0.006% *  0.4128% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  16.74 +/- 2.10   0.002% *  0.7037% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.39 +/- 1.01   0.002% *  0.7830% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.82 +/- 1.37   0.002% *  0.2182% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.46 +/- 1.45   0.009% *  0.0152% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.83 +/- 1.12   0.003% *  0.0493% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.87 +/- 2.18   0.002% *  0.0442% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  11.98 +/- 1.08   0.015% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.63 +/- 0.49   0.025% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.92 +/- 0.43   0.002% *  0.0242% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.12 +/- 1.72   0.000% *  0.0476% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.97 +/- 1.66   0.001% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.90 +/- 1.21   0.000% *  0.0259% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  29.96 +/- 3.65   0.000% *  0.0769% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.03 +/- 1.96   0.000% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.15 +/- 1.09   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  25.28 +/- 1.42   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 317.3:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.60 +/- 0.59  99.754% * 99.6412% (1.00  10.0 10.00   7.36 317.30) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.17 +/- 0.29   0.056% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.89 +/- 0.32   0.119% *  0.0308% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.12 +/- 1.02   0.010% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.63 +/- 1.49   0.003% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  11.99 +/- 0.85   0.019% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.78 +/- 0.88   0.010% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.78 +/- 1.23   0.028% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.70 +/- 0.77   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.49 +/- 1.73   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.63 +/- 1.02   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  21.49 +/- 1.09   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 317.3:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.18 +/- 0.55  98.564% * 99.4380% (1.00  10.0 10.00   6.77 317.30) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.22 +/- 0.22   1.037% *  0.0484% (0.49   1.0  1.00   0.02   2.47) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  16.04 +/- 1.00   0.008% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  13.21 +/- 0.74   0.028% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  11.14 +/- 0.49   0.077% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.35 +/- 1.40   0.240% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.73 +/- 1.54   0.006% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.77 +/- 0.64   0.035% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  21.89 +/- 1.81   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  20.27 +/- 1.16   0.002% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.507, support = 7.69, residual support = 299.8:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.60 +/- 0.21  45.481% * 21.3664% (0.31  10.0 10.00   8.23 317.30) =  55.849%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.59   8.230% * 69.2258% (1.00   1.0 10.00   7.63 317.30) =  32.743%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.68 +/- 0.58  45.528% *  4.3065% (0.06  10.0 10.00   5.27 165.66) =  11.268%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.82 +/- 0.81   0.699% *  3.4792% (0.05   1.0 10.00   5.45  26.27) =   0.140%
        T QD    LYS+  66 - HA    LYS+ 121  11.08 +/- 1.88   0.015% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.79 +/- 1.34   0.021% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.35 +/- 1.14   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.70 +/- 1.78   0.005% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  11.83 +/- 1.00   0.006% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.40 +/- 1.73   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.57 +/- 1.19   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.23 +/- 1.29   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.39 +/- 0.52   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.28   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.43 +/- 0.98   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.02 +/- 1.27   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 0.82   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.39 +/- 1.26   0.005% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.84 +/- 1.13   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.50 +/- 1.73   0.000% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.66, residual support = 285.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.05 +/- 0.90  84.700% * 56.3684% (1.00   6.72 317.30) =  88.069%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.85 +/- 0.34  14.909% * 43.3825% (0.84   6.19  52.82) =  11.931%  kept
          HB3   HIS  122 - HA    LYS+  65  11.77 +/- 1.56   0.273% *  0.0088% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  15.83 +/- 2.08   0.081% *  0.0105% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.35 +/- 1.29   0.003% *  0.1152% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.19 +/- 1.23   0.025% *  0.0072% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  26.88 +/- 1.45   0.002% *  0.0752% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.00 +/- 1.31   0.001% *  0.0259% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.09 +/- 0.93   0.003% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  22.44 +/- 1.50   0.004% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.31, residual support = 317.3:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.94 +/- 0.08  95.651% * 99.1042% (1.00  10.0 10.00   8.31 317.30) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.75 +/- 0.58   2.068% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   LYS+ 121   5.51 +/- 0.06   2.241% *  0.0757% (0.76   1.0  1.00   0.02   1.31) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.83 +/- 1.12   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.64 +/- 0.70   0.028% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.93 +/- 0.76   0.004% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.85 +/- 1.24   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.52 +/- 1.29   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.81 +/- 0.86   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  28.79 +/- 3.37   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 = 7.79, residual support = 317.3:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.14  99.168% * 99.7211% (1.00  10.0 10.00   7.79 317.30) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.00 +/- 0.25   0.246% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.07 +/- 0.41   0.563% *  0.0308% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.12 +/- 0.73   0.021% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.98 +/- 0.86   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.86 +/- 1.57   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 = 7.22, residual support = 317.3:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.78 +/- 0.16  99.739% * 99.0974% (1.00  10.0 10.00   7.22 317.30) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.74 +/- 0.30   0.229% *  0.4824% (0.49   1.0 10.00   0.02   2.47) =   0.001%
        T QD2   LEU   73 - HB2   LYS+ 121  14.33 +/- 0.91   0.006% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  11.29 +/- 0.76   0.025% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.04 +/- 1.62   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 0.624, support = 8.5, residual support = 317.3:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.431% * 23.0703% (0.31  10.0 10.00   8.82 317.30) =  54.391%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.25 +/- 0.29  20.558% * 74.7463% (1.00  10.0 10.00   8.12 317.30) =  45.609%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.88 +/- 2.01   0.003% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   8.84 +/- 1.03   0.006% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.22 +/- 1.24   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.74 +/- 1.32   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.72 +/- 1.45   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.30 +/- 1.37   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.91 +/- 1.37   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.73 +/- 0.93   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 = 0.98, support = 7.07, residual support = 284.9:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.73 +/- 0.33  83.977% * 57.5912% (1.00   7.18 317.30) =  87.736%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.11 +/- 0.51  16.019% * 42.2018% (0.84   6.30  52.82) =  12.264%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.50 +/- 1.17   0.002% *  0.1102% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  24.85 +/- 1.25   0.001% *  0.0719% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.38 +/- 1.43   0.001% *  0.0248% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 317.3:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.60 +/- 0.59  98.808% * 99.1042% (1.00  10.0 10.00   7.36 317.30) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.81 +/- 0.90   0.697% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.82 +/- 0.35   0.477% *  0.0757% (0.76   1.0  1.00   0.02   1.31) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.63 +/- 1.49   0.003% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.06 +/- 0.89   0.010% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.85 +/- 1.12   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.38 +/- 1.65   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.58 +/- 1.51   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.22 +/- 0.91   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  30.44 +/- 3.76   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 = 7.79, residual support = 317.3:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.92 +/- 0.14  99.551% * 99.4783% (1.00  10.0 10.00   7.79 317.30) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.64 +/- 0.87   0.416% *  0.0307% (0.31   1.0  1.00   0.02   2.47) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  12.83 +/- 1.40   0.017% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  16.16 +/- 1.77   0.005% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.26 +/- 1.43   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.39 +/- 1.60   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.30 +/- 0.48   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.66 +/- 1.86   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.00 +/- 1.94   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  29.21 +/- 4.07   0.000% *  0.0975% (0.98   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 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 = 317.3:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 317.30) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.77 +/- 0.65   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.47) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  15.62 +/- 1.24   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  13.32 +/- 0.87   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  20.85 +/- 2.17   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.778, support = 7.38, residual support = 317.3:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.83 +/- 0.11  39.517% * 75.5250% (1.00  10.0 10.00   7.21 317.30) =  67.956%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.63 +/- 0.19  60.371% * 23.3106% (0.31  10.0 10.00   7.72 317.30) =  32.043%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.25 +/- 2.31   0.013% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   8.62 +/- 1.50   0.085% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.10 +/- 1.47   0.003% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.37 +/- 1.91   0.010% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.18 +/- 1.45   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.17 +/- 1.48   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.95 +/- 1.38   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.83 +/- 1.54   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 317.3:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.68 +/- 0.51  98.287% * 99.7880% (1.00  10.0   6.31 317.30) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.42 +/- 1.31   1.712% *  0.0833% (0.84   1.0   0.02  52.82) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  23.77 +/- 1.67   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.79 +/- 1.82   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.64 +/- 1.73   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 317.3:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.18 +/- 0.55  95.726% * 98.4706% (1.00  10.0 10.00   6.77 317.30) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.52 +/- 0.80   2.520% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.24 +/- 0.64   1.057% *  0.0753% (0.76   1.0  1.00   0.02   1.31) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  11.14 +/- 0.49   0.075% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.48 +/- 0.94   0.173% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.25 +/- 0.83   0.285% *  0.0093% (0.09   1.0  1.00   0.02   2.19) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.04 +/- 1.00   0.007% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.73 +/- 1.54   0.006% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  11.30 +/- 0.75   0.064% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  13.94 +/- 1.07   0.024% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.80 +/- 0.97   0.025% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  17.12 +/- 1.21   0.006% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.48 +/- 0.89   0.011% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.29 +/- 1.17   0.008% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.68 +/- 1.10   0.004% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.54 +/- 1.60   0.002% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  17.01 +/- 1.87   0.006% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.13 +/- 1.69   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.82 +/- 1.06   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  29.83 +/- 3.57   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.22, residual support = 317.3:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.78 +/- 0.16  99.008% * 98.6953% (1.00  10.0 10.00   7.22 317.30) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.17 +/- 0.83   0.208% *  0.3046% (0.31   1.0 10.00   0.02   2.47) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   6.92 +/- 0.90   0.655% *  0.0204% (0.21   1.0  1.00   0.02  43.47) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.33 +/- 0.91   0.006% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.39 +/- 1.29   0.018% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.65 +/- 0.87   0.021% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.95 +/- 1.18   0.021% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  16.12 +/- 1.72   0.004% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  14.01 +/- 1.74   0.009% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.38 +/- 1.56   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.86 +/- 0.81   0.019% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.94 +/- 0.60   0.010% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.88 +/- 1.49   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.40 +/- 1.42   0.007% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  17.11 +/- 0.76   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.61 +/- 1.81   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.09 +/- 2.01   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.18 +/- 1.77   0.004% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.20 +/- 1.92   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  28.59 +/- 3.82   0.000% *  0.0967% (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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 317.3:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.910% * 98.9593% (1.00  10.0 10.00   6.31 317.30) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.13 +/- 0.38   0.058% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.88 +/- 0.70   0.014% *  0.0938% (0.09   1.0 10.00   0.02   1.33) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.37 +/- 0.59   0.005% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.39 +/- 0.87   0.007% *  0.0305% (0.31   1.0  1.00   0.02   2.88) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  15.62 +/- 1.24   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.85 +/- 1.01   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.97 +/- 0.70   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.56 +/- 0.60   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.99 +/- 1.98   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.04 +/- 1.43   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.31 +/- 1.14   0.000% *  0.0792% (0.80   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 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 = 0.688, support = 6.79, residual support = 317.3:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.18  26.951% * 75.1260% (1.00  10.0 10.00   6.58 317.30) =  54.941%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.42 +/- 0.21  71.612% * 23.1874% (0.31  10.0 10.00   7.05 317.30) =  45.058%  kept
          QG2   THR   26 - QD2   LEU   73   5.30 +/- 0.62   0.783% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.95 +/- 0.63   0.396% *  0.0196% (0.26   1.0  1.00   0.02  43.47) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.57 +/- 2.43   0.008% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.98 +/- 0.60   0.063% *  0.0507% (0.07   1.0 10.00   0.02  43.47) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.21 +/- 1.29   0.074% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.51 +/- 0.63   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.94 +/- 1.51   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   7.73 +/- 1.05   0.082% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.74 +/- 1.14   0.006% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.49 +/- 1.12   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.24 +/- 1.68   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.39 +/- 0.97   0.007% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.59 +/- 1.36   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.27 +/- 1.45   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.82 +/- 1.33   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.62 +/- 1.36   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.46 +/- 1.49   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.89 +/- 1.67   0.001% *  0.0057% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 315.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.78 +/- 0.44  89.620% * 83.3042% (1.00  10.0   6.00 317.30) =  99.412%  kept
          HB3   HIS  122 - HG3   LYS+ 121   6.68 +/- 1.12   2.667% * 16.4996% (0.84   1.0   4.74  52.82) =   0.586%  kept
          HG2   GLN   30 - QD2   LEU   73   4.87 +/- 0.86   7.572% *  0.0195% (0.23   1.0   0.02   4.71) =   0.002%
          HB3   ASN   28 - QD2   LEU   73   9.07 +/- 0.43   0.105% *  0.0127% (0.15   1.0   0.02   4.00) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  13.98 +/- 2.06   0.014% *  0.0284% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.30 +/- 1.14   0.016% *  0.0237% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.77 +/- 0.90   0.005% *  0.0044% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.43 +/- 1.61   0.000% *  0.0572% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  25.25 +/- 1.67   0.000% *  0.0373% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  29.14 +/- 1.83   0.000% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.989, support = 7.48, residual support = 303.1:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.69 +/- 0.59  66.265% * 56.2480% (1.00 10.00   7.63 317.30) =  95.505%  kept
        T HA    ALA  120 - HD2   LYS+ 121   5.93 +/- 0.64   4.058% * 42.9863% (0.76 10.00   4.26   1.31) =   4.470%  kept
          QB    SER  117 - HD2   LYS+ 121   5.23 +/- 1.45  16.620% *  0.0470% (0.84  1.00   0.02   0.02) =   0.020%
        T HA    LYS+  65 - QD    LYS+  66   5.82 +/- 0.81   7.626% *  0.0239% (0.04 10.00   0.02  26.27) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  11.08 +/- 1.88   0.194% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74   9.90 +/- 2.06   1.229% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.21 +/- 1.65   1.291% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.40 +/- 1.73   0.020% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  11.83 +/- 1.00   0.083% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.94 +/- 0.96   0.918% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   8.38 +/- 1.27   0.670% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.19 +/- 1.14   0.112% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.33 +/- 1.32   0.142% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.04 +/- 1.27   0.572% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.27 +/- 1.03   0.015% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.51 +/- 1.70   0.076% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  14.03 +/- 0.98   0.026% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.23 +/- 1.29   0.002% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  19.44 +/- 1.94   0.007% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  13.47 +/- 1.02   0.039% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.78 +/- 1.55   0.002% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  23.94 +/- 1.03   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.33 +/- 1.31   0.007% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.07 +/- 0.94   0.006% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  20.15 +/- 1.99   0.006% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.67 +/- 1.24   0.003% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.62 +/- 1.50   0.003% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  18.04 +/- 1.38   0.006% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  29.11 +/- 3.37   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  27.72 +/- 1.73   0.000% *  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 = 0.758, support = 6.84, residual support = 282.5:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.29  20.536% * 87.6744% (1.00  10.0 10.00   8.12 317.30) =  73.254%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  79.255% *  8.2944% (0.09  10.0  1.00   3.34 187.17) =  26.745%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.89 +/- 1.07   0.124% *  0.1088% (0.12   1.0 10.00   0.02  26.27) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.17 +/- 0.65   0.020% *  0.0271% (0.31   1.0  1.00   0.02   2.47) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.88 +/- 2.01   0.003% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  10.98 +/- 1.54   0.002% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  13.99 +/- 1.51   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  15.99 +/- 1.71   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.37 +/- 1.52   0.039% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.25 +/- 1.89   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.45 +/- 1.53   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.41 +/- 0.63   0.016% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.37 +/- 1.80   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  16.82 +/- 1.86   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.91 +/- 1.37   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  10.95 +/- 1.19   0.002% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  11.69 +/- 1.39   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.18 +/- 1.45   0.000% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.45 +/- 0.63   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  18.67 +/- 1.65   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.54 +/- 1.85   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  19.61 +/- 2.37   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  21.97 +/- 1.59   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  18.94 +/- 2.33   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.55 +/- 1.30   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.12 +/- 1.10   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  27.72 +/- 3.82   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.89 +/- 1.83   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  19.86 +/- 1.74   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  25.69 +/- 1.81   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 = 7.21, residual support = 317.3:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.83 +/- 0.11  98.088% * 99.3656% (1.00  10.0 10.00   7.21 317.30) = 100.000%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.13 +/- 0.54   0.205% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   7.47 +/- 0.70   0.335% *  0.0307% (0.31   1.0  1.00   0.02   2.88) =   0.000%
          QB    ALA   20 - HD3   LYS+  74   6.59 +/- 0.44   0.687% *  0.0124% (0.12   1.0  1.00   0.02   8.17) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.25 +/- 2.31   0.031% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.23 +/- 2.16   0.557% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.65 +/- 1.15   0.016% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.43 +/- 1.80   0.034% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.45 +/- 0.82   0.027% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.17 +/- 1.48   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.50 +/- 1.39   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.83 +/- 0.96   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.16 +/- 1.15   0.008% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.57 +/- 2.41   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  18.23 +/- 0.89   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.13 +/- 1.38   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  18.76 +/- 1.36   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.20 +/- 1.10   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 0.02 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 317.3:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.18  80.968% * 99.1222% (1.00  10.0 10.00   6.58 317.30) =  99.998%  kept
          QD2   LEU  123 - QD    LYS+  66   4.32 +/- 1.34  18.386% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.98 +/- 0.60   0.222% *  0.0527% (0.05   1.0 10.00   0.02  43.47) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.15 +/- 0.64   0.212% *  0.0482% (0.49   1.0  1.00   0.02   2.47) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.57 +/- 2.43   0.024% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.94 +/- 1.51   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.41 +/- 0.93   0.024% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.97 +/- 1.63   0.102% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.51 +/- 0.63   0.014% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.17 +/- 1.34   0.033% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.82 +/- 1.33   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  15.83 +/- 1.67   0.004% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.74 +/- 2.42   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  16.64 +/- 1.35   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.31 +/- 1.31   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.998, support = 6.49, residual support = 314.7:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.09  94.620% * 81.6923% (1.00  10.0  1.00   6.50 317.30) =  99.031%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.93 +/- 1.69   4.327% * 17.4842% (0.84   1.0  1.00   5.12  52.82) =   0.969%  kept
          HB3   HIS  122 - QD    LYS+  66   7.43 +/- 2.58   1.001% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.17 +/- 2.34   0.039% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.50 +/- 0.80   0.002% *  0.0875% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.22 +/- 2.06   0.000% *  0.5612% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.07 +/- 1.21   0.000% *  0.0698% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.12 +/- 1.29   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.86 +/- 1.77   0.001% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.54 +/- 1.68   0.000% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.50 +/- 1.98   0.000% *  0.0366% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.40 +/- 0.74   0.000% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.74 +/- 1.71   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.34 +/- 0.95   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  23.55 +/- 1.52   0.000% *  0.0016% (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 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 74.2:
    * O T HB2   HIS  122 - HA    HIS  122   2.51 +/- 0.14  99.998% * 99.8210% (1.00  10.0 10.00   3.44  74.17) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.77 +/- 0.65   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.50 +/- 1.64   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 73.8:
    * O T HB3   HIS  122 - HA    HIS  122   2.76 +/- 0.30  90.041% * 87.7434% (1.00  10.0 10.00   3.76  74.17) =  98.489%  kept
          QE    LYS+ 121 - HA    HIS  122   6.13 +/- 1.90   9.958% * 12.1752% (0.84   1.0  1.00   3.32  52.82) =   1.511%  kept
          HG2   GLN   30 - HA    HIS  122  21.07 +/- 1.61   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.48 +/- 1.70   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.72 +/- 1.41   0.000% *  0.0361% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 74.2:
    * O T HA    HIS  122 - HB2   HIS  122   2.51 +/- 0.14  99.977% * 99.8702% (1.00  10.0 10.00   3.44  74.17) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.44 +/- 1.80   0.022% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.86 +/- 1.39   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.78 +/- 1.52   0.000% *  0.0249% (0.25   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 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 74.2:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.690% * 99.8240% (1.00  10.0 10.00   4.33  74.17) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.32 +/- 2.05   0.310% *  0.0834% (0.84   1.0  1.00   0.02  52.82) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  19.39 +/- 1.67   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.34 +/- 1.79   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.82 +/- 1.45   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 74.2:
    * O T HA    HIS  122 - HB3   HIS  122   2.76 +/- 0.30  99.970% * 99.8702% (1.00  10.0 10.00   3.76  74.17) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.85 +/- 1.47   0.027% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.52 +/- 1.11   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.02 +/- 1.22   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 = 4.33, residual support = 74.2:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.8210% (1.00  10.0 10.00   4.33  74.17) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.10 +/- 1.30   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.26 +/- 1.54   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 = 203.8:
    * O T HB2   LEU  123 - HA    LEU  123   2.95 +/- 0.19  99.548% * 98.5720% (1.00  10.0 10.00   6.00 203.83) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  10.86 +/- 1.66   0.068% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.68 +/- 0.24   0.345% *  0.0304% (0.31   1.0  1.00   0.02   2.47) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.77 +/- 1.17   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.47 +/- 1.06   0.021% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  16.80 +/- 2.76   0.007% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  17.41 +/- 1.43   0.003% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.18 +/- 1.24   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.32 +/- 2.08   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.42 +/- 1.34   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.69 +/- 1.22   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  30.89 +/- 3.28   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 = 5.55, residual support = 203.8:
    * O T HB3   LEU  123 - HA    LEU  123   2.49 +/- 0.12  99.997% * 99.6484% (1.00  10.0 10.00   5.55 203.83) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.72 +/- 0.75   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.30 +/- 3.02   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.23 +/- 1.33   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.92 +/- 2.35   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.96 +/- 1.47   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 = 5.35, residual support = 203.8:
    * O T HG    LEU  123 - HA    LEU  123   3.50 +/- 0.59  91.475% * 98.6685% (0.69  10.0 10.00   5.35 203.83) =  99.996%  kept
          HG3   PRO   68 - HA    LEU  123  10.17 +/- 2.79   1.495% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    LEU  123   6.34 +/- 1.22   6.864% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  123  11.39 +/- 1.11   0.107% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.40 +/- 2.09   0.013% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  14.86 +/- 1.18   0.019% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.15 +/- 1.43   0.006% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.09 +/- 1.39   0.006% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.29 +/- 2.25   0.009% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.48 +/- 2.39   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.18 +/- 1.41   0.002% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  22.83 +/- 1.36   0.002% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  31.24 +/- 1.30   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  31.66 +/- 2.14   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 203.8:
    *   T QD1   LEU  123 - HA    LEU  123   2.57 +/- 0.83  91.555% * 99.6081% (1.00 10.00   5.97 203.83) =  99.992%  kept
          QG1   VAL   70 - HA    LEU  123   8.44 +/- 2.32   8.069% *  0.0919% (0.92  1.00   0.02   0.02) =   0.008%
          HB3   LEU   63 - HA    LEU  123   9.81 +/- 1.67   0.270% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.24 +/- 1.44   0.085% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  15.47 +/- 1.96   0.011% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.36 +/- 1.65   0.009% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 2 structures by 0.30 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 203.8:
    *   T QD2   LEU  123 - HA    LEU  123   2.89 +/- 0.23  99.810% * 99.9316% (1.00 10.00   4.76 203.83) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.01 +/- 0.71   0.135% *  0.0486% (0.49  1.00   0.02   2.47) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.24 +/- 1.44   0.055% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 203.8:
    * O T HA    LEU  123 - HB2   LEU  123   2.95 +/- 0.19  99.948% * 98.7431% (1.00  10.0 10.00   6.00 203.83) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  15.47 +/- 1.75   0.006% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.75 +/- 0.60   0.017% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  14.46 +/- 1.03   0.008% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  13.73 +/- 1.05   0.011% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.42 +/- 2.09   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.14 +/- 2.25   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.46 +/- 2.33   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.25 +/- 2.28   0.000% *  0.0337% (0.34   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 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 = 5.34, residual support = 203.8:
    * O T HG    LEU  123 - HB2   LEU  123   2.41 +/- 0.28  99.538% * 97.8726% (0.69  10.0 10.00   5.34 203.83) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  12.37 +/- 2.85   0.074% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.21 +/- 1.17   0.355% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.10 +/- 0.87   0.004% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  10.68 +/- 0.72   0.023% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.20 +/- 1.94   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.15 +/- 0.98   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.86 +/- 2.10   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.25 +/- 1.02   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.01 +/- 2.23   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.89 +/- 1.54   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  21.13 +/- 1.36   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  30.11 +/- 1.27   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  31.18 +/- 1.95   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 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 203.8:
    * O T QD1   LEU  123 - HB2   LEU  123   2.64 +/- 0.33  99.470% * 99.6081% (1.00  10.0 10.00   5.96 203.83) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123   9.94 +/- 2.21   0.322% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123   9.93 +/- 1.83   0.185% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  11.47 +/- 1.14   0.018% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.78 +/- 1.57   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  16.82 +/- 1.82   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.8:
    * O T QD2   LEU  123 - HB2   LEU  123   2.98 +/- 0.20  99.652% * 99.4960% (1.00  10.0 10.00   4.75 203.83) =  99.998%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.17 +/- 0.83   0.312% *  0.4843% (0.49   1.0 10.00   0.02   2.47) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  11.47 +/- 1.14   0.036% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.35, residual support = 203.8:
    * O T HA    LEU  123 - HG    LEU  123   3.50 +/- 0.59  99.734% * 99.5102% (0.69  10.0 10.00   5.35 203.83) = 100.000%  kept
          HA    ILE   56 - HG    LEU  123  13.30 +/- 1.29   0.061% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU  123  12.56 +/- 1.08   0.082% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  12.26 +/- 0.88   0.081% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  15.49 +/- 1.96   0.016% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  15.23 +/- 2.29   0.018% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  18.03 +/- 2.13   0.006% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.36 +/- 2.52   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  24.23 +/- 2.36   0.001% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.34, residual support = 203.8:
    * O T HB2   LEU  123 - HG    LEU  123   2.41 +/- 0.28  99.798% * 96.6014% (0.69  10.0 10.00   5.34 203.83) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.17 +/- 0.62   0.165% *  0.0298% (0.21   1.0  1.00   0.02   2.47) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  11.64 +/- 1.30   0.014% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  18.45 +/- 1.44   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.61 +/- 1.26   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  12.51 +/- 1.67   0.016% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  18.98 +/- 1.50   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  14.92 +/- 1.12   0.003% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  18.70 +/- 2.85   0.001% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  19.85 +/- 2.00   0.001% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.56 +/- 1.18   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  29.42 +/- 3.28   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.16, residual support = 203.8:
    * O T HB3   LEU  123 - HG    LEU  123   2.75 +/- 0.12  99.988% * 97.8109% (0.69  10.0 10.00   5.16 203.83) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  17.63 +/- 1.33   0.002% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  13.68 +/- 0.81   0.008% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.21 +/- 2.75   0.001% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.26 +/- 1.47   0.001% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  18.69 +/- 2.10   0.002% *  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 = 203.8:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.784% * 99.6081% (0.69  10.0 10.00   5.61 203.83) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.42 +/- 2.19   0.139% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   8.81 +/- 1.58   0.070% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.02 +/- 1.44   0.004% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.73 +/- 1.77   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.23 +/- 1.91   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 203.8:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.973% * 99.9316% (0.69  10.0 10.00   4.44 203.83) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.10 +/- 0.89   0.023% *  0.0486% (0.33   1.0  1.00   0.02   2.47) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.02 +/- 1.44   0.004% *  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 = 5.97, residual support = 203.8:
    *   T HA    LEU  123 - QD1   LEU  123   2.57 +/- 0.83  99.597% * 99.5102% (1.00 10.00   5.97 203.83) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.16 +/- 1.09   0.065% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.13 +/- 1.09   0.147% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  10.98 +/- 0.72   0.090% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  12.05 +/- 1.12   0.033% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  11.80 +/- 1.31   0.047% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  14.23 +/- 1.38   0.016% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.58 +/- 1.56   0.003% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.44 +/- 1.49   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 203.8:
    * O T HB2   LEU  123 - QD1   LEU  123   2.64 +/- 0.33  98.171% * 99.3293% (1.00  10.0 10.00   5.96 203.83) =  99.999%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.50 +/- 0.28   1.620% *  0.0307% (0.31   1.0  1.00   0.02   2.47) =   0.001%
          QD    LYS+  65 - QD1   LEU  123   9.29 +/- 1.34   0.103% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123   9.68 +/- 0.89   0.063% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  14.78 +/- 2.00   0.014% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.10 +/- 0.88   0.014% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  14.78 +/- 0.97   0.005% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.90 +/- 1.24   0.004% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  15.79 +/- 1.29   0.003% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.88 +/- 1.56   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.83 +/- 1.10   0.001% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  24.16 +/- 2.56   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 203.8:
    * O T HB3   LEU  123 - QD1   LEU  123   3.01 +/- 0.21  99.940% * 99.6484% (1.00  10.0 10.00   5.77 203.83) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.36 +/- 0.94   0.038% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  14.92 +/- 1.35   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.06 +/- 1.69   0.008% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.74 +/- 1.93   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  17.83 +/- 1.15   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 203.8:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  94.552% * 98.8924% (0.69  10.0 10.00   5.61 203.83) =  99.999%  kept
          QB    LYS+  66 - QD1   LEU  123   4.39 +/- 1.45   5.366% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD1   LEU  123   8.95 +/- 1.81   0.043% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   8.62 +/- 0.74   0.025% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.30 +/- 0.78   0.005% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.34 +/- 1.92   0.005% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  14.78 +/- 0.76   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  14.63 +/- 0.91   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.02 +/- 1.36   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.19 +/- 1.24   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  16.88 +/- 1.47   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.12 +/- 1.45   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.13 +/- 1.16   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  24.87 +/- 1.41   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 = 203.8:
    * O T QD2   LEU  123 - QD1   LEU  123   2.09 +/- 0.05  99.872% * 99.7540% (1.00  10.0 10.00   4.91 203.83) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.07 +/- 0.68   0.113% *  0.0486% (0.49   1.0  1.00   0.02   2.47) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123   9.31 +/- 0.79   0.015% *  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 = 4.76, residual support = 203.8:
    *   T HA    LEU  123 - QD2   LEU  123   2.89 +/- 0.23  99.835% * 99.5102% (1.00 10.00   4.76 203.83) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  11.78 +/- 1.15   0.029% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  10.16 +/- 0.93   0.068% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.69 +/- 0.69   0.027% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  13.87 +/- 1.45   0.011% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  13.47 +/- 1.75   0.017% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  14.47 +/- 1.97   0.011% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.15 +/- 2.07   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  19.49 +/- 2.08   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.8:
    * O T HB2   LEU  123 - QD2   LEU  123   2.98 +/- 0.20  99.366% * 99.0560% (1.00  10.0 10.00   4.75 203.83) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.74 +/- 0.30   0.355% *  0.3057% (0.31   1.0 10.00   0.02   2.47) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   8.92 +/- 1.29   0.198% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.20 +/- 1.22   0.045% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  16.05 +/- 2.30   0.009% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  13.99 +/- 0.85   0.010% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.12 +/- 0.95   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.90 +/- 1.17   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  16.57 +/- 1.02   0.004% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.27 +/- 1.73   0.003% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.27 +/- 0.96   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.48 +/- 2.53   0.000% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 203.8:
    * O T HB3   LEU  123 - QD2   LEU  123   2.21 +/- 0.22  99.990% * 99.6484% (1.00  10.0 10.00   4.47 203.83) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  11.57 +/- 0.82   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.10 +/- 1.05   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.00 +/- 1.83   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  18.74 +/- 2.49   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.10 +/- 1.17   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 203.8:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  93.353% * 98.6685% (0.69  10.0 10.00   4.44 203.83) =  99.998%  kept
          QB    LYS+  66 - QD2   LEU  123   4.58 +/- 1.36   6.170% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD2   LEU  123   8.90 +/- 2.36   0.464% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - QD2   LEU  123  13.19 +/- 2.08   0.004% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  10.84 +/- 0.69   0.006% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.15 +/- 0.80   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  16.95 +/- 0.91   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.47 +/- 1.38   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  17.78 +/- 1.43   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.21 +/- 1.97   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  15.79 +/- 1.66   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  16.77 +/- 0.98   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  25.34 +/- 1.21   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  25.90 +/- 1.43   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 203.8:
    * O T QD1   LEU  123 - QD2   LEU  123   2.09 +/- 0.05  99.571% * 99.6081% (1.00  10.0 10.00   4.91 203.83) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   8.01 +/- 1.80   0.291% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   7.88 +/- 1.47   0.128% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  11.48 +/- 0.97   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.50 +/- 1.58   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  13.78 +/- 1.68   0.002% *  0.0996% (1.00   1.0  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 = 9.18:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.764% * 97.4620% (1.00  10.0 10.00   1.00   9.18) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.64 +/- 0.15   0.048% *  0.0730% (0.07   1.0 10.00   0.02   5.29) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.41 +/- 0.28   0.141% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34   9.86 +/- 1.11   0.014% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.73 +/- 1.39   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.00 +/- 0.92   0.022% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  15.79 +/- 2.24   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.58 +/- 2.00   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.48 +/- 1.54   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.54 +/- 2.23   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  30.09 +/- 1.61   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.80 +/- 1.43   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.55 +/- 0.91   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.60 +/- 0.99   0.004% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.24 +/- 1.28   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  23.35 +/- 2.24   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  21.12 +/- 1.29   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.09 +/- 1.32   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.79 +/- 0.92   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.60 +/- 0.79   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.26 +/- 1.34   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  19.46 +/- 1.95   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.16 +/- 3.07   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.44 +/- 0.92   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.82 +/- 1.99   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.97 +/- 1.12   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  24.52 +/- 4.20   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  34.94 +/- 3.85   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.75 +/- 2.11   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  29.04 +/- 0.84   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 = 9.18:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.995% * 98.8388% (1.00  10.0 10.00   1.00   9.18) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  11.43 +/- 0.68   0.005% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  19.58 +/- 2.00   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.12 +/- 1.42   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.12 +/- 1.09   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.45 +/- 1.40   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.97 +/- 2.20   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  30.68 +/- 1.61   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 203.8:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.54 203.83) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  17.94 +/- 1.20   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  19.97 +/- 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  22.80 +/- 2.76   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  14.86 +/- 0.85   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.60 +/- 1.61   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.54, residual support = 203.8:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.986% * 96.4170% (0.99  10.0 10.00   5.54 203.83) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.04 +/- 0.45   0.012% *  0.0365% (0.38   1.0  1.00   0.02   2.47) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  12.59 +/- 1.35   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  18.84 +/- 2.71   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  18.89 +/- 1.41   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.18 +/- 1.34   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  12.75 +/- 1.60   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.15 +/- 1.35   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.95 +/- 1.53   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.48 +/- 2.12   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  31.37 +/- 3.23   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.48 +/- 1.45   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 = 5.77, residual support = 203.8:
    * O T QD1   LEU  123 - HB3   LEU  123   3.01 +/- 0.21  99.541% * 99.6081% (1.00  10.0 10.00   5.77 203.83) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.07 +/- 2.30   0.320% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  10.52 +/- 1.96   0.109% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.62 +/- 1.48   0.021% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.10 +/- 1.72   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  17.05 +/- 1.98   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 203.8:
    * O T QD2   LEU  123 - HB3   LEU  123   2.21 +/- 0.22  99.956% * 99.9316% (1.00  10.0 10.00   4.47 203.83) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.54 +/- 0.65   0.024% *  0.0486% (0.49   1.0  1.00   0.02   2.47) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.62 +/- 1.48   0.020% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.16, residual support = 203.8:
    * O T HG    LEU  123 - HB3   LEU  123   2.75 +/- 0.12  98.553% * 95.7694% (0.69  10.0 10.00   5.16 203.83) =  99.996%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.80 +/- 2.99   0.304% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HB3   LEU  123   7.00 +/- 1.50   1.109% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.07 +/- 1.21   0.022% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.28 +/- 2.36   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  22.39 +/- 1.70   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.34 +/- 1.27   0.004% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.40 +/- 1.41   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.72 +/- 2.24   0.003% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  18.98 +/- 2.20   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.43 +/- 1.40   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.09 +/- 1.42   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.12 +/- 1.56   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  31.94 +/- 2.03   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 203.8:
    * O T HA    LEU  123 - HB3   LEU  123   2.49 +/- 0.12  99.983% * 99.5102% (1.00  10.0 10.00   5.55 203.83) = 100.000%  kept
          HA    ILE   56 - HB3   LEU  123  15.20 +/- 1.26   0.002% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  16.18 +/- 1.96   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  13.87 +/- 0.64   0.004% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.01 +/- 2.30   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  13.93 +/- 1.21   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  18.85 +/- 2.25   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.97 +/- 2.54   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  24.77 +/- 2.32   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 = 1.0, support = 5.58, residual support = 317.3:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  98.715% * 99.2544% (1.00  10.0   5.58 317.30) =  99.996%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.80 +/- 0.34   1.263% *  0.3063% (0.31  10.0   0.02 317.30) =   0.004%
          HG    LEU  104 - HD3   LYS+ 121   9.33 +/- 2.17   0.017% *  0.0306% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.50 +/- 2.44   0.002% *  0.0795% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.03 +/- 2.48   0.002% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.22 +/- 1.47   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.98 +/- 1.83   0.000% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.78 +/- 1.99   0.000% *  0.0958% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.18 +/- 1.84   0.000% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.35 +/- 1.59   0.000% *  0.0196% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 317.3:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.69 +/- 0.33  99.705% * 99.7211% (1.00  10.0   6.28 317.30) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.54 +/- 0.50   0.127% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.67 +/- 0.76   0.139% *  0.0308% (0.31   1.0   0.02   2.88) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  12.33 +/- 1.61   0.027% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  21.22 +/- 1.68   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.67 +/- 2.80   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 317.3:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.58 +/- 0.30  99.910% * 98.9917% (1.00  10.0 10.00   5.98 317.30) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.05 +/- 1.02   0.013% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.19 +/- 0.69   0.073% *  0.0482% (0.49   1.0  1.00   0.02   2.47) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.45 +/- 1.83   0.003% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.91 +/- 2.82   0.001% *  0.0220% (0.22   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 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.15, residual support = 317.3:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.03 +/- 0.32  99.508% * 99.2313% (1.00  10.0  1.00   7.15 317.30) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.25 +/- 0.93   0.440% *  0.0306% (0.31   1.0  1.00   0.02   2.47) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.52 +/- 1.71   0.014% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.47 +/- 1.89   0.019% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.11 +/- 1.80   0.004% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.28 +/- 2.00   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.04 +/- 1.74   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.31 +/- 0.74   0.005% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  20.24 +/- 1.95   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  28.08 +/- 3.88   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 = 1.0, support = 5.83, residual support = 317.3:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.40 +/- 0.13  99.337% * 99.7880% (1.00  10.0   5.83 317.30) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.12 +/- 1.57   0.662% *  0.0833% (0.84   1.0   0.02  52.82) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  23.76 +/- 2.48   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  25.66 +/- 2.39   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.40 +/- 1.88   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.7, residual support = 315.5:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.11 +/- 0.72  71.440% * 88.1653% (1.00 10.00   6.72 317.30) =  99.437%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.02 +/- 0.83   3.043% * 11.1051% (0.76  1.00   3.30   1.31) =   0.533%  kept
          QB    SER  117 - HD3   LYS+ 121   5.24 +/- 1.33  25.249% *  0.0736% (0.84  1.00   0.02   0.02) =   0.029%
        T HA    LYS+  65 - HD3   LYS+ 121  17.63 +/- 1.86   0.033% *  0.3007% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.23 +/- 1.34   0.184% *  0.0245% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.54 +/- 1.19   0.033% *  0.0874% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.63 +/- 2.08   0.012% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.43 +/- 1.67   0.003% *  0.0834% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.69 +/- 0.97   0.002% *  0.0874% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  29.31 +/- 3.51   0.002% *  0.0362% (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 = 7.72, residual support = 317.3:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.63 +/- 0.19  99.801% * 99.7211% (0.84  10.0 10.00   7.72 317.30) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.99 +/- 0.41   0.073% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.42 +/- 0.44   0.110% *  0.0308% (0.26   1.0  1.00   0.02   2.88) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  11.74 +/- 1.11   0.015% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.43 +/- 0.98   0.000% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.43 +/- 1.71   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 = 7.05, residual support = 317.3:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.42 +/- 0.21  99.921% * 99.5295% (0.84  10.0 10.00   7.05 317.30) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.28 +/- 0.25   0.070% *  0.0484% (0.41   1.0  1.00   0.02   2.47) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.49 +/- 1.12   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  12.43 +/- 0.77   0.006% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  19.76 +/- 1.80   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 = 8.82, residual support = 317.3:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.974% * 97.1314% (0.84  10.0 10.00   8.82 317.30) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.12 +/- 0.50   0.024% *  0.0300% (0.26   1.0  1.00   0.02   2.47) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  12.63 +/- 1.37   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  15.77 +/- 2.09   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.30 +/- 1.17   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.95 +/- 1.61   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  16.31 +/- 0.49   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.59 +/- 1.93   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.53 +/- 1.60   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  27.89 +/- 3.75   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 = 0.814, support = 6.74, residual support = 275.5:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.22 +/- 0.32  77.194% * 60.3281% (0.84  1.00   7.00 317.30) =  84.181%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.40 +/- 0.78  22.799% * 38.3846% (0.70  1.00   5.33  52.82) =  15.819%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.53 +/- 1.38   0.004% *  1.1835% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  24.68 +/- 1.54   0.002% *  0.0772% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.33 +/- 1.48   0.001% *  0.0266% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.23, residual support = 317.3:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.60 +/- 0.21  99.005% * 99.1042% (0.84  10.0 10.00   8.23 317.30) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   6.68 +/- 1.03   0.476% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   LYS+ 121   6.34 +/- 0.18   0.505% *  0.0757% (0.64   1.0  1.00   0.02   1.31) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  16.52 +/- 1.28   0.002% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.69 +/- 0.72   0.009% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.67 +/- 0.91   0.002% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.34 +/- 1.42   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.47 +/- 1.22   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  25.12 +/- 0.83   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  29.37 +/- 3.60   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 = 0.804, support = 8.7, residual support = 317.3:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.432% * 55.3563% (0.84  10.0 10.00   8.82 317.30) =  83.302%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.25 +/- 0.29  20.558% * 42.8727% (0.65  10.0 10.00   8.12 317.30) =  16.698%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.88 +/- 2.01   0.003% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   8.84 +/- 1.03   0.006% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.22 +/- 1.24   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.30 +/- 1.37   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.91 +/- 1.37   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.74 +/- 1.32   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.73 +/- 0.93   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 = 0.783, support = 8.05, residual support = 311.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.60 +/- 0.21  45.486% * 52.0655% (0.84  10.0 10.00   8.23 317.30) =  84.470%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.59   8.231% * 40.3240% (0.65   1.0 10.00   7.63 317.30) =  11.838%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.68 +/- 0.58  45.532% *  2.2150% (0.04  10.0 10.00   5.27 165.66) =   3.597%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.82 +/- 0.81   0.699% *  3.7757% (0.06   1.0 10.00   5.45  26.27) =   0.094%
        T QD    LYS+  66 - HA    LYS+ 121  11.08 +/- 1.88   0.015% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121   9.79 +/- 1.34   0.021% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.35 +/- 1.14   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  11.83 +/- 1.00   0.006% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.23 +/- 1.29   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.57 +/- 1.19   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.28   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.40 +/- 1.73   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.39 +/- 0.52   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.43 +/- 0.98   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.02 +/- 1.27   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 0.82   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.84 +/- 1.13   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.50 +/- 1.73   0.000% *  0.0028% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.967, support = 6.67, residual support = 312.2:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.11 +/- 0.72  25.519% * 97.6597% (1.00   1.0 10.00   6.72 317.30) =  96.642%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.15 +/- 0.56  71.388% *  1.2130% (0.01  10.0 10.00   5.27 165.66) =   3.358%  kept
          QB    ALA   61 - HA    LYS+  65   5.85 +/- 0.48   2.203% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.30 +/- 1.23   0.016% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   7.17 +/- 0.42   0.615% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.53 +/- 0.94   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.19 +/- 1.30   0.008% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.93 +/- 1.12   0.018% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.60 +/- 1.03   0.093% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.47 +/- 1.27   0.016% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.63 +/- 1.86   0.004% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  15.01 +/- 0.36   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  12.98 +/- 1.28   0.025% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.56 +/- 2.17   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.08 +/- 1.13   0.051% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.62 +/- 0.85   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.29 +/- 1.43   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.65 +/- 1.18   0.009% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  19.25 +/- 1.54   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.42 +/- 0.84   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.17 +/- 1.40   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.12 +/- 1.11   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  30.01 +/- 4.07   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.84 +/- 1.68   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.53 +/- 0.79   0.010% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  31.02 +/- 4.98   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.78 +/- 1.65   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  24.83 +/- 2.22   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.06 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 = 6.17, residual support = 228.2:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.732% * 98.6779% (1.00  10.0 10.00   6.17 228.25) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   6.74 +/- 1.37   0.069% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU  115   5.34 +/- 0.63   0.169% *  0.0305% (0.31   1.0  1.00   0.02  15.36) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.21 +/- 1.70   0.009% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.18 +/- 1.40   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   8.98 +/- 1.77   0.015% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.72 +/- 0.80   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.92 +/- 1.60   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  10.38 +/- 1.05   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.62 +/- 0.74   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.46 +/- 1.56   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  19.31 +/- 1.61   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.61 +/- 0.86   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.84 +/- 1.20   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.51 +/- 0.82   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.73 +/- 0.94   0.000% *  0.0032% (0.03   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 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 = 6.2, residual support = 232.1:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.989% * 98.3538% (1.00  10.0 10.00   6.20 232.09) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.10 +/- 1.83   0.010% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.36 +/- 0.84   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.72 +/- 0.40   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.48 +/- 1.99   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  14.67 +/- 0.88   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.75 +/- 1.74   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.57 +/- 1.27   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  20.23 +/- 1.87   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.25 +/- 0.55   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.82 +/- 1.36   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.71 +/- 1.46   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  31.37 +/- 1.20   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.74 +/- 1.17   0.000% *  0.0517% (0.53   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 = 0.934, support = 4.37, residual support = 232.1:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  92.876% * 56.6026% (0.95  10.0   4.30 232.09) =  94.473%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.15 +/- 0.66   7.110% * 43.2573% (0.72  10.0   5.66 232.09) =   5.527%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   9.25 +/- 1.73   0.014% *  0.0212% (0.36   1.0   0.02  27.98) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.50 +/- 1.66   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  23.35 +/- 3.97   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  25.15 +/- 1.49   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 6.81, residual support = 313.7:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  83.362% * 97.3629% (1.00  10.0   6.84 315.02) =  99.578%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.07 +/- 1.46  16.635% *  2.0671% (0.57   1.0   0.75   0.19) =   0.422%
          HB    ILE  119 - HB3   LYS+ 111  10.00 +/- 1.04   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.71 +/- 1.58   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.35 +/- 1.75   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.35 +/- 2.11   0.000% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.63 +/- 1.87   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  26.95 +/- 1.97   0.000% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  24.02 +/- 2.11   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.75 +/- 1.78   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.64 +/- 2.10   0.000% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.84 +/- 1.69   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.22 +/- 0.10  99.938% * 99.7711% (1.00  10.0 10.00   4.31  58.22) = 100.000%  kept
          HG13  ILE  119 - HA    VAL  107   8.51 +/- 0.80   0.039% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HA    VAL  107  11.61 +/- 1.26   0.007% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.12 +/- 1.02   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.42) =   0.000%
          QG1   VAL   24 - HA    VAL  107  15.69 +/- 1.34   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  15.19 +/- 0.94   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.44 +/- 1.42   0.000% *  0.0175% (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 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 58.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.61 +/- 0.10  99.836% * 99.7501% (1.00  10.0 10.00   3.63  58.22) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.60 +/- 1.16   0.037% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.51 +/- 0.60   0.026% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.51 +/- 0.80   0.099% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.33 +/- 0.43   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.44 +/- 1.42   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 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.25, residual support = 42.5:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.86 +/- 0.19  92.904% * 83.8973% (1.00  10.0 10.00   3.24  42.77) =  98.867%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.61 +/- 0.18   5.769% * 15.4684% (0.87   1.0  1.00   4.25  22.95) =   1.132%  kept
          HB    ILE  103 - HA    ASP- 105   6.29 +/- 0.33   0.929% *  0.0832% (0.99   1.0  1.00   0.02   3.92) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.27 +/- 0.31   0.376% *  0.0129% (0.15   1.0  1.00   0.02   3.92) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.51 +/- 0.96   0.010% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.67 +/- 0.79   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  19.10 +/- 1.76   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.23 +/- 0.77   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.24 +/- 1.06   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  18.90 +/- 1.30   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.24 +/- 0.98   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  24.38 +/- 0.74   0.000% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.73 +/- 0.86   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  26.23 +/- 2.90   0.000% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 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 = 3.44, residual support = 42.8:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.979% * 99.5527% (0.95  10.0 10.00   3.44  42.77) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   9.34 +/- 0.70   0.005% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.03 +/- 0.81   0.015% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.77 +/- 0.97   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.65 +/- 1.10   0.001% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.62 +/- 1.15   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  23.28 +/- 1.22   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  19.08 +/- 1.06   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.72 +/- 0.92   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.92, residual support = 139.9:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.75 135.77) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.26 148.26) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.68 +/- 2.19   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  12.08 +/- 1.65   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.60 +/- 1.62   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  21.43 +/- 1.53   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  23.59 +/- 2.64   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.43 +/- 1.49   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.88 +/- 1.26   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.12 +/- 1.75   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.58 +/- 0.91   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  21.60 +/- 2.11   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  24.70 +/- 3.14   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.56 +/- 1.13   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.47 +/- 2.76   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  24.31 +/- 1.80   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.75 +/- 1.50   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  30.09 +/- 2.84   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.92 +/- 1.82   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.34 +/- 1.26   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 = 4.3, residual support = 138.4:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.950% * 99.2815% (0.80  10.0 10.00   4.30 138.43) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.64 +/- 0.39   0.036% *  0.0900% (0.73   1.0  1.00   0.02  22.16) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.02 +/- 0.73   0.013% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  13.27 +/- 1.06   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.14 +/- 1.48   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.90 +/- 0.53   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  17.75 +/- 1.33   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.80 +/- 0.70   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.52 +/- 1.45   0.000% *  0.0652% (0.53   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 = 187.2:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.982% * 99.4757% (0.80  10.0   5.69 187.17) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.61 +/- 0.31   0.015% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.66 +/- 1.97   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.16 +/- 1.24   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.27 +/- 1.86   0.001% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.40 +/- 1.39   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.48 +/- 1.23   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.29 +/- 0.83   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.48 +/- 1.01   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.90 +/- 1.50   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 = 5.08, residual support = 213.9:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.998% * 99.3078% (1.00  10.0 10.00   5.08 213.91) = 100.000%  kept
          HG3   LYS+ 111 - HG13  ILE   89  18.25 +/- 4.76   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  14.04 +/- 2.81   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  21.95 +/- 3.91   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  27.22 +/- 3.12   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  23.39 +/- 3.83   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  22.23 +/- 3.05   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  22.17 +/- 3.29   0.000% *  0.0248% (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 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 +/- 0.01  99.946% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.24 +/- 0.39   0.032% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.77 +/- 0.83   0.013% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  11.78 +/- 1.39   0.006% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  14.51 +/- 1.29   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.49 +/- 0.68   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.31 +/- 0.53   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.80 +/- 0.49   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.59 +/- 1.02   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.34 +/- 0.82   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 = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.995% * 97.5263% (1.00  10.0 10.00   2.81  10.06) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51   9.99 +/- 0.38   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.06 +/- 0.96   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  19.65 +/- 1.27   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  16.99 +/- 1.28   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.57 +/- 0.61   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.89 +/- 0.68   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.92 +/- 1.11   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.23 +/- 0.74   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  37.79 +/- 1.35   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 = 62.3:
    * O   QG2   VAL   24 - QG1   VAL   24   1.99 +/- 0.07  99.998% * 99.5951% (1.00  10.0  1.00   2.70  62.34) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  13.76 +/- 1.21   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  16.67 +/- 1.61   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  20.81 +/- 1.71   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 = 153.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.989% * 99.4743% (1.00  10.0 10.00   6.04 153.23) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.64 +/- 0.54   0.008% *  0.0918% (0.92   1.0  1.00   0.02   8.89) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.47 +/- 1.64   0.002% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.06 +/- 1.17   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.55 +/- 2.95   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  15.85 +/- 2.53   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.44 +/- 1.87   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.04 +/- 1.55   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.93 +/- 1.55   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.75 +/- 1.43   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.87 +/- 0.95   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.12 +/- 1.44   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 = 4.53, residual support = 148.3:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.50 +/- 0.37  98.101% * 99.0807% (1.00  10.0   4.53 148.26) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.71 +/- 1.29   1.496% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.79 +/- 0.72   0.146% *  0.0338% (0.34   1.0   0.02   1.47) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.24 +/- 0.93   0.034% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   7.83 +/- 1.23   0.152% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81  10.15 +/- 0.72   0.031% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.75 +/- 2.23   0.031% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  18.64 +/- 3.96   0.002% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  20.49 +/- 2.31   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  21.05 +/- 4.75   0.001% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.60 +/- 1.60   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.97 +/- 1.31   0.000% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.75 +/- 0.81   0.000% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.87 +/- 2.10   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  25.66 +/- 4.05   0.000% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  22.47 +/- 2.43   0.000% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.81 +/- 2.03   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  21.45 +/- 1.56   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  25.47 +/- 1.66   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  23.66 +/- 1.54   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  21.42 +/- 1.73   0.000% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.85 +/- 1.04   0.000% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  27.72 +/- 3.59   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  29.53 +/- 1.40   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.66, residual support = 148.3:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.32 +/- 0.12  99.997% * 98.2551% (1.00  10.0 10.00   5.66 148.26) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  19.14 +/- 1.27   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  22.36 +/- 2.41   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.89 +/- 1.22   0.002% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.49 +/- 0.84   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.14 +/- 1.68   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.75 +/- 1.71   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 = 0.99, support = 4.8, residual support = 219.7:
    *     QE    LYS+  38 - HA    LYS+  38   4.59 +/- 0.31  62.614% * 93.9543% (1.00  1.00   4.81 221.56) =  98.993%  kept
          QE    LYS+  99 - HA    GLU- 100   6.09 +/- 0.55  13.207% *  4.2865% (0.05  1.00   4.05  39.57) =   0.953%  kept
          QE    LYS+  99 - HA    LYS+  38   6.98 +/- 1.04   7.379% *  0.3500% (0.90  1.00   0.02   0.02) =   0.043%
          QE    LYS+  38 - HA    GLU- 100   6.60 +/- 1.37  10.932% *  0.0236% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  10.77 +/- 1.46   0.690% *  0.3603% (0.92  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    GLU- 100   8.48 +/- 1.25   4.540% *  0.0218% (0.06  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    LYS+  38  14.81 +/- 0.79   0.062% *  0.8690% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  13.48 +/- 0.97   0.111% *  0.0772% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  13.86 +/- 1.46   0.118% *  0.0525% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.09 +/- 0.71   0.348% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.952, support = 4.44, residual support = 162.0:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.23 +/- 0.29  74.310% * 54.8141% (1.00  10.0 10.00   4.27 165.66) =  78.940%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.85 +/- 0.51  25.599% * 42.4513% (0.77  10.0 10.00   5.05 148.26) =  21.060%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.32 +/- 0.46   0.068% *  0.0287% (0.52   1.0  1.00   0.02   1.47) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.88 +/- 1.86   0.018% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.61 +/- 1.53   0.000% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  19.39 +/- 2.09   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.97 +/- 2.09   0.003% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  20.53 +/- 1.85   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.18 +/- 0.65   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.50 +/- 1.07   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.49 +/- 1.12   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.35 +/- 1.83   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  21.94 +/- 4.50   0.000% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.71 +/- 1.52   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.29 +/- 1.75   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  25.39 +/- 4.08   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.22 +/- 1.38   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  21.84 +/- 2.12   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.48 +/- 1.31   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  28.54 +/- 3.73   0.000% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  29.10 +/- 2.42   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  25.40 +/- 2.00   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  24.15 +/- 1.24   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  31.75 +/- 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 = 4.28, residual support = 90.4:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.32 +/- 0.10  99.996% * 99.1144% (1.00  10.0 10.00   4.28  90.40) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  22.87 +/- 2.27   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.48 +/- 1.07   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  17.32 +/- 1.28   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  17.36 +/- 2.04   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.69 +/- 1.61   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.18 +/- 0.83   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  18.17 +/- 1.88   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  26.44 +/- 1.65   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.29 +/- 1.21   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.27 +/- 0.79   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 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 90.4:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.06  90.40) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  20.40 +/- 4.34   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.93 +/- 0.88   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.67 +/- 0.95   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  27.40 +/- 0.86   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.55 +/- 0.98   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  29.30 +/- 2.00   0.000% *  0.0645% (0.65   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   2.36 +/- 0.12  99.985% * 98.5118% (0.76  10.0 10.00   4.31  84.57) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.79 +/- 0.78   0.013% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  15.98 +/- 1.08   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  18.39 +/- 0.73   0.000% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.79 +/- 0.79   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.66 +/- 1.12   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.44 +/- 1.08   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.6:
    * O T HA    GLN   17 - HB3   GLN   17   2.69 +/- 0.32  96.142% * 99.5390% (1.00  10.0 10.00   4.00  84.57) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.12 +/- 0.49   3.778% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17  10.03 +/- 0.97   0.062% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.59 +/- 1.18   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  18.11 +/- 1.78   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.98 +/- 0.64   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  16.88 +/- 1.28   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.31 +/- 0.67   0.003% *  0.0374% (0.38   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 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  99.927% * 97.4347% (1.00  10.0 10.00   4.00  84.57) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.29 +/- 0.32   0.049% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   9.91 +/- 2.50   0.009% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   8.15 +/- 0.83   0.013% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.91 +/- 0.95   0.000% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  11.75 +/- 1.67   0.002% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  14.64 +/- 1.13   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.33 +/- 0.86   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.24 +/- 1.17   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.21 +/- 1.71   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.20 +/- 1.04   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.98 +/- 1.06   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 = 0.95, support = 3.04, residual support = 48.2:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.65 +/- 0.17  80.989% * 72.0932% (1.00  10.0 10.00   2.96  48.69) =  91.999%  kept
      O T HG3   MET   11 - HA    MET   11   3.52 +/- 0.39  18.973% * 26.7625% (0.37  10.0 10.00   4.00  43.10) =   8.001%  kept
        T HG3   MET   11 - HA    GLU-  14  10.63 +/- 0.51   0.020% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  11.42 +/- 1.26   0.016% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.87 +/- 1.05   0.001% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.41 +/- 0.77   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.22 +/- 0.84   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.59 +/- 1.77   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.47 +/- 1.88   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.50 +/- 1.22   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.52 +/- 1.28   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.37 +/- 1.57   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 = 64.0:
    * O T HB2   MET   92 - HA    MET   92   2.99 +/- 0.10  99.279% * 99.5277% (1.00  10.0 10.00   3.87  64.04) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   9.05 +/- 1.60   0.195% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.70 +/- 0.81   0.485% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.88 +/- 0.38   0.026% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.70 +/- 0.80   0.003% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  14.00 +/- 1.07   0.011% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.78 +/- 0.68   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.59 +/- 0.96   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.20 +/- 0.56   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.33 +/- 1.46   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  38.18 +/- 1.07   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 = 0.997, support = 4.2, residual support = 63.3:
    * O T HB3   MET   92 - HA    MET   92   2.74 +/- 0.14  93.768% * 83.8278% (1.00  10.0 10.00   4.19  64.04) =  98.831%  kept
          HG3   PRO   93 - HA    MET   92   4.37 +/- 0.08   5.974% * 15.5542% (0.76   1.0  1.00   4.86   1.46) =   1.168%  kept
          HD2   LYS+ 111 - HA    MET   92  12.27 +/- 2.71   0.105% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   8.35 +/- 0.68   0.140% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  12.98 +/- 0.72   0.009% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  15.57 +/- 0.74   0.003% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.32 +/- 1.23   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.84 +/- 0.45   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.25 +/- 1.29   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  23.10 +/- 1.25   0.000% *  0.0475% (0.57   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 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 64.0:
    * O T HG2   MET   92 - HA    MET   92   2.53 +/- 0.38  89.901% * 99.5593% (1.00  10.0 10.00   2.49  64.04) =  99.993%  kept
          HG2   PRO   52 - HA    MET   92   4.96 +/- 1.76  10.069% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          QG    GLU- 114 - HA    MET   92  11.89 +/- 1.70   0.021% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  13.59 +/- 1.43   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  21.46 +/- 1.47   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.54 +/- 1.50   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  33.90 +/- 1.21   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 0.01 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.0:
    * O T HG3   MET   92 - HA    MET   92   2.89 +/- 0.53  99.543% * 99.3565% (1.00  10.0 10.00   3.97  64.04) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   7.90 +/- 0.40   0.382% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.50 +/- 0.67   0.035% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.96 +/- 1.19   0.023% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.75 +/- 1.04   0.008% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  17.25 +/- 0.61   0.004% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  16.80 +/- 0.84   0.004% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.36 +/- 0.87   0.000% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.88 +/- 0.67   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.43 +/- 1.11   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.44 +/- 0.88   0.000% *  0.0134% (0.14   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 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.47:
          HB    VAL  108 - QB    LYS+ 106   4.09 +/- 0.10  98.461% * 79.8677% (0.92  1.00   1.32   5.47) =  99.981%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.33 +/- 0.79   0.038% * 13.1140% (1.00 10.00   0.02   0.02) =   0.006%
          HB    ILE  119 - QB    LYS+ 106  10.94 +/- 0.66   0.301% *  1.3114% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - QB    LYS+ 106  10.23 +/- 0.70   0.446% *  0.7425% (0.57  1.00   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - QB    LYS+ 106   9.99 +/- 1.41   0.641% *  0.2920% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QB    LYS+ 106  14.67 +/- 0.52   0.048% *  1.2998% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.31 +/- 0.78   0.018% *  1.1375% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.90 +/- 0.80   0.015% *  1.1375% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  18.93 +/- 0.96   0.011% *  0.6383% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.82 +/- 0.77   0.011% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  19.11 +/- 0.95   0.010% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.74 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.6:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  99.936% * 99.8873% (0.76  10.0   4.64  27.64) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.70 +/- 0.63   0.063% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  17.16 +/- 0.90   0.000% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 84.6:
      O   HN    VAL   75 - HA    VAL   75   2.94 +/- 0.00  99.574% * 99.8946% (0.90  10.0   5.27  84.60) = 100.000%  kept
          HN    ASP-  78 - HA    VAL   75   7.33 +/- 0.27   0.426% *  0.1054% (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 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 18.8:
          HA    PHE   45 - HB    VAL   75   3.32 +/- 1.14  99.865% * 89.9031% (0.45   0.75  18.75) =  99.992%  kept
          HA    VAL   41 - HB    VAL   75  12.38 +/- 0.58   0.130% *  5.1606% (0.97   0.02   0.02) =   0.007%
          HA    HIS  122 - HB    VAL   75  20.93 +/- 1.56   0.005% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 5 structures by 0.40 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 18.8:
          QD    PHE   45 - HB    VAL   75   3.57 +/- 0.71  99.987% * 98.5790% (0.87   2.13  18.75) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.70 +/- 1.24   0.011% *  0.7318% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.71 +/- 1.79   0.002% *  0.6892% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 2 structures by 0.24 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 0.02, residual support = 0.17:
        T HZ    PHE   72 - HB    VAL   75  14.28 +/- 0.74  13.779% * 97.5882% (0.80 10.00   0.02   0.02) =  86.606%  kept
          HZ2   TRP   27 - HB    VAL   75   9.84 +/- 2.12  86.221% *  2.4118% (0.20  1.00   0.02   1.14) =  13.394%  kept
    Distance limit 4.03 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.52, residual support = 84.6:
      O   HN    VAL   75 - HB    VAL   75   2.80 +/- 0.48  99.764% * 99.9348% (0.99  10.0   4.52  84.60) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.28 +/- 0.29   0.236% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.43, residual support = 18.8:
        T QE    PHE   45 - QG1   VAL   75   2.97 +/- 0.46  99.876% * 99.5846% (0.34 10.00   2.43  18.75) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.81 +/- 0.37   0.108% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.57 +/- 0.54   0.015% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.8:
          QD    PHE   45 - QG1   VAL   75   2.40 +/- 0.50  99.998% * 99.5822% (1.00   3.10  18.75) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  16.11 +/- 0.79   0.002% *  0.2193% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.86 +/- 1.55   0.001% *  0.1985% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 5.17, residual support = 82.2:
          HN    VAL   75 - QG1   VAL   75   3.51 +/- 0.26  92.972% * 72.1559% (0.90   5.27  84.60) =  97.165%  kept
          HN    ASP-  78 - QG1   VAL   75   5.46 +/- 0.17   7.028% * 27.8441% (0.95   1.93   0.02) =   2.835%  kept
    Distance limit 3.75 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 = 27.6:
          HN    ASP-  76 - QG1   VAL   75   3.02 +/- 0.31  99.740% * 99.1034% (0.41   4.97  27.64) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   8.64 +/- 0.62   0.238% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.77 +/- 0.99   0.022% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.76, support = 0.02, residual support = 0.504:
          HB2   CYS   21 - QG2   VAL   75   5.34 +/- 0.90  97.241% * 67.1992% (0.76   0.02   0.51) =  99.341%  kept
          QE    LYS+  81 - QG2   VAL   75  11.00 +/- 1.35   2.316% * 15.3994% (0.18   0.02   0.02) =   0.542%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.38 +/- 1.50   0.442% * 17.4014% (0.20   0.02   0.02) =   0.117%
    Distance limit 3.60 A violated in 16 structures by 1.72 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.688, support = 0.75, residual support = 14.5:
          HZ    PHE   45 - QG2   VAL   75   3.58 +/- 0.61  64.741% * 63.0260% (0.76   0.75  18.75) =  75.786%  kept
          HZ3   TRP   27 - QG2   VAL   75   4.93 +/- 2.06  35.259% * 36.9740% (0.45   0.75   1.14) =  24.214%  kept
    Distance limit 3.31 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.11, residual support = 18.8:
          QE    PHE   45 - QG2   VAL   75   2.94 +/- 0.56  99.646% * 98.7909% (0.97   2.11  18.75) =  99.997%  kept
          QD    PHE   72 - QG2   VAL   75   8.25 +/- 0.58   0.318% *  0.9673% (1.00   0.02   0.02) =   0.003%
          HZ    PHE   72 - QG2   VAL   75  11.92 +/- 0.76   0.036% *  0.2417% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.803, support = 0.502, residual support = 1.1:
          HE3   TRP   27 - QG2   VAL   75   4.45 +/- 1.76  52.185% * 84.0475% (0.80   0.52   1.14) =  95.988%  kept
          HN    THR   23 - QG2   VAL   75   4.68 +/- 1.23  42.220% *  3.8817% (0.97   0.02   0.02) =   3.587%  kept
          QE    PHE   95 - QG2   VAL   75   7.70 +/- 0.90   4.634% *  3.9425% (0.98   0.02   0.02) =   0.400%
          HD2   HIS   22 - QG2   VAL   75   9.18 +/- 1.07   0.619% *  0.7960% (0.20   0.02   0.02) =   0.011%
          HD1   TRP   49 - QG2   VAL   75  12.13 +/- 1.29   0.220% *  1.2414% (0.31   0.02   0.02) =   0.006%
          QD    PHE   55 - QG2   VAL   75  14.46 +/- 1.07   0.073% *  3.4889% (0.87   0.02   0.02) =   0.006%
          HN    LEU   67 - QG2   VAL   75  14.62 +/- 0.59   0.049% *  2.6020% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 2 structures by 0.35 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.17, residual support = 84.6:
          HN    VAL   75 - QG2   VAL   75   2.86 +/- 0.65  99.481% * 99.5935% (0.90   5.17  84.60) =  99.998%  kept
          HN    ASP-  78 - QG2   VAL   75   7.45 +/- 0.40   0.519% *  0.4065% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.608, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.98 +/- 0.68  97.107% * 48.3894% (0.61   0.02   0.02) =  96.920%  kept
          HN    VAL  108 - QG2   VAL   75  12.64 +/- 0.91   2.893% * 51.6106% (0.65   0.02   0.02) =   3.080%  kept
    Distance limit 3.93 A violated in 20 structures by 3.02 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 = 36.5:
      O   HN    ASP-  76 - HB3   ASP-  76   2.53 +/- 0.52  99.999% * 99.4520% (0.15  10.0   3.76  36.50) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.78 +/- 1.16   0.001% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.74, residual support = 36.5:
      O   HN    ASP-  76 - HB2   ASP-  76   3.07 +/- 0.37  99.826% * 99.6604% (0.41  10.0   3.74  36.50) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76  10.66 +/- 0.75   0.066% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.76 +/- 1.58   0.093% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.76 +/- 1.18   0.002% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.89 +/- 2.17   0.006% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  17.19 +/- 1.42   0.005% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  20.97 +/- 0.92   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.87 +/- 1.15   0.001% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  21.73 +/- 0.83   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.636, residual support = 0.636:
          HN    LEU   80 - HA    THR   77   4.37 +/- 1.15  98.477% * 88.6386% (0.38   0.64   0.64) =  99.921%  kept
          HN    CYS   53 - HA    THR   77  11.38 +/- 0.98   1.213% *  4.4996% (0.61   0.02   0.02) =   0.062%
          HN    THR   26 - HA    THR   77  13.12 +/- 0.75   0.297% *  4.7992% (0.65   0.02   0.02) =   0.016%
          HN    ALA   34 - HA    THR   77  22.08 +/- 1.16   0.013% *  2.0627% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 6 structures by 0.85 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 = 4.58, residual support = 27.5:
      O   HN    ASP-  78 - HA    THR   77   3.55 +/- 0.04  98.319% * 99.8470% (0.65  10.0   4.58  27.48) =  99.997%  kept
          HN    VAL   75 - HA    THR   77   7.12 +/- 0.42   1.681% *  0.1530% (0.99   1.0   0.02   0.34) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.7:
      O   HN    THR   77 - HA    THR   77   2.80 +/- 0.05 100.000% *100.0000% (0.53  10.0   4.01  37.67) = 100.000%  kept
    Distance limit 3.47 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 = 2.67, residual support = 8.71:
        T QD    PHE   45 - QG2   THR   77   4.15 +/- 0.85 100.000% *100.0000% (0.80 10.00   2.67   8.71) = 100.000%  kept
    Distance limit 3.15 A violated in 10 structures by 1.03 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 3.59, residual support = 11.9:
          HN    THR   46 - QG2   THR   77   3.35 +/- 0.37  58.146% * 98.1628% (0.87   3.60  11.98) =  99.684%  kept
          HN    MET   92 - QG2   THR   77   4.85 +/- 2.54  41.686% *  0.4323% (0.69   0.02   0.02) =   0.315%
          HN    LYS+  74 - QG2   THR   77   8.99 +/- 0.59   0.157% *  0.6168% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 112 - QG2   THR   77  13.86 +/- 1.84   0.011% *  0.3311% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.52 +/- 1.28   0.000% *  0.4570% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.7:
          HN    THR   77 - QG2   THR   77   2.05 +/- 0.22 100.000% *100.0000% (0.87   4.01  37.67) = 100.000%  kept
    Distance limit 3.05 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 = 8.17:
          HA    ALA   20 - HB2   LYS+  74   3.77 +/- 0.20  99.671% * 98.6222% (0.61   1.50   8.17) =  99.995%  kept
          HA    LEU   71 - HB2   LYS+  74   9.99 +/- 0.82   0.329% *  1.3778% (0.64   0.02   0.02) =   0.005%
    Distance limit 3.70 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.17:
          HA    ALA   20 - HB3   LYS+  74   3.24 +/- 0.42  99.872% * 99.2963% (0.76   2.96   8.17) =  99.999%  kept
          HA    LEU   71 - HB3   LYS+  74  10.24 +/- 0.77   0.128% *  0.7037% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.2:
      O   HA    LYS+  74 - HB3   LYS+  74   2.95 +/- 0.07  99.982% * 99.8966% (0.80  10.0   6.20 187.17) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.47 +/- 0.51   0.011% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.93 +/- 0.67   0.006% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.41 +/- 0.19 100.000% * 99.9221% (0.49  10.0 10.00   5.98 132.29) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  20.15 +/- 0.78   0.000% *  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 = 0.491, support = 1.39, residual support = 1.12:
          HB3   MET   92 - HB3   PRO   93   5.61 +/- 0.51   8.543% * 75.1118% (0.41  1.00   1.82   1.46) =  76.110%  kept
          QG1   ILE   56 - HB3   PRO   93   3.84 +/- 0.67  82.939% *  1.8021% (0.90  1.00   0.02   0.02) =  17.727%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.39 +/- 2.81   8.257% *  6.2020% (0.31 10.00   0.02   0.02) =   6.074%  kept
        T HB2   LEU   73 - HB3   PRO   93  13.53 +/- 1.03   0.040% * 11.3763% (0.57 10.00   0.02   0.02) =   0.055%
          QD    LYS+ 106 - HB3   PRO   93  11.03 +/- 0.97   0.147% *  1.5356% (0.76  1.00   0.02   0.02) =   0.027%
          HB    ILE   89 - HB3   PRO   93  12.66 +/- 1.40   0.065% *  0.7542% (0.38  1.00   0.02   0.02) =   0.006%
          QD    LYS+  99 - HB3   PRO   93  19.27 +/- 0.65   0.004% *  1.6090% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.99 +/- 0.90   0.004% *  1.6090% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 132.3:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.922% * 99.4465% (0.80  10.0   5.98 132.29) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   6.86 +/- 1.51   0.057% *  0.0853% (0.69   1.0   0.02   0.44) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.33 +/- 1.34   0.014% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.12 +/- 0.86   0.003% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.98 +/- 0.62   0.003% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.58 +/- 1.02   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.80 +/- 1.17   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  24.59 +/- 1.84   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.62 +/- 0.62   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.18 +/- 1.85   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 = 5.1, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.63 +/- 0.19 100.000% *100.0000% (0.92  10.0   5.10 132.29) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.99 +/- 0.70 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 2.03, residual support = 13.9:
          QD1   ILE   19 - HG2   GLN   30   5.08 +/- 1.13  82.561% * 96.1252% (0.95   2.03  13.88) =  99.864%  kept
          QG1   VAL   43 - HG2   GLN   30   8.27 +/- 0.72   6.752% *  0.6876% (0.69   0.02   0.02) =   0.058%
          QG1   VAL   41 - HG2   GLN   30   8.10 +/- 0.72   8.314% *  0.4872% (0.49   0.02   0.02) =   0.051%
          QG2   VAL   18 - HG2   GLN   30  10.04 +/- 0.55   1.709% *  0.8977% (0.90   0.02   0.02) =   0.019%
          QG2   THR   46 - HG2   GLN   30  13.39 +/- 1.13   0.493% *  0.9661% (0.97   0.02   0.02) =   0.006%
          QD2   LEU  104 - HG2   GLN   30  15.69 +/- 0.94   0.171% *  0.8361% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 14 structures by 1.34 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.53:
        T QG2   THR   26 - HG2   GLN   30   2.98 +/- 0.61  99.901% * 87.3618% (0.61 10.00   0.75   4.53) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  13.50 +/- 0.80   0.016% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.07 +/- 1.21   0.003% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30  10.40 +/- 0.88   0.070% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.53 +/- 1.38   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.22 +/- 2.06   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.68 +/- 1.30   0.004% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.14 +/- 1.78   0.004% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.80 +/- 1.72   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.98, residual support = 232.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.53 +/- 0.21  99.985% * 99.8036% (0.95  10.0 10.00   6.98 232.09) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  12.99 +/- 1.75   0.010% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  13.61 +/- 0.65   0.005% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.2, residual support = 232.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.57 +/- 0.28  99.995% * 99.8561% (0.73  10.0 10.00   6.20 232.09) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  14.97 +/- 1.56   0.004% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  17.00 +/- 1.06   0.001% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  29.73 +/- 1.37   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 = 232.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.06 +/- 0.60  99.986% * 99.7523% (0.97  10.0   5.66 232.09) = 100.000%  kept
          HN    THR   46 - HB3   LYS+ 112  16.72 +/- 1.26   0.006% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  15.58 +/- 1.88   0.008% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.53 +/- 1.07   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  39.59 +/- 1.41   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.72, residual support = 232.1:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.52 +/- 0.52  99.908% * 99.6310% (0.84  10.0   5.72 232.09) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.97 +/- 0.79   0.087% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.88 +/- 0.65   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.09 +/- 1.89   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  18.22 +/- 0.59   0.001% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.83 +/- 1.03   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  26.09 +/- 1.87   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  40.22 +/- 1.08   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.0, residual support = 4.62:
          HA    PHE   72 - HB    VAL   42   3.22 +/- 0.91  95.923% * 98.9187% (0.85   2.00   4.62) =  99.990%  kept
          HA    MET   96 - HB    VAL   42   7.50 +/- 0.77   4.059% *  0.2247% (0.19   0.02   0.02) =   0.010%
          HA    PHE   72 - HB2   LYS+ 112  20.41 +/- 0.80   0.003% *  0.6981% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.16 +/- 0.56   0.015% *  0.1586% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 3 structures by 0.21 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.53, residual support = 87.6:
      O   HN    VAL   42 - HB    VAL   42   2.67 +/- 0.33  94.733% * 84.9530% (0.80  10.0   5.55  88.36) =  99.090%  kept
          HN    LEU   73 - HB    VAL   42   4.55 +/- 0.78   4.997% * 14.7819% (0.80   1.0   3.48   1.20) =   0.909%  kept
          HN    ILE   19 - HB    VAL   42   7.54 +/- 0.96   0.217% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.00 +/- 0.98   0.046% *  0.0595% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.35 +/- 0.46   0.006% *  0.0420% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.98 +/- 0.89   0.001% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.93 +/- 0.64   0.001% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.49 +/- 0.87   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.367, support = 1.39, residual support = 3.0:
          QD    PHE   55 - HB2   LYS+ 112   4.01 +/- 1.31  90.644% *  8.3854% (0.12   0.99   3.10) =  54.541%  kept
          QD    PHE   60 - HB    VAL   42   6.91 +/- 0.75   7.226% * 87.5661% (0.66   1.88   2.88) =  45.405%  kept
          HN    LYS+  66 - HB    VAL   42   9.71 +/- 0.77   1.040% *  0.3383% (0.24   0.02   0.02) =   0.025%
          HE3   TRP   27 - HB    VAL   42  10.49 +/- 0.82   0.790% *  0.3034% (0.22   0.02   0.02) =   0.017%
          QD    PHE   60 - HB2   LYS+ 112  12.44 +/- 0.91   0.199% *  0.6562% (0.47   0.02   0.02) =   0.009%
          QD    PHE   55 - HB    VAL   42  16.73 +/- 0.63   0.058% *  0.2408% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB    VAL   42  22.40 +/- 2.59   0.007% *  1.2059% (0.86   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   LYS+ 112  17.43 +/- 1.10   0.030% *  0.2387% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  26.67 +/- 2.17   0.002% *  0.8511% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  23.98 +/- 1.07   0.005% *  0.2141% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 5 structures by 0.54 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.467, support = 0.757, residual support = 4.62:
        T QD    PHE   72 - HB    VAL   42   3.39 +/- 0.64  86.115% * 80.0240% (0.46 10.00   0.75   4.62) =  96.597%  kept
          HZ    PHE   72 - HB    VAL   42   4.82 +/- 0.78  13.503% * 17.9744% (0.78  1.00   0.99   4.62) =   3.402%  kept
          QE    PHE   45 - HB    VAL   42   8.90 +/- 0.72   0.356% *  0.1386% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  16.57 +/- 0.81   0.010% *  1.5082% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  17.71 +/- 1.21   0.007% *  0.2571% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.25 +/- 1.61   0.009% *  0.0978% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.08 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   2.63 +/- 0.25  99.948% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101   9.60 +/- 0.58   0.052% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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   2.83 +/- 0.11  99.951% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.25 +/- 0.56   0.049% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.18:
      O   HN    SER   13 - HA    ALA   12   2.46 +/- 0.17  99.998% * 99.9814% (0.84  10.0   1.72   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.73 +/- 1.00   0.002% *  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 +/- 0.21  99.999% * 99.8617% (0.85  10.0   2.38  12.39) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  21.73 +/- 2.52   0.000% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.46 +/- 1.44   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.72 +/- 1.22   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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   2.86 +/- 0.11  99.997% * 99.7294% (0.46  10.0   2.30  12.39) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  17.94 +/- 1.99   0.002% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  21.37 +/- 1.66   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.80 +/- 1.30   0.000% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.51 +/- 0.12  99.892% * 99.5700% (0.65  10.0   3.51  12.10) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.01 +/- 0.50   0.107% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  22.98 +/- 2.78   0.000% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  19.12 +/- 1.41   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.24 +/- 1.02   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  31.16 +/- 1.72   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.86 +/- 1.14   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  37.00 +/- 1.46   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   3.96 +/- 0.16  99.054% * 98.7259% (0.97   3.57  12.10) =  99.998%  kept
          HN    ALA   12 - HB3   GLU-  14   9.28 +/- 1.09   0.924% *  0.1963% (0.34   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   GLU-  14  17.95 +/- 1.95   0.014% *  0.1152% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  24.02 +/- 3.17   0.003% *  0.3244% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.11 +/- 1.49   0.004% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  31.70 +/- 1.96   0.000% *  0.2355% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.08 +/- 1.81   0.001% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  37.17 +/- 1.79   0.000% *  0.2355% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 2.12, residual support = 6.72:
      O   HN    GLU-  14 - HA    SER   13   2.37 +/- 0.17  99.981% * 99.1146% (0.92  10.0   2.12   6.72) = 100.000%  kept
          HN    GLN   30 - HA    SER   37  12.80 +/- 0.47   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  15.03 +/- 1.95   0.003% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.26 +/- 0.48   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  15.20 +/- 1.37   0.002% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  18.39 +/- 2.20   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.28 +/- 1.42   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.73 +/- 2.69   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.06 +/- 0.40   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.95 +/- 0.87   0.000% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.97 +/- 1.70   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.44 +/- 0.26   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  20.42 +/- 2.34   0.000% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.75 +/- 1.15   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.56 +/- 0.78   0.000% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  23.85 +/- 1.46   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  34.29 +/- 3.37   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  32.66 +/- 3.42   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 = 0.596, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.21 +/- 1.32  14.742% * 21.8157% (0.99   0.02   0.02) =  30.318%  kept
          HN    LEU   73 - HA    THR   46  11.12 +/- 0.46  35.368% *  7.5418% (0.34   0.02   0.02) =  25.146%  kept
          HN    ILE   19 - HA    THR   46  13.46 +/- 0.68  11.400% * 13.2032% (0.60   0.02   0.02) =  14.190%  kept
          HN    VAL   42 - HA    SER   37  12.81 +/- 0.80  15.203% *  6.6588% (0.30   0.02   0.02) =   9.544%  kept
          HN    ILE   19 - HA    SER   37  15.02 +/- 1.28   6.426% * 11.6574% (0.53   0.02   0.02) =   7.062%  kept
          HN    VAL   42 - HA    THR   46  14.30 +/- 0.27   7.603% *  7.5418% (0.34   0.02   0.02) =   5.406%  kept
          HN    LEU   73 - HA    SER   37  15.63 +/- 1.06   4.648% *  6.6588% (0.30   0.02   0.02) =   2.918%  kept
          HN    LEU   73 - HA    SER   13  17.52 +/- 1.38   2.463% * 12.4613% (0.57   0.02   0.02) =   2.893%  kept
          HN    VAL   42 - HA    SER   13  17.84 +/- 1.16   2.147% * 12.4613% (0.57   0.02   0.02) =   2.523%  kept
    Distance limit 3.33 A violated in 20 structures by 5.95 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.72, residual support = 27.7:
      O   HN    SER   37 - HB3   SER   37   2.52 +/- 0.17  99.990% * 99.5355% (0.83  10.0   3.72  27.70) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.34 +/- 2.42   0.004% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  14.59 +/- 0.67   0.003% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.67 +/- 1.71   0.002% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.47 +/- 1.19   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.11 +/- 1.22   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  30.05 +/- 2.95   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  31.32 +/- 2.82   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.652, support = 0.0199, residual support = 0.0199:
          HA    PHE   59 - HB3   GLU-  14  19.88 +/- 1.44  63.894% * 22.8936% (0.69   0.02   0.02) =  76.993%  kept
          HA    LEU  104 - HB3   GLU-  14  25.44 +/- 1.31  14.838% * 12.5086% (0.38   0.02   0.02) =   9.769%  kept
          HA    TRP   87 - HB3   GLU-  14  32.65 +/- 4.41   4.361% * 33.2545% (1.00   0.02   0.02) =   7.633%  kept
          HA    PHE   59 - HG3   MET   11  29.70 +/- 1.92   6.653% *  8.1279% (0.24   0.02   0.02) =   2.846%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.95 +/- 1.92   5.468% *  5.1424% (0.15   0.02   0.02) =   1.480%  kept
          HA    LEU  104 - HG3   MET   11  33.78 +/- 2.39   2.900% *  4.4409% (0.13   0.02   0.02) =   0.678%  kept
          HA    TRP   87 - HG3   MET   11  42.48 +/- 4.82   0.798% * 11.8063% (0.35   0.02   0.02) =   0.496%
          HA    ASP- 113 - HG3   MET   11  39.67 +/- 2.17   1.088% *  1.8257% (0.05   0.02   0.02) =   0.105%
    Distance limit 3.53 A violated in 20 structures by 14.94 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 = 48.7:
      O   HN    GLU-  14 - HB3   GLU-  14   3.35 +/- 0.30  99.787% * 99.5831% (0.92  10.0   3.76  48.69) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.66 +/- 0.63   0.194% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.47 +/- 2.36   0.004% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  16.25 +/- 1.84   0.011% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.77 +/- 1.37   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  24.11 +/- 2.93   0.001% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.05 +/- 2.67   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  29.82 +/- 2.40   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  30.36 +/- 3.02   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  39.95 +/- 3.79   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 = 3.76, residual support = 48.7:
      O   HN    GLU-  14 - HB2   GLU-  14   2.50 +/- 0.48  99.883% * 99.3938% (0.49  10.0   3.76  48.69) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.36 +/- 0.95   0.112% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  17.56 +/- 1.78   0.002% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.08 +/- 1.98   0.001% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.97 +/- 1.14   0.001% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  20.66 +/- 2.28   0.001% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  23.68 +/- 3.45   0.000% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.49 +/- 2.79   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  29.32 +/- 2.87   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.09 +/- 0.60   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.79 +/- 1.30   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.90 +/- 1.20   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.04:
      O   HN    GLY   16 - HA    GLU-  15   2.50 +/- 0.16  99.993% * 99.5949% (0.97  10.0   2.07   6.04) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  13.08 +/- 0.85   0.005% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.50 +/- 0.84   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  18.13 +/- 1.12   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.86 +/- 1.15   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  27.48 +/- 3.53   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  27.88 +/- 1.93   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.31 +/- 1.13   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  29.17 +/- 4.62   0.000% *  0.0131% (0.13   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 = 5.98, residual support = 105.3:
      O   HN    ASN   28 - HA    ASN   28   2.70 +/- 0.02  99.999% * 99.8927% (0.84  10.0   5.98 105.25) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.25 +/- 0.87   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 2.57, residual support = 18.1:
        T HB2   LEU   31 - HA    ASN   28   3.48 +/- 0.17  98.663% * 93.5437% (0.38 10.00   2.57  18.07) =  99.998%  kept
          HG    LEU   98 - HA    ASN   28  10.43 +/- 1.21   0.200% *  0.2405% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.69 +/- 0.65   0.464% *  0.0935% (0.38  1.00   0.02   4.00) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   8.90 +/- 1.51   0.549% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASN   28  16.91 +/- 2.75   0.010% *  2.4869% (1.00 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  16.79 +/- 5.13   0.026% *  0.1311% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.84 +/- 0.30   0.041% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  15.08 +/- 0.80   0.016% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.12 +/- 1.42   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  16.96 +/- 1.46   0.010% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  16.48 +/- 1.81   0.012% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.19 +/- 1.00   0.003% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.83 +/- 0.70   0.004% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  23.47 +/- 1.28   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  25.95 +/- 1.90   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.68 +/- 0.96   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 18.1:
          HG    LEU   31 - HA    ASN   28   3.35 +/- 0.94  97.385% * 97.1720% (0.61   3.00  18.07) =  99.977%  kept
          QD2   LEU   73 - HA    ASN   28   7.15 +/- 0.44   2.605% *  0.8162% (0.76   0.02   4.00) =   0.022%
          QD1   ILE   56 - HA    ASN   28  19.75 +/- 1.08   0.005% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  22.97 +/- 1.73   0.002% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.20 +/- 1.73   0.003% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.26 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   2.85 +/- 0.13  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.44 +/- 1.22   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.79 +/- 1.48   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 = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.51 +/- 0.05  99.706% * 99.5709% (0.65  10.0   3.26  16.52) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  10.31 +/- 1.14   0.208% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  11.70 +/- 0.83   0.082% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.54 +/- 0.31   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.78 +/- 0.66   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  32.90 +/- 4.12   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  30.84 +/- 2.32   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.14 +/- 0.07  99.721% * 99.5709% (0.65  10.0   3.26  16.52) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   9.19 +/- 1.12   0.216% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  10.98 +/- 0.80   0.060% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.62 +/- 0.48   0.002% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  25.89 +/- 0.82   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  31.92 +/- 4.19   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  29.96 +/- 2.38   0.000% *  0.0749% (0.49   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   2.31 +/- 0.13 100.000% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.27 +/- 1.26   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  28.17 +/- 1.54   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.23 +/- 1.07   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  27.65 +/- 1.26   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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   2.36 +/- 0.12  99.047% * 99.0943% (0.58  10.0 10.00   4.31  84.57) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   7.23 +/- 1.22   0.314% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.44 +/- 0.28   0.259% *  0.0260% (0.15   1.0  1.00   0.02  32.76) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.22 +/- 1.50   0.022% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.79 +/- 0.78   0.013% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   6.75 +/- 0.56   0.214% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.73 +/- 0.99   0.026% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.79 +/- 0.59   0.042% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.26 +/- 0.47   0.030% *  0.0066% (0.04   1.0  1.00   0.02   2.74) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.01 +/- 1.17   0.025% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  12.98 +/- 0.66   0.004% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.37 +/- 1.06   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.32 +/- 0.81   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.31 +/- 1.11   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.92 +/- 1.23   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.23 +/- 1.01   0.002% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.77 +/- 0.89   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.11 +/- 1.19   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 = 0.491, support = 5.49, residual support = 84.1:
          HN    GLN   17 - QG    GLN   17   2.71 +/- 0.63  92.219% * 88.7309% (0.49   5.50  84.57) =  99.146%  kept
          HD21  ASN   69 - HB    VAL   70   5.22 +/- 0.98   7.355% *  9.5747% (0.07   4.18  25.96) =   0.853%  kept
          HN    ALA   61 - QG    GLN   17  10.49 +/- 0.85   0.080% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.00 +/- 0.80   0.283% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.24 +/- 1.30   0.024% *  0.2234% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.10 +/- 0.64   0.024% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.63 +/- 1.13   0.010% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.80 +/- 0.95   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  26.94 +/- 3.83   0.000% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  24.88 +/- 2.27   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.05 +/- 0.88   0.004% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  24.31 +/- 1.10   0.000% *  0.0420% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  29.04 +/- 4.05   0.000% *  0.0817% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  27.84 +/- 2.39   0.000% *  0.0497% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.83 +/- 0.63  98.188% * 99.7451% (0.76   5.81  50.07) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   8.76 +/- 1.23   1.258% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70   9.72 +/- 0.70   0.493% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.58 +/- 1.21   0.020% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.06 +/- 1.06   0.026% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.39 +/- 0.77   0.015% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.06 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   3.12 +/- 0.30  99.901% * 99.5709% (0.65  10.0   5.17  84.57) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  11.35 +/- 1.03   0.070% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.05 +/- 1.03   0.023% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.42 +/- 0.80   0.005% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.06 +/- 0.76   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  29.98 +/- 4.36   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  27.62 +/- 2.49   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.84 +/- 0.08  99.644% * 99.8372% (1.00   5.47  50.07) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.23 +/- 0.98   0.348% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.73 +/- 0.96   0.008% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.09 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   2.69 +/- 0.32  98.242% * 99.4149% (0.76  10.0 10.00   4.00  84.57) =  99.998%  kept
          QB    LYS+  65 - HA    GLN   17   6.13 +/- 0.89   1.602% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    GLN   17   8.96 +/- 0.81   0.108% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  11.14 +/- 1.18   0.041% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.17 +/- 0.82   0.004% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.22 +/- 1.25   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.60 +/- 0.68   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.83 +/- 1.11   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  21.05 +/- 1.20   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.6:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.822% * 94.0226% (0.18  10.0 10.00   4.00  84.57) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.29 +/- 0.32   0.049% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HB3   PRO   68   9.91 +/- 2.50   0.009% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.63 +/- 1.78   0.038% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.90 +/- 0.52   0.031% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.20 +/- 0.97   0.014% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   8.40 +/- 0.90   0.010% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   9.86 +/- 1.28   0.007% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15   9.22 +/- 1.24   0.014% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.63 +/- 0.94   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.63 +/- 1.19   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.15 +/- 0.86   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.06 +/- 1.30   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.69 +/- 0.54   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.55 +/- 0.96   0.000% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.58 +/- 1.30   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.11 +/- 0.80   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.91 +/- 0.82   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  20.33 +/- 1.34   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.39 +/- 1.20   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  24.12 +/- 1.11   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.79 +/- 0.63   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.98 +/- 0.98   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.74 +/- 0.84   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.28 +/- 1.23   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.35 +/- 1.08   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.23 +/- 1.09   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.5:
      O   HA    PRO   68 - HB3   PRO   68   2.30 +/- 0.00  96.682% * 99.9155% (0.19  10.0   2.96  36.49) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15   4.68 +/- 1.14   3.282% *  0.0447% (0.08   1.0   0.02   0.02) =   0.002%
          HA    PRO   68 - HB2   GLN   17   9.46 +/- 1.76   0.036% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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   2.81 +/- 0.34  98.773% * 97.9601% (0.24   5.47  50.07) =  99.998%  kept
          HN    SER   13 - QB    GLU-  15   6.57 +/- 0.61   0.920% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    GLU-  15   8.41 +/- 0.23   0.196% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    VAL   18 - HB3   PRO   68  10.89 +/- 2.12   0.055% *  0.8982% (0.61   0.02   0.02) =   0.001%
          HN    SER   13 - HB3   PRO   68  13.02 +/- 2.51   0.017% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.18 +/- 0.84   0.034% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  17.93 +/- 0.66   0.002% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.13 +/- 0.64   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.24 +/- 1.46   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.40 +/- 0.02 100.000% * 99.9233% (0.84  10.0   5.47  50.07) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.91 +/- 0.42   0.000% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  26.73 +/- 1.80   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.44:
        T QB    ALA   64 - HA    GLN   17   3.37 +/- 0.61  99.672% * 97.4175% (0.69 10.00   1.22   2.44) =  99.996%  kept
        T QG1   VAL   42 - HA    GLN   17   9.47 +/- 0.81   0.312% *  1.1293% (0.49 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HA    GLN   17  15.94 +/- 0.89   0.013% *  1.4072% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  20.74 +/- 1.82   0.003% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 3 structures by 0.46 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.5:
      O   HN    VAL   18 - HB    VAL   18   2.49 +/- 0.36  99.998% * 99.9233% (0.84  10.0   4.99  77.50) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.29 +/- 0.60   0.002% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  22.55 +/- 1.74   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 5.97:
        T HB2   PHE   72 - HA    VAL   18   2.58 +/- 0.56  96.902% * 99.1293% (0.49 10.00   1.50   5.97) =  99.991%  kept
          HA    ALA   64 - HA    VAL   18   5.01 +/- 0.59   3.096% *  0.2662% (0.98  1.00   0.02   8.49) =   0.009%
        T HB3   ASN   35 - HA    VAL   18  18.46 +/- 1.01   0.001% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.89, residual support = 22.6:
      O   HN    ILE   19 - HA    VAL   18   2.25 +/- 0.03  99.482% * 99.7159% (0.73  10.0   4.89  22.60) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.61 +/- 0.35   0.454% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   7.81 +/- 0.52   0.063% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.79 +/- 0.63   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.595, support = 0.0199, residual support = 0.0878:
          HG    LEU   73 - QG1   VAL   18   5.72 +/- 0.73  53.455% *  8.7275% (0.61   0.02   0.02) =  69.428%  kept
          QB    ALA   61 - QG1   VAL   18   6.45 +/- 0.67  30.584% *  2.2202% (0.15   0.02   0.69) =  10.105%  kept
          HG    LEU   67 - QG1   VAL   18   9.23 +/- 1.68   4.715% * 14.3572% (1.00   0.02   0.02) =  10.074%  kept
          HB3   LEU   67 - QG1   VAL   18   8.81 +/- 1.46   5.857% *  3.5880% (0.25   0.02   0.02) =   3.127%  kept
          HG    LEU   40 - QG1   VAL   18  10.85 +/- 1.21   1.197% * 14.2618% (0.99   0.02   0.02) =   2.541%  kept
          HB3   LEU   40 - QG1   VAL   18  10.41 +/- 1.26   1.611% *  6.4511% (0.45   0.02   0.02) =   1.547%  kept
          QG    LYS+  66 - QG1   VAL   18  10.37 +/- 0.70   1.526% *  5.9156% (0.41   0.02   0.02) =   1.343%  kept
          HB3   LEU  115 - QG1   VAL   18  12.81 +/- 1.04   0.426% * 14.2618% (0.99   0.02   0.02) =   0.905%  kept
          HG    LEU  115 - QG1   VAL   18  13.46 +/- 1.12   0.367% *  9.8840% (0.69   0.02   0.02) =   0.540%  kept
          QB    ALA  120 - QG1   VAL   18  14.46 +/- 0.81   0.204% *  9.8840% (0.69   0.02   0.02) =   0.299%
          HG2   LYS+ 102 - QG1   VAL   18  17.78 +/- 0.92   0.058% * 10.4487% (0.73   0.02   0.02) =   0.090%
    Distance limit 2.87 A violated in 20 structures by 2.21 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 = 9.17:
        T QB    ALA   34 - QG1   VAL   41   2.24 +/- 0.29  99.685% * 97.8928% (0.49 10.00   2.96   9.17) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.73 +/- 0.59   0.010% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.27 +/- 1.25   0.077% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.11 +/- 0.83   0.037% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.64 +/- 0.78   0.089% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.11 +/- 0.79   0.018% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.38 +/- 0.96   0.003% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  11.60 +/- 0.91   0.009% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  13.91 +/- 0.53   0.002% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.43 +/- 0.52   0.046% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104   9.99 +/- 1.13   0.017% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  16.95 +/- 1.25   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  18.89 +/- 2.16   0.000% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.93 +/- 1.10   0.001% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  16.97 +/- 1.24   0.001% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.76 +/- 0.66   0.003% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  16.64 +/- 0.99   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  21.06 +/- 1.45   0.000% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.9, residual support = 73.6:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  84.336% * 97.9411% (0.84  10.0 10.00   3.90  73.64) =  99.997%  kept
          HB2   LEU   71 - QG1   VAL   41   4.54 +/- 1.04   1.693% *  0.0805% (0.69   1.0  1.00   0.02   3.04) =   0.002%
          QB    LYS+ 102 - QD2   LEU  104   3.19 +/- 0.68  12.541% *  0.0053% (0.04   1.0  1.00   0.02   0.14) =   0.001%
          QB    LYS+ 102 - QG1   VAL   41   6.59 +/- 0.94   0.122% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.13 +/- 0.66   0.571% *  0.0177% (0.15   1.0  1.00   0.02  50.07) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   6.65 +/- 0.83   0.121% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   6.69 +/- 0.76   0.130% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.07 +/- 0.80   0.005% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.62 +/- 0.70   0.022% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.23 +/- 0.87   0.033% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.56 +/- 0.83   0.378% *  0.0043% (0.04   1.0  1.00   0.02  37.93) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.87 +/- 0.78   0.019% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.72 +/- 0.78   0.003% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.78 +/- 0.91   0.002% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.51 +/- 0.43   0.001% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.84 +/- 1.42   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.09 +/- 1.84   0.001% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.14 +/- 1.34   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.58 +/- 1.25   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.32 +/- 0.60   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.30 +/- 0.82   0.000% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.58 +/- 1.35   0.004% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.07 +/- 0.82   0.001% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.05 +/- 1.00   0.005% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  12.15 +/- 1.49   0.003% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.13 +/- 1.31   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.74 +/- 0.94   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.57 +/- 0.57   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.41 +/- 1.18   0.000% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.00   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 = 0.577, support = 2.72, residual support = 14.3:
          HB3   LEU   40 - QG1   VAL   41   4.98 +/- 0.14   5.550% * 83.5902% (0.46   3.79  20.11) =  70.557%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.30 +/- 1.71  13.940% *  8.5570% (0.76   0.24   0.02) =  18.141%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.48 +/- 0.99  78.199% *  0.9431% (0.99   0.02   0.99) =  11.216%  kept
          QG2   THR   26 - QG2   VAL   18   8.54 +/- 0.42   0.223% *  0.7948% (0.84   0.02   0.02) =   0.027%
          QG2   THR   26 - QG1   VAL   41   8.95 +/- 0.43   0.173% *  0.6074% (0.64   0.02   0.02) =   0.016%
          HB3   LEU   40 - QD2   LEU  104   7.14 +/- 1.10   1.114% *  0.0887% (0.09   0.02   0.02) =   0.015%
          QD    LYS+  66 - QG2   VAL   18   9.74 +/- 0.93   0.130% *  0.2937% (0.31   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  10.98 +/- 1.15   0.060% *  0.5771% (0.61   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - QD2   LEU  104   8.38 +/- 1.13   0.343% *  0.1004% (0.11   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QG1   VAL   41  12.09 +/- 0.67   0.027% *  0.7207% (0.76   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QG1   VAL   41  13.21 +/- 1.63   0.024% *  0.4995% (0.52   0.02   0.02) =   0.002%
          HG    LEU  115 - QG2   VAL   18  12.80 +/- 1.24   0.023% *  0.3571% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.39 +/- 1.61   0.008% *  0.6536% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104   9.98 +/- 0.83   0.090% *  0.0549% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.01 +/- 0.96   0.009% *  0.5557% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.87 +/- 0.96   0.013% *  0.3571% (0.38   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.46 +/- 0.80   0.015% *  0.2244% (0.24   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  13.86 +/- 0.92   0.012% *  0.2729% (0.29   0.02   0.02) =   0.001%
          HG    LEU  115 - QG1   VAL   41  16.62 +/- 0.99   0.004% *  0.2729% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.09 +/- 1.35   0.020% *  0.0451% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.16 +/- 0.77   0.007% *  0.1221% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.14 +/- 0.99   0.003% *  0.1449% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.80 +/- 0.71   0.008% *  0.0549% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.04 +/- 1.09   0.004% *  0.1117% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.865, support = 0.0199, residual support = 0.689:
        T HA    ALA   61 - QG2   VAL   18   4.38 +/- 0.61  95.782% * 46.5616% (0.87 10.00   0.02   0.69) =  99.686%  kept
        T HA    ALA   61 - QG1   VAL   41  14.12 +/- 0.56   0.101% * 35.5837% (0.66 10.00   0.02   0.02) =   0.080%
          HD2   PRO   68 - QG2   VAL   18  10.46 +/- 0.92   0.632% *  5.2615% (0.98  1.00   0.02   0.02) =   0.074%
          HA    VAL   24 - QG1   VAL   41   9.61 +/- 1.06   1.260% *  1.9968% (0.37  1.00   0.02   0.02) =   0.056%
          HD2   PRO   68 - QG1   VAL   41  11.10 +/- 0.81   0.516% *  4.0210% (0.75  1.00   0.02   0.02) =   0.046%
          HA    VAL   24 - QG2   VAL   18  10.95 +/- 0.52   0.554% *  2.6128% (0.49  1.00   0.02   0.02) =   0.032%
          HD3   PRO   58 - QG2   VAL   18  10.15 +/- 0.56   0.721% *  1.0623% (0.20  1.00   0.02   0.02) =   0.017%
          HD2   PRO   68 - QD2   LEU  104  12.25 +/- 1.12   0.274% *  0.8085% (0.15  1.00   0.02   0.02) =   0.005%
          HA    ALA   61 - QD2   LEU  104  16.37 +/- 1.02   0.043% *  0.7155% (0.13  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD2   LEU  104  15.82 +/- 1.40   0.064% *  0.4015% (0.07  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG1   VAL   41  17.91 +/- 0.56   0.026% *  0.8118% (0.15  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.09 +/- 0.96   0.025% *  0.1632% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 17 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.2, residual support = 73.6:
      O T HA    VAL   41 - QG1   VAL   41   2.88 +/- 0.18  98.722% * 98.8372% (0.65  10.0 10.00   4.20  73.64) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18   9.45 +/- 0.75   0.101% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   18   7.90 +/- 0.66   0.301% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.85 +/- 0.69   0.135% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.72 +/- 0.31   0.014% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.46 +/- 1.53   0.043% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   7.64 +/- 1.42   0.673% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  14.16 +/- 1.03   0.008% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  16.25 +/- 0.80   0.003% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.679:
          QD    PHE   60 - QG1   VAL   18   4.64 +/- 0.70  95.193% * 36.4324% (1.00   0.02   0.69) =  97.798%  kept
          HN    LYS+  66 - QG1   VAL   18   9.05 +/- 0.83   2.118% * 25.0257% (0.69   0.02   0.02) =   1.495%  kept
          QE    PHE   59 - QG1   VAL   18   8.76 +/- 1.26   2.543% *  8.1111% (0.22   0.02   0.02) =   0.582%  kept
          HN    LYS+  81 - QG1   VAL   18  14.83 +/- 1.26   0.146% * 30.4309% (0.84   0.02   0.02) =   0.125%
    Distance limit 3.03 A violated in 17 structures by 1.57 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 = 77.5:
          HN    VAL   18 - QG1   VAL   18   3.56 +/- 0.16  99.962% * 99.8233% (0.92   5.49  77.50) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.43 +/- 0.98   0.038% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.40 +/- 0.29  98.866% * 88.9031% (0.31   0.99   0.99) =  99.945%  kept
          HN    THR   46 - QG1   VAL   18   7.45 +/- 0.51   1.094% *  4.2388% (0.73   0.02   0.02) =   0.053%
          HN    MET   92 - QG1   VAL   18  13.51 +/- 1.40   0.034% *  5.2351% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  17.72 +/- 0.81   0.006% *  1.6230% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.89, residual support = 22.6:
          HN    ILE   19 - QG1   VAL   18   2.43 +/- 0.25  92.630% * 99.8065% (0.84   4.89  22.60) =  99.992%  kept
          HN    LEU   73 - QG1   VAL   18   3.95 +/- 0.81   7.167% *  0.0968% (0.20   0.02   0.02) =   0.007%
          HN    VAL   42 - QG1   VAL   18   6.87 +/- 0.88   0.203% *  0.0968% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.801, support = 0.699, residual support = 0.689:
          QD    PHE   60 - QG2   VAL   18   4.12 +/- 0.65  92.364% * 77.2173% (0.80   0.70   0.69) =  99.330%  kept
          HN    LYS+  66 - QG2   VAL   18   7.70 +/- 0.78   3.721% * 11.7969% (0.98   0.09   0.02) =   0.611%  kept
          QE    PHE   59 - QG2   VAL   18   8.52 +/- 1.13   1.451% *  1.5521% (0.57   0.02   0.02) =   0.031%
          QD    PHE   60 - QG1   VAL   41  11.15 +/- 0.51   0.336% *  1.6776% (0.61   0.02   0.02) =   0.008%
          HN    PHE   59 - QG2   VAL   18   9.46 +/- 0.57   0.766% *  0.6103% (0.22   0.02   0.02) =   0.007%
          QE    PHE   59 - QG1   VAL   41  11.05 +/- 1.33   0.332% *  1.1861% (0.43   0.02   0.02) =   0.005%
          HN    LYS+  66 - QG1   VAL   41  13.04 +/- 0.41   0.127% *  2.0536% (0.75   0.02   0.02) =   0.004%
          QE    PHE   59 - QD2   LEU  104  10.31 +/- 0.91   0.511% *  0.2385% (0.09   0.02   0.02) =   0.002%
          QD    PHE   60 - QD2   LEU  104  13.30 +/- 1.02   0.178% *  0.3373% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG2   VAL   18  15.72 +/- 1.19   0.045% *  1.2291% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  104  14.00 +/- 1.02   0.095% *  0.4129% (0.15   0.02   0.02) =   0.001%
          HN    PHE   59 - QG1   VAL   41  16.48 +/- 0.52   0.029% *  0.4664% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  20.75 +/- 2.89   0.010% *  0.9393% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  16.44 +/- 0.99   0.032% *  0.0938% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  25.47 +/- 3.06   0.003% *  0.1889% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 12 structures by 1.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.27, residual support = 77.5:
          HN    VAL   18 - QG2   VAL   18   2.23 +/- 0.56  99.756% * 98.1466% (0.61   5.27  77.50) = 100.000%  kept
          HN    GLN   30 - QG1   VAL   41   7.61 +/- 0.63   0.170% *  0.1170% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.41 +/- 0.58   0.046% *  0.3406% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.73 +/- 0.46   0.005% *  0.4457% (0.73   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  12.62 +/- 0.59   0.006% *  0.2845% (0.46   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.33 +/- 0.48   0.009% *  0.1530% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  18.41 +/- 1.61   0.001% *  0.1894% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.84 +/- 0.93   0.002% *  0.0685% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.28 +/- 0.90   0.003% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  20.73 +/- 2.70   0.000% *  0.1448% (0.24   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.03 +/- 0.83   0.001% *  0.0572% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  24.55 +/- 3.02   0.000% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.52, residual support = 73.6:
          HN    VAL   41 - QG1   VAL   41   2.01 +/- 0.20  99.785% * 98.4840% (0.14   4.52  73.64) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.56 +/- 0.66   0.164% *  0.0234% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.39 +/- 0.57   0.003% *  0.6377% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.64 +/- 0.21   0.043% *  0.0343% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.47 +/- 0.81   0.004% *  0.3333% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  15.08 +/- 0.88   0.001% *  0.4873% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.1:
          HN    VAL   83 - QG1   VAL   83   2.56 +/- 0.49  99.947% * 98.5350% (0.36   5.34  87.12) = 100.000%  kept
          HN    CYS   50 - QG1   VAL   83  13.07 +/- 1.27   0.022% *  0.7789% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  12.26 +/- 1.34   0.024% *  0.5084% (0.49   0.02   0.02) =   0.000%
          HE22  GLN   30 - QG1   VAL   83  14.74 +/- 2.39   0.006% *  0.1777% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.524, support = 0.0199, residual support = 0.0199:
          QG1   VAL   24 - QG1   VAL   83   6.76 +/- 2.82  70.397% *  3.7876% (0.46  1.00   0.02   0.02) =  53.194%  kept
        T QG1   VAL  107 - QG1   VAL   83  15.65 +/- 3.28   1.939% * 62.4465% (0.75 10.00   0.02   0.02) =  24.162%  kept
          QG2   VAL   24 - QG1   VAL   83   8.07 +/- 3.37  26.794% *  3.7876% (0.46  1.00   0.02   0.02) =  20.246%  kept
        T HG    LEU   63 - QG1   VAL   83  19.43 +/- 2.53   0.393% * 27.0188% (0.33 10.00   0.02   0.02) =   2.117%  kept
          HD3   LYS+ 112 - QG1   VAL   83  22.05 +/- 3.87   0.477% *  2.9596% (0.36  1.00   0.02   0.02) =   0.282%
    Distance limit 2.93 A violated in 15 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.462, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.16 +/- 0.31  14.200% * 27.9530% (0.14 10.00   0.02   0.02) =  38.060%  kept
          HB3   PHE   97 - HA    ILE   19  16.75 +/- 0.74  12.154% * 19.0666% (0.92  1.00   0.02   0.02) =  22.220%  kept
          QG    GLU-  79 - HA    ILE   19  12.76 +/- 1.94  60.575% *  3.1869% (0.15  1.00   0.02   0.02) =  18.510%  kept
          HB2   PRO   58 - HA    ILE   19  18.45 +/- 0.56   6.675% * 19.0666% (0.92  1.00   0.02   0.02) =  12.203%  kept
          HB2   GLU- 100 - HA    ILE   19  19.25 +/- 0.65   5.038% * 14.1878% (0.69  1.00   0.02   0.02) =   6.853%  kept
          HB2   GLN  116 - HA    ILE   19  23.92 +/- 0.84   1.358% * 16.5389% (0.80  1.00   0.02   0.02) =   2.153%  kept
    Distance limit 3.73 A violated in 20 structures by 7.75 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   2.19 +/- 0.01  99.998% * 99.9363% (0.73  10.0   5.05  25.51) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.42 +/- 0.47   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.74 +/- 1.94   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 = 6.72, residual support = 174.2:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.02  99.497% * 99.8764% (0.98  10.0   6.72 174.22) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.20 +/- 0.15   0.422% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19   9.50 +/- 0.25   0.081% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.81 +/- 0.45 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.94, residual support = 174.2:
      O   HN    ILE   19 - HB    ILE   19   2.32 +/- 0.22  98.851% * 99.6598% (0.65  10.0   5.94 174.22) =  99.998%  kept
          HN    LEU   73 - HB    ILE   19   5.28 +/- 0.30   0.975% *  0.1487% (0.97   1.0   0.02   4.00) =   0.001%
          HN    VAL   42 - HB    ILE   19   6.85 +/- 0.36   0.174% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.70 +/- 0.56   0.000% *  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 = 174.2:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.21  97.997% * 98.1968% (0.28  10.0   4.89 174.22) =  99.995%  kept
          QB    ALA   34 - QG2   ILE   19   6.77 +/- 0.40   0.667% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   39 - QG2   ILE   19   6.88 +/- 0.91   0.762% *  0.2142% (0.61   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   ILE   19   7.88 +/- 0.25   0.258% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.94 +/- 0.60   0.273% *  0.0478% (0.14   1.0   0.02   7.69) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  12.82 +/- 1.22   0.017% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  13.91 +/- 0.65   0.009% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.39 +/- 0.95   0.007% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  13.73 +/- 1.09   0.010% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 174.2:
      O   HG12  ILE   19 - QG2   ILE   19   3.00 +/- 0.17  91.298% * 99.0974% (0.95  10.0  1.00   5.44 174.22) =  99.995%  kept
          HG    LEU   73 - QG2   ILE   19   5.19 +/- 0.89   6.972% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - QG2   ILE   19   6.13 +/- 0.54   1.462% *  0.0393% (0.38   1.0  1.00   0.02   7.69) =   0.001%
        T QB    LEU   98 - QG2   ILE   19  10.36 +/- 0.69   0.061% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19   9.89 +/- 1.26   0.101% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.60 +/- 0.48   0.048% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  14.22 +/- 3.10   0.019% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.07 +/- 0.59   0.014% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  13.95 +/- 2.24   0.016% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.20 +/- 1.32   0.004% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  16.76 +/- 0.86   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.80 +/- 2.01   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 174.2:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  98.082% * 99.2447% (0.80  10.0   4.89 174.22) =  99.999%  kept
          HG3   GLN   30 - QG2   ILE   19   4.24 +/- 0.42   1.803% *  0.0276% (0.22   1.0   0.02  13.88) =   0.001%
          HB2   GLN   17 - QG2   ILE   19   7.15 +/- 0.34   0.071% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   8.38 +/- 0.48   0.028% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.28 +/- 0.32   0.008% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  11.68 +/- 1.44   0.005% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  12.25 +/- 0.84   0.003% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.33 +/- 1.06   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.23 +/- 1.48   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 13.9:
          HG2   GLN   30 - QG2   ILE   19   3.69 +/- 0.62  99.606% * 96.5695% (0.65   2.13  13.88) =  99.997%  kept
          HB3   ASN   28 - QG2   ILE   19  10.34 +/- 0.42   0.279% *  0.5753% (0.41   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   ILE   19  16.89 +/- 2.14   0.043% *  1.3963% (1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  14.94 +/- 1.02   0.038% *  1.2139% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  15.36 +/- 0.90   0.034% *  0.2451% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 174.2:
      O   HA    ILE   19 - QG2   ILE   19   2.60 +/- 0.24  99.960% * 99.7522% (0.92  10.0   5.75 174.22) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19  10.08 +/- 0.36   0.036% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.18 +/- 1.06   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  18.71 +/- 2.34   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.69, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   3.01 +/- 0.20  99.954% * 97.9118% (0.31   3.69  25.51) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19  11.33 +/- 0.70   0.044% *  1.2502% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  18.54 +/- 1.68   0.002% *  0.8380% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 174.1:
          HN    ILE   19 - QG2   ILE   19   3.54 +/- 0.23  92.055% * 98.8284% (0.65   5.76 174.22) =  99.955%  kept
          HN    LEU   73 - QG2   ILE   19   5.60 +/- 0.55   6.206% *  0.5120% (0.97   0.02   4.00) =   0.035%
          HN    VAL   42 - QG2   ILE   19   6.95 +/- 0.52   1.731% *  0.5120% (0.97   0.02   0.02) =   0.010%
          HN    LYS+ 106 - QG2   ILE   19  16.99 +/- 0.62   0.008% *  0.1475% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.531, support = 0.0199, residual support = 0.195:
          QD2   LEU   67 - HG13  ILE   19   9.11 +/- 2.61  24.060% * 39.2581% (0.69   0.02   0.02) =  65.329%  kept
          QD1   LEU   40 - HG13  ILE   19   9.57 +/- 0.74  10.129% * 23.4959% (0.41   0.02   0.02) =  16.461%  kept
          QD1   LEU   40 - HG    LEU   71   7.35 +/- 0.72  46.473% *  3.3680% (0.06   0.02   1.64) =  10.826%  kept
          QD2   LEU   67 - HG    LEU   71   8.91 +/- 1.82  15.760% *  5.6275% (0.10   0.02   0.02) =   6.134%  kept
          QG2   ILE  119 - HG13  ILE   19  15.47 +/- 1.30   0.587% * 15.8904% (0.28   0.02   0.02) =   0.645%  kept
          QD1   ILE  103 - HG13  ILE   19  15.95 +/- 1.04   0.582% *  8.8183% (0.15   0.02   0.02) =   0.355%
          QD1   ILE  103 - HG    LEU   71  13.25 +/- 1.07   1.852% *  1.2641% (0.02   0.02   0.02) =   0.162%
          QG2   ILE  119 - HG    LEU   71  15.50 +/- 1.32   0.556% *  2.2778% (0.04   0.02   0.02) =   0.088%
    Distance limit 2.98 A violated in 20 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.94, residual support = 174.2:
          HN    ILE   19 - HG13  ILE   19   3.26 +/- 0.53  92.257% * 98.6554% (0.65   5.94 174.22) =  99.988%  kept
          HN    LEU   73 - HG13  ILE   19   7.27 +/- 0.59   0.898% *  0.4958% (0.97   0.02   4.00) =   0.005%
          HN    VAL   42 - HG    LEU   71   6.30 +/- 0.87   3.223% *  0.0711% (0.14   0.02   2.37) =   0.003%
          HN    VAL   42 - HG13  ILE   19   8.36 +/- 0.69   0.430% *  0.4958% (0.97   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   71   6.84 +/- 0.90   2.147% *  0.0476% (0.09   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   71   7.82 +/- 1.04   1.038% *  0.0711% (0.14   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.19 +/- 0.79   0.002% *  0.1428% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.27 +/- 1.04   0.004% *  0.0205% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 13.9:
          HE22  GLN   30 - QG2   ILE   19   3.57 +/- 0.74  99.227% * 97.3475% (0.41   2.13  13.88) =  99.992%  kept
          HD22  ASN   69 - QG2   ILE   19  11.43 +/- 1.21   0.250% *  2.2135% (1.00   0.02   0.02) =   0.006%
          QE    PHE   45 - QG2   ILE   19   9.59 +/- 1.22   0.524% *  0.4390% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 13.9:
          HE21  GLN   30 - QG2   ILE   19   2.75 +/- 0.71  98.588% * 96.5700% (1.00   1.50  13.88) =  99.983%  kept
          HD1   TRP   27 - QG2   ILE   19   6.46 +/- 0.68   1.387% *  1.1194% (0.87   0.02   0.02) =   0.016%
          QD    PHE   59 - QG2   ILE   19  12.88 +/- 1.02   0.022% *  1.1194% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  19.84 +/- 2.32   0.002% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.16, residual support = 13.9:
          HE22  GLN   30 - QD1   ILE   19   4.95 +/- 0.95  99.793% * 93.7749% (0.25   2.16  13.88) =  99.995%  kept
          HN    CYS   50 - QD1   ILE   19  18.75 +/- 1.06   0.082% *  2.7867% (0.80   0.02   0.02) =   0.002%
          HN    TRP   49 - QD1   ILE   19  19.17 +/- 1.11   0.069% *  2.2513% (0.65   0.02   0.02) =   0.002%
          HN    VAL   83 - QD1   ILE   19  18.36 +/- 2.09   0.056% *  1.1871% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 7 structures by 0.89 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  17.71 +/- 0.94 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 13.82 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   3.87 +/- 0.02  99.720% * 98.7253% (0.92   3.85  25.51) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  10.77 +/- 0.10   0.216% *  0.5558% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.45 +/- 1.09   0.041% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  16.07 +/- 1.55   0.023% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.831, support = 0.02, residual support = 6.37:
          QE    LYS+  74 - QB    ALA   20   6.46 +/- 0.50  68.701% * 25.4326% (0.90   0.02   8.17) =  77.919%  kept
          HB2   PHE   72 - QB    ALA   20   7.61 +/- 0.37  26.620% * 16.0552% (0.57   0.02   0.02) =  19.060%  kept
          QB    CYS   50 - QB    ALA   20  12.46 +/- 1.25   1.638% * 26.1780% (0.92   0.02   0.02) =   1.913%  kept
          HB3   ASP-  78 - QB    ALA   20  11.49 +/- 0.93   2.605% *  4.9664% (0.18   0.02   0.02) =   0.577%  kept
          HB3   ASN   69 - QB    ALA   20  15.13 +/- 0.49   0.436% * 27.3678% (0.97   0.02   0.02) =   0.532%  kept
    Distance limit 3.57 A violated in 20 structures by 2.49 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.817, support = 1.89, residual support = 3.59:
          HD2   HIS   22 - QB    ALA   20   5.04 +/- 0.49  50.615% * 70.7332% (0.92   2.08   4.77) =  73.158%  kept
          HN    THR   23 - QB    ALA   20   5.11 +/- 0.21  48.612% * 27.0148% (0.53   1.39   0.39) =  26.835%  kept
          QE    PHE   95 - QB    ALA   20  11.40 +/- 0.91   0.450% *  0.3588% (0.49   0.02   0.02) =   0.003%
          HN    LEU   67 - QB    ALA   20  13.10 +/- 0.75   0.179% *  0.6611% (0.90   0.02   0.02) =   0.002%
          HD1   TRP   49 - QB    ALA   20  15.65 +/- 1.69   0.079% *  0.7306% (0.99   0.02   0.02) =   0.001%
          HD21  ASN   35 - QB    ALA   20  17.36 +/- 0.97   0.033% *  0.3878% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  17.25 +/- 0.51   0.032% *  0.1137% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.62, residual support = 14.9:
          HN    CYS   21 - QB    ALA   20   3.59 +/- 0.02  99.904% * 99.0659% (0.95   3.62  14.92) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.42 +/- 0.34   0.059% *  0.3505% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  16.69 +/- 2.24   0.016% *  0.1784% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.42 +/- 0.43   0.016% *  0.1012% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  19.28 +/- 0.46   0.004% *  0.3040% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.82 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   2.02 +/- 0.05  99.996% * 99.6086% (0.31  10.0   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.93 +/- 0.48   0.004% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.17 +/- 1.63   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.537, support = 0.0198, residual support = 0.0198:
          HB    VAL   41 - HB2   CYS   21   9.57 +/- 0.70  41.563% *  9.0526% (0.65   0.02   0.02) =  56.071%  kept
          QB    LYS+  33 - HB2   CYS   21   9.48 +/- 0.61  43.703% *  4.7734% (0.34   0.02   0.02) =  31.088%  kept
          HG12  ILE  103 - HB2   CYS   21  15.69 +/- 1.16   2.205% * 11.2053% (0.80   0.02   0.02) =   3.683%  kept
          QB    LYS+  66 - HB2   CYS   21  16.54 +/- 0.79   1.552% *  6.2738% (0.45   0.02   0.02) =   1.451%  kept
          QB    LYS+  81 - HB2   CYS   21  16.30 +/- 2.93   3.028% *  3.1155% (0.22   0.02   0.02) =   1.406%  kept
          QB    LYS+ 106 - HB2   CYS   21  14.78 +/- 0.87   3.122% *  2.7693% (0.20   0.02   0.02) =   1.288%  kept
          HB    ILE  103 - HB2   CYS   21  18.15 +/- 0.97   0.881% *  7.3624% (0.53   0.02   0.02) =   0.967%  kept
          HB3   PRO   52 - HB2   CYS   21  20.92 +/- 1.76   0.428% * 13.7167% (0.98   0.02   0.02) =   0.875%  kept
          HG3   PRO   68 - HB2   CYS   21  18.91 +/- 1.17   0.686% *  7.9226% (0.57   0.02   0.02) =   0.811%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.09 +/- 1.02   0.638% *  6.2738% (0.45   0.02   0.02) =   0.597%  kept
          HG    LEU  123 - HB2   CYS   21  22.64 +/- 2.03   0.274% * 13.7167% (0.98   0.02   0.02) =   0.560%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.75 +/- 1.33   0.438% *  6.8115% (0.49   0.02   0.02) =   0.444%
          HG2   PRO   93 - HB2   CYS   21  18.37 +/- 0.86   0.864% *  3.1155% (0.22   0.02   0.02) =   0.401%
          HB3   GLN   90 - HB2   CYS   21  19.74 +/- 1.46   0.617% *  3.8908% (0.28   0.02   0.02) =   0.358%
    Distance limit 3.66 A violated in 20 structures by 4.54 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 1.5, residual support = 9.26:
          QD1   LEU   73 - HB2   CYS   21   3.28 +/- 0.56  94.239% * 94.3053% (0.80   1.50   9.26) =  99.965%  kept
          QG2   VAL   41 - HB2   CYS   21   6.70 +/- 0.65   2.051% *  0.5894% (0.38   0.02   0.02) =   0.014%
          QD2   LEU   80 - HB2   CYS   21  10.20 +/- 4.24   1.799% *  0.6456% (0.41   0.02   0.02) =   0.013%
          QD1   LEU   80 - HB2   CYS   21  11.29 +/- 4.77   1.601% *  0.3496% (0.22   0.02   0.02) =   0.006%
          QD2   LEU   98 - HB2   CYS   21   9.35 +/- 0.95   0.228% *  0.3496% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  12.36 +/- 1.07   0.042% *  1.2574% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  13.44 +/- 1.08   0.024% *  1.4496% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  17.18 +/- 1.25   0.006% *  0.7040% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  15.79 +/- 1.03   0.010% *  0.3496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.5, residual support = 28.4:
      O T HA    CYS   21 - HB2   CYS   21   2.89 +/- 0.23  99.995% * 99.6850% (0.92  10.0 10.00   2.50  28.37) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.11 +/- 1.12   0.002% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.97 +/- 1.76   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  20.52 +/- 0.96   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  21.48 +/- 1.18   0.001% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.651, support = 2.39, residual support = 4.98:
          HN    THR   23 - HB2   CYS   21   4.33 +/- 0.41  89.511% * 19.5248% (0.53   1.69   4.64) =  68.415%  kept
          HD2   HIS   22 - HB2   CYS   21   6.49 +/- 0.46  10.195% * 79.1329% (0.92   3.90   5.70) =  31.583%  kept
          QE    PHE   95 - HB2   CYS   21  12.48 +/- 1.03   0.179% *  0.2139% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  15.97 +/- 0.95   0.043% *  0.3940% (0.90   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  15.32 +/- 1.14   0.052% *  0.2312% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  19.95 +/- 1.64   0.011% *  0.4355% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  21.16 +/- 0.82   0.008% *  0.0678% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.36, residual support = 28.4:
      O   HN    CYS   21 - HB2   CYS   21   2.57 +/- 0.37  99.946% * 99.8294% (0.95  10.0   3.36  28.37) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.33 +/- 0.57   0.046% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  14.55 +/- 0.63   0.005% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  18.14 +/- 2.99   0.002% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.33 +/- 0.92   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.346, support = 0.0196, residual support = 0.0196:
          HB    VAL   41 - HB3   CYS   21   9.89 +/- 0.74  33.908% *  9.0526% (0.44   0.02   0.02) =  48.290%  kept
          QB    LYS+  33 - HB3   CYS   21   9.09 +/- 0.53  54.152% *  4.7734% (0.23   0.02   0.02) =  40.665%  kept
          HG12  ILE  103 - HB3   CYS   21  16.00 +/- 1.15   1.953% * 11.2053% (0.55   0.02   0.02) =   3.443%  kept
          QB    LYS+  81 - HB3   CYS   21  16.43 +/- 3.06   2.799% *  3.1155% (0.15   0.02   0.02) =   1.372%  kept
          QB    LYS+  66 - HB3   CYS   21  17.52 +/- 0.84   1.119% *  6.2738% (0.31   0.02   0.02) =   1.104%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.42 +/- 0.72   2.283% *  2.7693% (0.14   0.02   0.02) =   0.995%  kept
          HB    ILE  103 - HB3   CYS   21  18.48 +/- 0.96   0.786% *  7.3624% (0.36   0.02   0.02) =   0.910%  kept
          HB3   PRO   52 - HB3   CYS   21  22.00 +/- 1.71   0.317% * 13.7167% (0.67   0.02   0.02) =   0.684%  kept
          HG3   PRO   68 - HB3   CYS   21  19.76 +/- 0.97   0.526% *  7.9226% (0.39   0.02   0.02) =   0.655%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.92 +/- 0.76   0.491% *  6.2738% (0.31   0.02   0.02) =   0.484%
          HG    LEU  123 - HB3   CYS   21  23.71 +/- 1.99   0.195% * 13.7167% (0.67   0.02   0.02) =   0.421%
          HG2   ARG+  54 - HB3   CYS   21  21.90 +/- 1.60   0.333% *  6.8115% (0.33   0.02   0.02) =   0.357%
          HB3   GLN   90 - HB3   CYS   21  20.33 +/- 1.51   0.507% *  3.8908% (0.19   0.02   0.02) =   0.311%
          HG2   PRO   93 - HB3   CYS   21  19.40 +/- 1.02   0.632% *  3.1155% (0.15   0.02   0.02) =   0.310%
    Distance limit 3.76 A violated in 20 structures by 4.44 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   2.27 +/- 0.45  99.635% * 95.4718% (0.60   2.00   2.74) =  99.996%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.96 +/- 0.69   0.359% *  1.0982% (0.69   0.02   9.41) =   0.004%
          HB3   LEU   40 - HB3   CYS   21  14.38 +/- 1.04   0.003% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  17.88 +/- 1.88   0.002% *  0.8813% (0.55   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.35 +/- 1.07   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  22.93 +/- 1.94   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.06 +/- 1.55   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.87 +/- 0.80   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.55, support = 1.5, residual support = 9.26:
          QD1   LEU   73 - HB3   CYS   21   3.64 +/- 0.41  93.543% * 94.3053% (0.55   1.50   9.26) =  99.961%  kept
          QG2   VAL   41 - HB3   CYS   21   6.87 +/- 0.55   2.530% *  0.5894% (0.26   0.02   0.02) =   0.017%
          QD2   LEU   80 - HB3   CYS   21  10.32 +/- 4.33   1.840% *  0.6456% (0.28   0.02   0.02) =   0.013%
          QD1   LEU   80 - HB3   CYS   21  11.36 +/- 4.85   1.649% *  0.3496% (0.15   0.02   0.02) =   0.007%
          QD2   LEU   98 - HB3   CYS   21   9.58 +/- 0.87   0.347% *  0.3496% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.33 +/- 0.89   0.043% *  1.2574% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.37 +/- 0.97   0.027% *  1.4496% (0.63   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.15 +/- 1.06   0.008% *  0.7040% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.27 +/- 0.98   0.014% *  0.3496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.38, residual support = 28.4:
      O   HN    CYS   21 - HB3   CYS   21   3.46 +/- 0.39  99.716% * 99.8294% (0.65  10.0   3.38  28.37) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21   9.72 +/- 0.43   0.251% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  14.32 +/- 0.36   0.024% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  18.48 +/- 3.20   0.008% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.40 +/- 0.72   0.002% *  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   2.66 +/- 0.43  99.953% * 88.5639% (0.52   0.75   1.50) =  99.999%  kept
          HD1   TRP   87 - HB3   CYS   21  16.76 +/- 4.38   0.016% *  2.8547% (0.63   0.02   0.02) =   0.001%
          HN    THR   39 - HB3   CYS   21  14.34 +/- 0.52   0.007% *  2.9253% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  13.93 +/- 0.42   0.007% *  1.7508% (0.39   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  16.78 +/- 0.85   0.004% *  1.0549% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  18.19 +/- 1.85   0.003% *  1.2713% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  16.81 +/- 1.40   0.003% *  1.1606% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  19.88 +/- 6.08   0.007% *  0.4185% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.473, support = 2.9, residual support = 5.08:
          HN    THR   23 - HB3   CYS   21   4.42 +/- 0.12  81.758% * 23.6946% (0.36   2.18   4.64) =  58.889%  kept
          HD2   HIS   22 - HB3   CYS   21   5.84 +/- 0.59  18.021% * 75.0411% (0.63   3.93   5.70) =  41.109%  kept
          QE    PHE   95 - HB3   CYS   21  13.56 +/- 0.96   0.111% *  0.2014% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  14.76 +/- 1.25   0.070% *  0.2177% (0.36   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.01 +/- 0.90   0.027% *  0.3711% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  20.71 +/- 1.38   0.008% *  0.4102% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  22.23 +/- 0.92   0.005% *  0.0639% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.59, residual support = 28.4:
      O T HA    CYS   21 - HB3   CYS   21   2.59 +/- 0.16  99.998% * 99.6850% (0.63  10.0 10.00   2.59  28.37) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.25 +/- 1.14   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.95 +/- 2.00   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  21.41 +/- 1.06   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.41 +/- 1.02   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 = 0.729, support = 2.54, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.34 +/- 0.54  82.136% * 86.9668% (0.74  10.0   2.46  34.49) =  96.913%  kept
          HN    THR   23 - HB2   HIS   22   4.48 +/- 0.03  17.852% * 12.7454% (0.42   1.0   5.14  21.18) =   3.087%  kept
          QE    PHE   95 - HB2   HIS   22  17.29 +/- 1.08   0.005% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   HIS   22  20.65 +/- 1.97   0.002% *  0.0934% (0.79   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  19.03 +/- 1.23   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.63 +/- 0.96   0.001% *  0.0845% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.89 +/- 0.73   0.001% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.935, support = 3.11, residual support = 34.3:
      O   HD2   HIS   22 - HB3   HIS   22   3.46 +/- 0.52  79.137% * 94.7264% (0.95  10.0   3.07  34.49) =  98.619%  kept
          HN    THR   23 - HB3   HIS   22   4.46 +/- 0.04  20.849% *  5.0334% (0.18   1.0   5.74  21.18) =   1.381%  kept
          HD21  ASN   35 - HB3   HIS   22  19.21 +/- 1.66   0.003% *  0.0924% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  20.56 +/- 1.81   0.003% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.26 +/- 1.08   0.007% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.72 +/- 0.67   0.002% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 3.3, residual support = 21.2:
          QG2   THR   23 - HB3   HIS   22   3.57 +/- 0.46  99.908% * 95.9562% (0.34   3.30  21.18) =  99.998%  kept
          QG2   THR   77 - HB3   HIS   22  12.54 +/- 1.02   0.075% *  1.6907% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  18.09 +/- 2.81   0.014% *  1.2387% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  23.00 +/- 0.96   0.002% *  0.6402% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  23.76 +/- 1.14   0.002% *  0.4743% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.6:
          HN    ALA   47 - HB    THR   46   3.49 +/- 0.61  96.815% * 98.4521% (0.38   3.21  12.63) =  99.948%  kept
          QD    PHE   95 - HB    THR   46   7.60 +/- 1.35   3.185% *  1.5479% (0.95   0.02   0.02) =   0.052%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.29 +/- 0.46  98.943% * 99.6646% (0.87  10.0   3.25  34.50) =  99.999%  kept
          HN    MET   92 - HB    THR   46   8.88 +/- 1.56   0.812% *  0.0789% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB    THR   46   9.38 +/- 1.32   0.216% *  0.1126% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  14.43 +/- 1.70   0.029% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.21 +/- 1.77   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.493, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  12.57 +/- 1.00  32.098% * 12.9434% (0.64  1.00   0.02   0.02) =  48.575%  kept
          HB3   LEU   80 - HB2   HIS   22  12.81 +/- 2.26  35.672% *  4.0306% (0.20  1.00   0.02   0.02) =  16.811%  kept
          HB2   LEU   31 - HB2   HIS   22  13.40 +/- 0.97  23.615% *  6.0667% (0.30  1.00   0.02   0.02) =  16.750%  kept
          QB    ALA   88 - HB2   HIS   22  18.19 +/- 2.85   4.813% * 16.1643% (0.80  1.00   0.02   0.02) =   9.095%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.25 +/- 0.67   1.813% * 28.3087% (0.14 10.00   0.02   0.02) =   6.001%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.81 +/- 0.96   0.905% * 13.5016% (0.67  1.00   0.02   0.02) =   1.428%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.61 +/- 1.48   0.800% * 11.7377% (0.58  1.00   0.02   0.02) =   1.099%  kept
          HG2   LYS+ 111 - HB2   HIS   22  28.60 +/- 2.00   0.284% *  7.2470% (0.36  1.00   0.02   0.02) =   0.241%
    Distance limit 3.91 A violated in 20 structures by 6.34 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.9:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.86  14.92) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.75 +/- 0.43   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.91 +/- 2.63   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.25 +/- 0.48   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  21.17 +/- 0.53   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   9.01 +/- 0.54 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.571, support = 0.0199, residual support = 0.0199:
          QG    GLU-  79 - HA    HIS   22   6.45 +/- 1.91  92.418% * 18.5628% (0.57   0.02   0.02) =  93.106%  kept
          HB3   PHE   45 - HA    HIS   22  12.72 +/- 1.16   5.773% * 13.7211% (0.42   0.02   0.02) =   4.299%  kept
          QG    GLN   32 - HA    HIS   22  14.87 +/- 1.11   1.435% * 27.4474% (0.85   0.02   0.02) =   2.137%  kept
          HB    VAL  107 - HA    HIS   22  20.78 +/- 0.92   0.257% * 26.5475% (0.82   0.02   0.02) =   0.371%
          QE    LYS+ 112 - HA    HIS   22  23.57 +/- 1.78   0.117% * 13.7211% (0.42   0.02   0.02) =   0.087%
    Distance limit 3.28 A violated in 20 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.284, support = 0.0199, residual support = 0.0199:
        T HB2   LEU   73 - HA    HIS   22   8.16 +/- 0.94  64.096% * 28.4146% (0.26 10.00   0.02   0.02) =  92.369%  kept
          HB    VAL   83 - HA    HIS   22  12.35 +/- 2.61  11.934% *  8.1833% (0.76  1.00   0.02   0.02) =   4.953%  kept
          HD2   LYS+  74 - HA    HIS   22   9.87 +/- 0.93  21.742% *  1.7898% (0.17  1.00   0.02   0.02) =   1.974%  kept
          QD    LYS+  65 - HA    HIS   22  18.31 +/- 1.56   0.567% *  7.4210% (0.69  1.00   0.02   0.02) =   0.213%
          HG3   PRO   93 - HA    HIS   22  19.65 +/- 1.35   0.339% *  8.5362% (0.79  1.00   0.02   0.02) =   0.147%
          HB3   MET   92 - HA    HIS   22  19.31 +/- 1.52   0.447% *  4.2014% (0.39  1.00   0.02   0.02) =   0.095%
          QD    LYS+  38 - HA    HIS   22  22.09 +/- 0.73   0.185% *  9.4340% (0.87  1.00   0.02   0.02) =   0.089%
          QD    LYS+ 102 - HA    HIS   22  23.21 +/- 1.15   0.144% *  9.8627% (0.91  1.00   0.02   0.02) =   0.072%
          QD    LYS+ 106 - HA    HIS   22  20.55 +/- 1.51   0.376% *  1.5768% (0.15  1.00   0.02   0.02) =   0.030%
          HB2   LYS+ 121 - HA    HIS   22  26.15 +/- 1.15   0.069% *  7.0200% (0.65  1.00   0.02   0.02) =   0.024%
          HB2   LEU  123 - HA    HIS   22  28.10 +/- 1.80   0.046% *  8.1833% (0.76  1.00   0.02   0.02) =   0.019%
          HD2   LYS+ 111 - HA    HIS   22  28.09 +/- 2.46   0.056% *  5.3768% (0.50  1.00   0.02   0.02) =   0.015%
    Distance limit 3.44 A violated in 20 structures by 4.13 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.386, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.39 +/- 0.11  97.217% * 67.5049% (0.39   0.02   0.02) =  98.641%  kept
          HN    LEU   40 - HA    HIS   22  18.88 +/- 0.79   2.783% * 32.4951% (0.19   0.02   0.02) =   1.359%  kept
    Distance limit 3.57 A violated in 20 structures by 6.77 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 = 5.22, residual support = 24.4:
      O   HN    VAL   24 - HA    THR   23   2.56 +/- 0.07 100.000% *100.0000% (0.64  10.0   5.22  24.38) = 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 = 5.25, residual support = 24.4:
          HN    VAL   24 - HB    THR   23   3.35 +/- 0.65 100.000% *100.0000% (0.49   5.25  24.38) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.58, residual support = 18.8:
          HN    THR   23 - QG2   THR   23   3.18 +/- 0.62  80.350% * 62.0824% (0.73   4.61  18.76) =  98.484%  kept
          HD2   HIS   22 - QG2   THR   23   6.04 +/- 0.31   2.108% * 36.0543% (0.76   2.54  21.18) =   1.501%  kept
          HD1   TRP   49 - QB    ALA   91   6.82 +/- 2.50  12.902% *  0.0350% (0.09   0.02   0.02) =   0.009%
          HE3   TRP   27 - QG2   THR   23   6.34 +/- 0.81   3.239% *  0.0826% (0.22   0.02   0.51) =   0.005%
          HD21  ASN   35 - QG2   THR   39   9.04 +/- 1.39   0.548% *  0.0282% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   39   9.76 +/- 0.94   0.157% *  0.0818% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   8.69 +/- 1.07   0.267% *  0.0268% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  13.12 +/- 1.16   0.020% *  0.2547% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  13.33 +/- 1.56   0.055% *  0.0567% (0.15   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.15 +/- 1.69   0.008% *  0.3325% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.74 +/- 1.67   0.103% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.08 +/- 1.70   0.011% *  0.1265% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.59 +/- 1.23   0.019% *  0.0631% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.11 +/- 1.98   0.100% *  0.0108% (0.03   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  12.88 +/- 1.65   0.038% *  0.0283% (0.08   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  14.03 +/- 1.17   0.017% *  0.0599% (0.16   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  18.66 +/- 0.86   0.003% *  0.3675% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  12.37 +/- 1.97   0.043% *  0.0087% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  19.44 +/- 1.05   0.002% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  17.49 +/- 1.83   0.005% *  0.0298% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.59 +/- 0.96   0.002% *  0.0386% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.80 +/- 1.29   0.001% *  0.0740% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.42 +/- 0.74   0.002% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.52 +/- 2.11   0.001% *  0.0133% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.20 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   2.48 +/- 0.74  99.972% * 91.4881% (0.34   1.83  10.82) =  99.999%  kept
          HG3   MET   96 - HA    VAL   83  19.30 +/- 4.25   0.026% *  2.9251% (1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    VAL   83  26.54 +/- 2.19   0.001% *  2.2354% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    VAL   83  19.97 +/- 3.93   0.001% *  0.6512% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  30.35 +/- 4.01   0.000% *  2.7002% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   3.11 +/- 0.55  99.862% * 99.6258% (0.98 10.00   2.25  10.82) = 100.000%  kept
          HB2   ASP-  78 - HA    VAL   83  11.20 +/- 1.13   0.121% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    VAL   83  16.83 +/- 3.87   0.014% *  0.0912% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  22.71 +/- 3.42   0.001% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  25.31 +/- 2.04   0.001% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  26.74 +/- 4.33   0.001% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.1:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.01  99.991% * 99.7575% (0.57  10.0   4.70  87.12) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  15.79 +/- 1.31   0.004% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  14.64 +/- 1.41   0.006% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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   3.07 +/- 0.17  99.990% * 97.0740% (0.95   2.25  10.82) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  19.05 +/- 3.62   0.003% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  17.87 +/- 3.72   0.005% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  26.62 +/- 4.37   0.002% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  25.71 +/- 3.82   0.001% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  30.05 +/- 3.20   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 3.94, residual support = 11.8:
          HD1   TRP   87 - HA    VAL   83   4.89 +/- 0.87  86.766% * 85.4421% (0.73   3.98  11.84) =  98.576%  kept
          HE3   TRP   87 - HA    VAL   83   7.84 +/- 1.01   8.407% * 12.5106% (0.28   1.52  11.84) =   1.399%  kept
          HN    ALA   91 - HA    VAL   83  10.70 +/- 1.58   4.519% *  0.3825% (0.65   0.02   0.02) =   0.023%
          HN    TRP   27 - HA    VAL   83  14.96 +/- 3.36   0.276% *  0.5594% (0.95   0.02   0.02) =   0.002%
          HN    ALA   61 - HA    VAL   83  22.51 +/- 1.82   0.016% *  0.3348% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  28.04 +/- 3.17   0.004% *  0.4519% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  26.25 +/- 3.71   0.008% *  0.1170% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  27.70 +/- 3.87   0.005% *  0.2017% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 11 structures by 1.07 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.693, support = 1.64, residual support = 3.18:
          QD1   LEU   73 - HA    VAL   24   3.93 +/- 1.12  53.614% * 59.0669% (0.80   1.64   2.67) =  73.151%  kept
          QD2   LEU   80 - HA    VAL   24   8.70 +/- 5.83  34.346% * 31.7302% (0.41   1.72   4.58) =  25.174%  kept
          QD1   LEU   80 - HA    VAL   24   9.81 +/- 5.90  11.090% *  6.5121% (0.22   0.65   4.58) =   1.668%  kept
          QG2   VAL   41 - HA    VAL   24   7.48 +/- 1.08   0.639% *  0.3375% (0.38   0.02   0.02) =   0.005%
          QD2   LEU   98 - HA    VAL   24   8.55 +/- 1.37   0.274% *  0.2002% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    VAL   24  13.56 +/- 1.07   0.018% *  0.7200% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  14.92 +/- 1.20   0.009% *  0.8300% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  17.92 +/- 1.22   0.003% *  0.4031% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  16.19 +/- 1.42   0.006% *  0.2002% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.64, residual support = 62.3:
      O T HB    VAL   24 - HA    VAL   24   2.59 +/- 0.26  99.975% * 98.9275% (1.00  10.0 10.00   3.64  62.34) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.92 +/- 0.52   0.022% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  21.38 +/- 1.39   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  17.97 +/- 1.60   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.24 +/- 2.31   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  22.82 +/- 0.71   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 = 3.72, residual support = 26.8:
        T HB3   TRP   27 - HA    VAL   24   3.10 +/- 0.13  99.966% * 99.7179% (1.00 10.00   3.72  26.78) = 100.000%  kept
          QE    LYS+ 106 - HA    VAL   24  15.66 +/- 2.25   0.012% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    VAL   24  15.49 +/- 1.20   0.008% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  15.00 +/- 0.73   0.008% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  16.82 +/- 1.27   0.005% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.39 +/- 0.81   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 62.3:
      O   HN    VAL   24 - HA    VAL   24   2.75 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.30  62.34) = 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 = 0.889, support = 5.46, residual support = 30.0:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.02  60.499% * 87.0944% (0.92  10.0   5.49  31.68) =  91.322%  kept
          HN    ASN   28 - HA    VAL   24   3.85 +/- 0.19  39.066% * 12.8163% (0.53   1.0   5.16  12.57) =   8.678%  kept
          HN    ASP-  44 - HA    VAL   24   8.27 +/- 0.60   0.434% *  0.0892% (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 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.4, residual support = 26.8:
          HN    TRP   27 - HA    VAL   24   2.98 +/- 0.07  99.897% * 95.2086% (0.45   3.40  26.78) =  99.999%  kept
          HD1   TRP   87 - HA    VAL   24  13.60 +/- 4.27   0.080% *  1.2380% (0.99   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   24  15.61 +/- 0.35   0.005% *  1.0834% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  16.12 +/- 1.09   0.004% *  1.2243% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  16.14 +/- 1.93   0.005% *  0.8580% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.55 +/- 2.02   0.007% *  0.2187% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  17.80 +/- 0.67   0.002% *  0.1690% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 3.15, residual support = 62.3:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.984% * 98.9402% (0.98  10.0 10.00   3.15  62.34) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.44 +/- 0.52   0.004% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.22 +/- 0.22   0.008% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.34 +/- 1.17   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  15.81 +/- 1.53   0.001% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.23 +/- 1.03   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.88 +/- 1.67   0.001% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.53 +/- 1.38   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.15 +/- 1.70   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.29 +/- 0.74   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.86 +/- 2.25   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  25.02 +/- 1.83   0.000% *  0.0597% (0.59   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 = 2.93, residual support = 62.3:
      O   QG2   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.996% * 99.6470% (1.00  10.0   2.93  62.34) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.97 +/- 0.80   0.002% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  18.99 +/- 2.12   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  15.81 +/- 1.53   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  19.37 +/- 1.23   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.23 +/- 1.03   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  24.26 +/- 2.33   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.60 +/- 1.38   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.674, support = 1.63, residual support = 3.96:
          QD2   LEU   80 - HB    VAL   24   7.81 +/- 6.46  48.634% * 61.7200% (0.80   1.62   4.58) =  67.627%  kept
          QD1   LEU   73 - HB    VAL   24   5.60 +/- 1.61  43.835% * 32.6596% (0.41   1.67   2.67) =  32.254%  kept
          QG1   VAL   83 - HB    VAL   24   8.43 +/- 3.85   5.860% *  0.8262% (0.87   0.02   0.02) =   0.109%
          QG2   ILE   89 - HB    VAL   24   9.88 +/- 2.43   1.362% *  0.2375% (0.25   0.02   0.02) =   0.007%
          QD1   LEU  104 - HB2   PRO   68  12.51 +/- 1.49   0.084% *  0.5437% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  11.75 +/- 0.64   0.091% *  0.2316% (0.24   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  14.25 +/- 1.59   0.052% *  0.3916% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  17.04 +/- 2.00   0.019% *  0.9192% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.82 +/- 1.12   0.017% *  0.4306% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  14.08 +/- 0.55   0.032% *  0.2316% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  18.19 +/- 1.68   0.010% *  0.7279% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  24.56 +/- 1.42   0.001% *  0.4887% (0.51   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  23.14 +/- 2.48   0.001% *  0.4512% (0.47   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  24.07 +/- 1.39   0.002% *  0.1405% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.66, residual support = 62.1:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.26  91.192% * 89.0301% (0.90  10.0 10.00   3.64  62.34) =  98.897%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.92 +/- 0.12   8.802% * 10.2842% (0.10  10.0  1.00   5.39  36.49) =   1.103%  kept
          HA    LYS+  38 - HB2   PRO   68  14.46 +/- 1.42   0.004% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  21.38 +/- 1.39   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  18.86 +/- 1.31   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  22.53 +/- 1.59   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 = 3.15, residual support = 62.3:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  99.992% * 98.6521% (0.92  10.0 10.00   3.15  62.34) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24  10.68 +/- 0.67   0.007% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  20.34 +/- 1.17   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  16.88 +/- 1.37   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  16.53 +/- 1.81   0.001% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.14 +/- 1.15   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.07 +/- 1.43   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.71 +/- 2.20   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.263, support = 6.16, residual support = 34.1:
      O   HN    ASN   69 - HB2   PRO   68   2.91 +/- 0.51  77.018% * 46.4599% (0.20  10.0   6.26  34.80) =  82.118%  kept
          HN    GLU-  25 - HB    VAL   24   3.74 +/- 0.50  20.963% * 35.6582% (0.53   1.0   5.89  31.68) =  17.155%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.18   1.821% * 17.3984% (0.92   1.0   1.64  12.57) =   0.727%  kept
          HN    ASP-  44 - HB    VAL   24   9.12 +/- 1.20   0.194% *  0.1304% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB2   PRO   68  16.79 +/- 0.84   0.003% *  0.0771% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.38 +/- 1.08   0.001% *  0.1257% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  21.79 +/- 1.72   0.001% *  0.0785% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  24.14 +/- 1.28   0.000% *  0.0717% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.33, residual support = 62.3:
      O   HN    VAL   24 - HB    VAL   24   2.39 +/- 0.13 100.000% * 99.9409% (0.38  10.0   4.33  62.34) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.26 +/- 1.48   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.05, residual support = 62.3:
          HN    VAL   24 - QG1   VAL   24   2.14 +/- 0.28 100.000% *100.0000% (0.73   4.05  62.34) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.03, residual support = 127.3:
      O   HN    GLU-  25 - HB2   GLU-  25   3.05 +/- 0.29  96.832% * 99.5455% (0.41  10.0   6.03 127.36) =  99.992%  kept
          HN    ASN   28 - HB2   GLU-  25   5.50 +/- 0.11   3.154% *  0.2373% (0.98   1.0   0.02   2.77) =   0.008%
          HN    ASP-  44 - HB2   GLU-  25  13.66 +/- 0.77   0.013% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  23.59 +/- 0.74   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 = 5.78, residual support = 127.4:
      O   HN    GLU-  25 - HB3   GLU-  25   2.25 +/- 0.52  98.881% * 99.5455% (0.41  10.0   5.78 127.36) =  99.997%  kept
          HN    ASN   28 - HB3   GLU-  25   5.74 +/- 0.13   1.114% *  0.2373% (0.98   1.0   0.02   2.77) =   0.003%
          HN    ASP-  44 - HB3   GLU-  25  13.40 +/- 0.88   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.09 +/- 0.86   0.000% *  0.1086% (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 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.27, residual support = 29.6:
          HN    THR   26 - HB3   GLU-  25   3.24 +/- 0.14  99.996% * 98.7482% (0.34   5.27  29.63) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  17.82 +/- 0.83   0.004% *  0.8395% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  29.11 +/- 1.57   0.000% *  0.4123% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 2.0, residual support = 2.0:
          HN    SER   85 - HA    SER   82   3.46 +/- 0.13  98.445% * 88.7687% (0.26   2.00   2.00) =  99.985%  kept
          HN    GLN   32 - HA    GLU-  25   9.80 +/- 0.45   0.205% *  3.4222% (1.00   0.02   0.02) =   0.008%
          HN    LEU   80 - HA    SER   82   7.37 +/- 0.58   1.231% *  0.3422% (0.10   0.02   0.32) =   0.005%
          HN    LEU   80 - HA    GLU-  25  13.68 +/- 3.14   0.056% *  1.0563% (0.31   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.74 +/- 0.14   0.040% *  1.4069% (0.41   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  16.49 +/- 3.43   0.016% *  2.7403% (0.80   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  24.62 +/- 4.72   0.001% *  1.1086% (0.32   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  23.40 +/- 1.04   0.001% *  0.5280% (0.15   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.52 +/- 1.28   0.003% *  0.1710% (0.05   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  26.70 +/- 4.27   0.001% *  0.4558% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.442, support = 5.63, residual support = 120.5:
      O   HN    GLU-  25 - HA    GLU-  25   2.70 +/- 0.01  85.935% * 73.5423% (0.41  10.0   5.78 127.36) =  94.506%  kept
          HN    ASN   28 - HA    GLU-  25   3.66 +/- 0.07  14.040% * 26.1647% (0.98   1.0   2.98   2.77) =   5.494%  kept
          HN    ASP-  44 - HA    GLU-  25  13.00 +/- 0.55   0.007% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  14.08 +/- 4.02   0.013% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  18.02 +/- 4.51   0.003% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  18.62 +/- 2.83   0.002% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.10 +/- 0.87   0.000% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  32.76 +/- 2.65   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 = 0.33, support = 3.26, residual support = 5.86:
          HN    ALA   84 - HA    SER   82   4.14 +/- 0.15  64.603% * 48.7922% (0.20   4.22   7.34) =  67.479%  kept
          HD21  ASN   28 - HA    GLU-  25   4.63 +/- 0.11  33.513% * 45.3069% (0.61   1.27   2.77) =  32.504%  kept
          HZ2   TRP   87 - HA    GLU-  25  14.48 +/- 6.12   1.246% *  0.4842% (0.41   0.02   0.02) =   0.013%
          HZ2   TRP   87 - HA    SER   82   9.88 +/- 0.97   0.428% *  0.1569% (0.13   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    GLU-  25  15.15 +/- 3.18   0.054% *  0.7144% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  12.80 +/- 1.66   0.109% *  0.2622% (0.22   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  18.20 +/- 5.18   0.033% *  0.2314% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    GLU-  25  22.90 +/- 0.66   0.002% *  1.1675% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  24.73 +/- 0.55   0.001% *  1.1142% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.02 +/- 1.60   0.003% *  0.3609% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  25.45 +/- 1.38   0.001% *  0.7144% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.41 +/- 3.66   0.003% *  0.2314% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  27.15 +/- 2.03   0.001% *  0.3782% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  27.81 +/- 5.26   0.001% *  0.0849% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.985, support = 0.75, residual support = 2.75:
          HB2   ASN   28 - HA    GLU-  25   3.68 +/- 0.32  96.007% * 72.2604% (0.99   0.75   2.77) =  99.142%  kept
          HB2   ASP-  86 - HA    SER   82   6.67 +/- 0.66   3.425% * 17.3744% (0.24   0.76   0.02) =   0.850%  kept
          QE    LYS+  33 - HA    GLU-  25  12.27 +/- 1.60   0.104% *  1.9398% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  14.72 +/- 4.07   0.129% *  1.4117% (0.73   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HA    SER   82  11.07 +/- 0.59   0.148% *  0.3820% (0.20   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    GLU-  25  15.08 +/- 1.18   0.024% *  0.7297% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  14.06 +/- 1.28   0.035% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.71 +/- 0.66   0.102% *  0.1246% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  17.46 +/- 1.92   0.010% *  1.1792% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  18.96 +/- 4.76   0.010% *  0.6242% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.53 +/- 1.94   0.002% *  1.7947% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  24.64 +/- 3.48   0.001% *  0.6284% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  22.63 +/- 0.95   0.002% *  0.2631% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  27.10 +/- 2.28   0.001% *  0.5814% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  29.42 +/- 5.06   0.001% *  0.2364% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  33.66 +/- 2.89   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.295, support = 0.0198, residual support = 5.94:
          QB    ALA   84 - HA    SER   82   4.53 +/- 0.17  69.902% *  2.6264% (0.32   0.02   7.34) =  80.236%  kept
          HB3   LEU   80 - HA    SER   82   5.48 +/- 0.64  27.155% *  1.2898% (0.16   0.02   0.32) =  15.307%  kept
          HB2   LEU   31 - HA    GLU-  25   8.91 +/- 0.17   1.198% *  2.7903% (0.34   0.02   0.02) =   1.461%  kept
          HB3   LEU   73 - HA    GLU-  25  10.03 +/- 0.73   0.653% *  3.3630% (0.41   0.02   0.02) =   0.960%  kept
          HB3   LEU   80 - HA    GLU-  25  13.23 +/- 4.35   0.481% *  3.9817% (0.49   0.02   0.02) =   0.837%  kept
          QB    ALA   84 - HA    GLU-  25  13.97 +/- 2.41   0.128% *  8.1077% (0.99   0.02   0.02) =   0.454%
          HG    LEU   98 - HA    GLU-  25  14.84 +/- 1.59   0.074% *  7.7381% (0.95   0.02   0.02) =   0.249%
          HG3   LYS+  33 - HA    GLU-  25  12.74 +/- 1.81   0.195% *  2.2744% (0.28   0.02   0.02) =   0.194%
          HB3   ASP-  44 - HA    GLU-  25  16.04 +/- 0.97   0.038% *  5.9400% (0.73   0.02   0.02) =   0.097%
          HB    VAL   42 - HA    GLU-  25  16.15 +/- 0.68   0.034% *  2.7903% (0.34   0.02   0.02) =   0.042%
          HB3   PRO   93 - HA    GLU-  25  20.51 +/- 0.94   0.008% *  8.1620% (1.00   0.02   0.02) =   0.029%
          HG3   LYS+ 106 - HA    GLU-  25  20.25 +/- 1.53   0.010% *  5.2918% (0.65   0.02   0.02) =   0.023%
          HB3   PRO   93 - HA    SER   82  19.33 +/- 1.97   0.017% *  2.6440% (0.32   0.02   0.02) =   0.019%
          HB3   ASP-  44 - HA    SER   82  19.36 +/- 2.40   0.018% *  1.9242% (0.24   0.02   0.02) =   0.016%
          HB2   LEU   63 - HA    GLU-  25  21.15 +/- 0.76   0.007% *  4.9615% (0.61   0.02   0.02) =   0.015%
          HB3   LEU   73 - HA    SER   82  18.66 +/- 2.93   0.026% *  1.0894% (0.13   0.02   0.02) =   0.012%
          HG3   LYS+ 102 - HA    GLU-  25  21.61 +/- 2.05   0.007% *  3.6674% (0.45   0.02   0.02) =   0.011%
          HG    LEU   98 - HA    SER   82  24.43 +/- 4.48   0.009% *  2.5067% (0.31   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HA    SER   82  25.63 +/- 4.92   0.007% *  1.7142% (0.21   0.02   0.02) =   0.005%
          QB    ALA  124 - HA    GLU-  25  27.42 +/- 1.34   0.001% *  7.0957% (0.87   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    SER   82  23.22 +/- 5.06   0.009% *  0.9039% (0.11   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HA    GLU-  25  25.26 +/- 1.54   0.002% *  2.7903% (0.34   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  24.35 +/- 3.26   0.005% *  0.9039% (0.11   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    SER   82  25.95 +/- 2.35   0.002% *  1.6072% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    GLU-  25  27.14 +/- 1.89   0.002% *  2.2744% (0.28   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    GLU-  25  29.92 +/- 1.09   0.001% *  4.3037% (0.53   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  25.62 +/- 3.83   0.004% *  0.7368% (0.09   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    SER   82  28.51 +/- 3.21   0.002% *  1.3942% (0.17   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    SER   82  26.85 +/- 4.20   0.003% *  0.7368% (0.09   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    SER   82  32.35 +/- 2.99   0.001% *  2.2986% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    SER   82  32.15 +/- 4.71   0.001% *  1.1880% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  29.85 +/- 2.12   0.001% *  0.9039% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 4 structures by 0.72 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.74, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  16.52 +/- 1.50  37.236% * 22.9376% (0.92   0.02   0.02) =  59.956%  kept
          QG2   VAL  108 - HA    SER   82  17.69 +/- 3.57  30.892% *  7.4304% (0.30   0.02   0.02) =  16.113%  kept
          HB2   LEU  104 - HA    GLU-  25  21.58 +/- 1.28   7.655% * 19.8967% (0.80   0.02   0.02) =  10.692%  kept
          QD1   ILE  119 - HA    GLU-  25  21.32 +/- 0.81   8.159% * 12.0948% (0.49   0.02   0.02) =   6.927%  kept
          HG    LEU   63 - HA    GLU-  25  22.67 +/- 1.40   6.075% *  5.5320% (0.22   0.02   0.02) =   2.359%  kept
          HG3   LYS+ 112 - HA    GLU-  25  29.07 +/- 1.95   1.417% * 15.0711% (0.61   0.02   0.02) =   1.499%  kept
          QD1   ILE  119 - HA    SER   82  23.87 +/- 2.26   3.792% *  3.9180% (0.16   0.02   0.02) =   1.043%  kept
          HG3   LYS+ 112 - HA    SER   82  27.82 +/- 3.34   2.009% *  4.8821% (0.20   0.02   0.02) =   0.688%  kept
          HB2   LEU  104 - HA    SER   82  29.63 +/- 4.28   1.143% *  6.4453% (0.26   0.02   0.02) =   0.517%  kept
          HG    LEU   63 - HA    SER   82  27.43 +/- 2.50   1.621% *  1.7920% (0.07   0.02   0.02) =   0.204%
    Distance limit 3.89 A violated in 20 structures by 9.81 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.272, support = 2.73, residual support = 17.4:
          HB2   GLU-  25 - HA    THR   26   4.00 +/- 0.26  18.159% * 80.5421% (0.31   4.07  29.63) =  56.933%  kept
          HB2   GLU-  29 - HA    THR   26   3.03 +/- 0.45  81.812% * 13.5231% (0.22   0.95   1.12) =  43.066%  kept
          HB3   ASP-  76 - HA    THR   26  13.73 +/- 1.05   0.011% *  1.1488% (0.90   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    THR   26  15.23 +/- 0.78   0.006% *  1.1488% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.43 +/- 1.24   0.006% *  0.5266% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.00 +/- 1.25   0.002% *  1.2118% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.91 +/- 0.58   0.002% *  0.6235% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.53 +/- 0.89   0.000% *  0.8799% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  23.38 +/- 1.44   0.000% *  0.3954% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.83, residual support = 36.0:
      O   HN    THR   26 - HA    THR   26   2.85 +/- 0.02  99.994% * 99.6670% (0.34  10.0   4.83  35.99) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.45 +/- 0.47   0.006% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.55 +/- 0.89   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.17, residual support = 2.78:
          HN    GLU-  29 - HA    THR   26   3.37 +/- 0.10  84.399% * 15.4684% (0.22   0.88   1.12) =  51.359%  kept
          HN    GLN   30 - HA    THR   26   4.58 +/- 0.43  15.588% * 79.3171% (0.69   1.47   4.53) =  48.640%  kept
          HN    GLU-  14 - HA    THR   26  18.00 +/- 1.90   0.004% *  1.5401% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  18.89 +/- 3.32   0.005% *  0.9530% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.82 +/- 0.93   0.003% *  1.3124% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.34 +/- 2.34   0.001% *  1.4091% (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 = 0.52, support = 1.94, residual support = 9.11:
          HN    THR   23 - HB    THR   26   3.83 +/- 0.08  51.355% * 72.2501% (0.38   2.44  11.87) =  76.565%  kept
          HD2   HIS   22 - HB    THR   26   3.94 +/- 0.57  48.620% * 23.3574% (0.99   0.30   0.12) =  23.434%  kept
          HD21  ASN   35 - HB    THR   26  16.22 +/- 1.15   0.010% *  1.0840% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  15.79 +/- 0.92   0.011% *  0.5383% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  19.81 +/- 0.76   0.003% *  1.2060% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.06 +/- 1.55   0.002% *  1.5641% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   3.17 +/- 0.09  99.906% * 98.1040% (0.84   4.50  22.72) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  16.70 +/- 4.58   0.030% *  0.4527% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  19.54 +/- 6.47   0.045% *  0.0914% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.79 +/- 0.41   0.005% *  0.4681% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.59 +/- 0.42   0.007% *  0.2540% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  18.82 +/- 1.84   0.003% *  0.2540% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.15 +/- 0.66   0.002% *  0.2146% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  19.45 +/- 1.42   0.002% *  0.1611% (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 = 36.0:
      O   HN    THR   26 - HB    THR   26   2.08 +/- 0.06  99.999% * 99.9615% (0.80  10.0   4.16  35.99) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  14.17 +/- 0.59   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.175, support = 0.75, residual support = 2.74:
          HA    CYS   21 - QG2   THR   26   1.77 +/- 0.04  99.869% * 81.7100% (0.18   0.75   2.74) =  99.983%  kept
          HA    ALA   20 - QG2   THR   26   5.38 +/- 0.05   0.125% * 10.7923% (0.87   0.02   0.02) =   0.017%
          HA    LEU   71 - QG2   THR   26   9.06 +/- 0.53   0.006% *  1.9197% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  16.97 +/- 0.97   0.000% *  5.5780% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.874, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.44 +/- 1.22  66.961% * 18.7520% (0.92   0.02   0.02) =  79.015%  kept
          HB2   PRO   93 - QG2   THR   26  16.61 +/- 0.93   7.552% * 12.3210% (0.61   0.02   0.02) =   5.855%  kept
          HG2   MET   11 - QG2   THR   26  18.49 +/- 2.60   4.793% * 19.2160% (0.95   0.02   0.02) =   5.796%  kept
          HG3   PRO   52 - QG2   THR   26  20.38 +/- 1.93   2.783% * 17.6208% (0.87   0.02   0.02) =   3.086%  kept
          HG2   PRO   58 - QG2   THR   26  20.76 +/- 0.41   1.979% * 17.6208% (0.87   0.02   0.02) =   2.195%  kept
          HB2   PRO   68 - QG2   THR   26  16.04 +/- 1.04   9.708% *  3.1343% (0.15   0.02   0.02) =   1.915%  kept
          HB    VAL  108 - QG2   THR   26  18.61 +/- 0.92   4.179% *  5.0653% (0.25   0.02   0.02) =   1.332%  kept
          HB2   ARG+  54 - QG2   THR   26  21.00 +/- 0.88   2.044% *  6.2698% (0.31   0.02   0.02) =   0.807%  kept
    Distance limit 3.39 A violated in 20 structures by 7.26 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 = 4.53:
        T HG2   GLN   30 - QG2   THR   26   2.98 +/- 0.61  99.243% * 99.5048% (0.99 10.00   0.75   4.53) =  99.998%  kept
          HB3   ASN   28 - QG2   THR   26   7.34 +/- 0.14   0.752% *  0.2584% (0.97  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   THR   26  19.58 +/- 2.24   0.003% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.64 +/- 1.03   0.003% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 33.8:
          QD1   LEU   73 - HB3   TRP   27   2.10 +/- 0.45  99.412% * 98.2887% (1.00   4.53  33.80) =  99.998%  kept
          QD2   LEU   80 - HB3   TRP   27  10.41 +/- 5.19   0.542% *  0.3475% (0.80   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   TRP   27  11.49 +/- 3.01   0.037% *  0.0760% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   TRP   27  12.24 +/- 0.86   0.005% *  0.4340% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.31 +/- 0.97   0.002% *  0.2457% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  17.03 +/- 1.05   0.001% *  0.3625% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  14.72 +/- 1.14   0.001% *  0.2457% (0.57   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 = 3.72, residual support = 26.8:
        T HA    VAL   24 - HB3   TRP   27   3.10 +/- 0.13  99.959% * 98.5200% (0.76 10.00   3.72  26.78) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.81 +/- 0.79   0.009% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  13.86 +/- 1.46   0.018% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27  15.49 +/- 3.59   0.013% *  0.0174% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.51, residual support = 26.8:
          HA    VAL   24 - HB2   TRP   27   1.75 +/- 0.09 100.000% * 99.3045% (0.97   3.51  26.78) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  15.57 +/- 0.77   0.000% *  0.4698% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  16.98 +/- 0.73   0.000% *  0.0794% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  19.51 +/- 1.11   0.000% *  0.1463% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.898, support = 4.47, residual support = 33.5:
          QD1   LEU   73 - HB2   TRP   27   3.10 +/- 0.68  91.272% * 89.1891% (0.90   4.51  33.80) =  99.082%  kept
          QD2   LEU   80 - HB2   TRP   27   9.90 +/- 5.52   8.091% *  9.3070% (0.98   0.43   0.02) =   0.917%  kept
          QG1   VAL   83 - HB2   TRP   27  10.81 +/- 3.14   0.593% *  0.1657% (0.38   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   TRP   27  13.30 +/- 0.94   0.020% *  0.3958% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.47 +/- 1.24   0.007% *  0.3687% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  17.94 +/- 1.13   0.005% *  0.4375% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  14.46 +/- 1.05   0.011% *  0.1362% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.23, residual support = 18.1:
          QD1   LEU   31 - HA    ASN   28   3.01 +/- 0.61 100.000% *100.0000% (0.76   3.23  18.07) = 100.000%  kept
    Distance limit 3.64 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 = 4.88, residual support = 90.4:
      O T HA    GLU-  29 - HG3   GLU-  29   3.53 +/- 0.10  99.739% * 97.0747% (0.22  10.0 10.00   4.88  90.40) =  99.997%  kept
        T HA    LYS+  33 - HG3   GLU-  29  10.30 +/- 0.84   0.211% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB2   SER   37 - HG3   GLU-  29  15.09 +/- 1.04   0.020% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.77 +/- 1.24   0.007% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.85 +/- 1.16   0.011% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  19.26 +/- 4.57   0.009% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  22.01 +/- 1.23   0.002% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.64 +/- 1.05   0.000% *  0.2821% (0.65   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 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 109.3:
      O   HD1   TRP   27 - HB2   TRP   27   3.77 +/- 0.28  94.471% * 99.7286% (0.98  10.0   3.66 109.27) =  99.994%  kept
          HE21  GLN   30 - HB2   TRP   27   6.98 +/- 1.15   5.505% *  0.0939% (0.92   1.0   0.02   0.02) =   0.005%
          QD    PHE   59 - HB2   TRP   27  16.18 +/- 1.10   0.018% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  20.55 +/- 3.08   0.007% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.51, residual support = 109.3:
      O   HN    TRP   27 - HB2   TRP   27   2.10 +/- 0.02  99.989% * 99.5184% (0.76  10.0   5.51 109.27) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  15.08 +/- 4.28   0.004% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  14.54 +/- 0.95   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  13.97 +/- 0.25   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  17.77 +/- 6.09   0.003% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  15.20 +/- 1.69   0.001% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.93 +/- 1.95   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.69 +/- 0.55   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 = 52.8:
          HN    ASN   28 - HB2   TRP   27   2.90 +/- 0.12  93.326% * 99.5642% (0.92   5.59  52.82) =  99.996%  kept
          HN    GLU-  25 - HB2   TRP   27   4.55 +/- 0.06   6.479% *  0.0595% (0.15   0.02   0.02) =   0.004%
          HN    ASP-  44 - HB2   TRP   27   8.25 +/- 0.45   0.194% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  18.47 +/- 1.12   0.002% *  0.3088% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.765, support = 4.49, residual support = 108.7:
      O   HE3   TRP   27 - HB3   TRP   27   3.29 +/- 0.19  95.898% * 88.0284% (0.76  10.0   4.50 109.27) =  99.500%  kept
          HN    THR   23 - HB3   TRP   27   5.70 +/- 0.19   3.652% * 11.6172% (0.98   1.0   2.06   0.51) =   0.500%  kept
          HD2   HIS   22 - HB3   TRP   27   8.32 +/- 0.41   0.400% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.37 +/- 0.87   0.040% *  0.1142% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  16.58 +/- 0.92   0.007% *  0.0791% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.32 +/- 0.82   0.001% *  0.0962% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.46 +/- 1.38   0.002% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 109.3:
      O   HD1   TRP   27 - HB3   TRP   27   3.39 +/- 0.12  87.214% * 99.7286% (0.98  10.0   4.09 109.27) =  99.986%  kept
          HE21  GLN   30 - HB3   TRP   27   5.47 +/- 1.27  12.770% *  0.0939% (0.92   1.0   0.02   0.02) =   0.014%
          QD    PHE   59 - HB3   TRP   27  15.14 +/- 1.11   0.013% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  20.58 +/- 2.97   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 109.3:
      O   HN    TRP   27 - HB3   TRP   27   2.92 +/- 0.05  99.937% * 99.5184% (0.76  10.0   5.64 109.27) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  15.85 +/- 4.32   0.015% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  13.53 +/- 0.99   0.012% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.46 +/- 0.32   0.011% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  14.78 +/- 1.60   0.008% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  18.86 +/- 5.96   0.011% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  17.19 +/- 1.93   0.003% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.31 +/- 0.54   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 52.8:
          HN    ASN   28 - HB3   TRP   27   4.16 +/- 0.08  99.975% * 99.4979% (0.65   6.07  52.82) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  16.86 +/- 1.12   0.025% *  0.5021% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.84, residual support = 18.1:
          HN    LEU   31 - HA    ASN   28   3.36 +/- 0.07  99.918% * 95.4432% (0.22   3.84  18.07) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.65 +/- 0.31   0.035% *  2.1896% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.15 +/- 0.21   0.045% *  0.3912% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  25.39 +/- 1.06   0.001% *  1.3549% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.38 +/- 0.55   0.001% *  0.6211% (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 = 4.54, residual support = 8.89:
          HN    GLN   30 - HA    ASN   28   3.86 +/- 0.07  99.305% * 93.5510% (0.18   4.54   8.89) =  99.995%  kept
          HN    ASN   35 - HA    ASN   28   9.03 +/- 0.31   0.626% *  0.5241% (0.22   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    ASN   28  13.79 +/- 1.07   0.054% *  2.1732% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.31 +/- 3.00   0.010% *  2.0421% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  20.40 +/- 1.82   0.005% *  1.7095% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.8, residual support = 105.3:
      O   HN    ASN   28 - HB2   ASN   28   2.65 +/- 0.15  99.984% * 99.7686% (0.65  10.0   6.80 105.25) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  12.08 +/- 1.17   0.014% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.00 +/- 1.22   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.46 +/- 0.87   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 = 105.3:
      O   HD22  ASN   28 - HB3   ASN   28   3.87 +/- 0.20  99.983% * 99.9746% (0.98  10.0   4.18 105.25) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.61 +/- 0.37   0.017% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 105.3:
      O   HD21  ASN   28 - HB3   ASN   28   3.15 +/- 0.26  99.941% * 99.7595% (0.87  10.0   3.60 105.25) = 100.000%  kept
          HZ2   TRP   87 - HB3   ASN   28  17.13 +/- 5.81   0.053% *  0.1127% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB3   ASN   28  17.12 +/- 0.91   0.004% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.13 +/- 0.48   0.001% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.40 +/- 0.82   0.000% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.498, support = 5.46, residual support = 31.0:
          HN    GLU-  29 - HB3   ASN   28   3.51 +/- 0.19  90.364% * 46.8834% (0.45   5.74  33.63) =  89.434%  kept
          HN    GLN   30 - HB3   ASN   28   5.11 +/- 0.09   9.613% * 52.0665% (0.92   3.10   8.89) =  10.566%  kept
          HN    LYS+  99 - HB3   ASN   28  15.86 +/- 1.07   0.012% *  0.2063% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   ASN   28  19.26 +/- 4.07   0.007% *  0.3161% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  22.00 +/- 1.85   0.002% *  0.2918% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  21.73 +/- 3.03   0.002% *  0.2358% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.58, residual support = 105.3:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.01  98.413% * 99.8777% (0.92  10.0   6.58 105.25) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.08 +/- 0.19   1.557% *  0.0167% (0.15   1.0   0.02   2.77) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.88 +/- 0.49   0.028% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.55 +/- 0.86   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.8:
          HN    GLN   30 - HB2   ASN   28   4.49 +/- 0.04  98.154% *  7.8959% (0.38   0.02   8.89) =  99.038%  kept
          HN    GLN   30 - HB2   ASN   35   9.56 +/- 1.01   1.312% *  2.4562% (0.12   0.02   0.02) =   0.412%
          HN    LYS+  99 - HB2   ASN   35  11.93 +/- 1.48   0.395% *  6.5298% (0.31   0.02   0.02) =   0.330%
          HN    LYS+  99 - HB2   ASN   28  16.81 +/- 1.07   0.039% * 20.9915% (1.00   0.02   0.02) =   0.104%
          HN    ASP-  86 - HB2   ASN   28  18.74 +/- 3.91   0.036% *  6.4934% (0.31   0.02   0.02) =   0.030%
          HN    GLU-  14 - HB2   ASN   28  21.12 +/- 1.88   0.011% * 19.9013% (0.95   0.02   0.02) =   0.027%
          HE1   HIS  122 - HB2   ASN   28  22.05 +/- 2.84   0.009% * 20.9915% (1.00   0.02   0.02) =   0.025%
          HE1   HIS  122 - HB2   ASN   35  19.38 +/- 3.66   0.026% *  6.5298% (0.31   0.02   0.02) =   0.021%
          HN    GLU-  14 - HB2   ASN   35  20.08 +/- 1.96   0.015% *  6.1907% (0.29   0.02   0.02) =   0.012%
          HN    ASP-  86 - HB2   ASN   35  28.69 +/- 4.40   0.002% *  2.0199% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.17 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 = 3.76, residual support = 105.3:
      O   HD21  ASN   28 - HB2   ASN   28   3.40 +/- 0.23  99.825% * 99.5979% (0.61  10.0   3.76 105.25) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28  16.83 +/- 5.92   0.084% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  11.65 +/- 1.30   0.078% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.60 +/- 0.83   0.008% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.53 +/- 1.64   0.003% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  25.89 +/- 5.77   0.001% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.42, residual support = 19.4:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  97.439% * 98.9280% (0.49  10.0   5.42  19.40) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.18   1.718% *  0.0222% (0.11   1.0   0.02   1.63) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.88 +/- 0.22   0.740% *  0.0271% (0.13   1.0   0.02   0.27) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.69 +/- 1.09   0.009% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.74 +/- 1.22   0.031% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.43 +/- 2.18   0.021% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.46 +/- 0.77   0.020% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  19.08 +/- 2.02   0.005% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.19 +/- 2.86   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.75 +/- 2.79   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.43 +/- 2.07   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  22.40 +/- 3.85   0.002% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.60 +/- 3.28   0.003% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  26.50 +/- 4.14   0.001% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.69 +/- 3.68   0.000% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 5.12, residual support = 85.1:
      O   HN    GLU-  29 - HB2   GLU-  29   2.31 +/- 0.37  88.907% * 60.2496% (0.41  10.0   5.05  90.40) =  92.472%  kept
          HN    GLN   30 - HB2   GLU-  29   3.37 +/- 0.20  11.091% * 39.3160% (0.90   1.0   5.98  19.40) =   7.528%  kept
          HN    GLU-  14 - HB2   GLU-  29  17.76 +/- 2.14   0.001% *  0.1224% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  21.25 +/- 3.55   0.000% *  0.1224% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.08 +/- 1.06   0.001% *  0.0889% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.46 +/- 2.57   0.000% *  0.1007% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.497, support = 4.73, residual support = 77.8:
      O   HN    GLU-  29 - HB3   GLU-  29   3.31 +/- 0.39  69.827% * 66.1401% (0.41  10.0   4.76  90.40) =  82.301%  kept
          HN    GLN   30 - HB3   GLU-  29   3.86 +/- 0.28  29.942% * 33.1702% (0.90   1.0   4.60  19.40) =  17.699%  kept
          HN    GLN   30 - QB    GLU-  36   9.69 +/- 0.32   0.127% *  0.0447% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  11.17 +/- 0.47   0.054% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  15.22 +/- 2.12   0.020% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  17.50 +/- 2.18   0.005% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.70 +/- 0.71   0.017% *  0.0302% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.24 +/- 1.08   0.003% *  0.0976% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  22.57 +/- 3.85   0.001% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.85 +/- 2.66   0.003% *  0.0342% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.84 +/- 2.76   0.001% *  0.1105% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  28.13 +/- 3.51   0.000% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.894, support = 4.29, residual support = 90.0:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.91 +/- 0.13  27.109% * 95.1378% (0.99  10.0 10.00   4.29  90.40) =  89.790%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.45 +/- 0.09  72.869% *  4.0244% (0.04  10.0 10.00   4.30  86.87) =  10.210%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.52 +/- 0.86   0.013% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  12.11 +/- 1.17   0.006% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  21.63 +/- 4.18   0.000% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.06 +/- 0.81   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.11 +/- 1.13   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.53 +/- 0.84   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  26.30 +/- 1.01   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.64 +/- 0.69   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  24.12 +/- 0.95   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.88 +/- 0.54   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  28.76 +/- 1.67   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  27.14 +/- 3.55   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  27.59 +/- 2.07   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.83 +/- 0.73   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 = 0.271, residual support = 0.271:
          QD    LYS+  33 - HA    GLN   30   3.73 +/- 1.23  99.894% * 80.6244% (0.95   0.27   0.27) =  99.996%  kept
          HD2   LYS+  74 - HA    GLN   30  15.04 +/- 0.93   0.086% *  2.3645% (0.38   0.02   0.02) =   0.003%
          QB    ALA   57 - HA    GLN   30  20.35 +/- 0.73   0.012% *  4.3276% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  25.77 +/- 2.42   0.006% *  5.9596% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.11 +/- 2.13   0.001% *  4.5748% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  28.24 +/- 1.41   0.002% *  2.1490% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 6 structures by 0.54 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.153, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.23 +/- 1.28  99.790% *  8.2693% (0.15   0.02   0.02) =  99.437%  kept
          QD2   LEU  123 - HA    GLN   30  21.02 +/- 2.07   0.046% * 48.0646% (0.90   0.02   0.02) =   0.266%
          HB3   LEU  104 - HA    GLN   30  19.61 +/- 1.05   0.073% * 22.0331% (0.41   0.02   0.02) =   0.193%
          QD1   LEU  123 - HA    GLN   30  19.69 +/- 1.57   0.069% *  8.2693% (0.15   0.02   0.02) =   0.069%
          HG3   LYS+ 121 - HA    GLN   30  23.70 +/- 1.68   0.022% * 13.3638% (0.25   0.02   0.02) =   0.035%
    Distance limit 3.93 A violated in 11 structures by 1.36 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 = 6.23, residual support = 153.2:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.291% * 99.6773% (0.98  10.0   6.23 153.23) =  99.998%  kept
          HN    GLU-  29 - HA    GLN   30   5.15 +/- 0.04   2.695% *  0.0576% (0.57   1.0   0.02  19.40) =   0.002%
          HN    GLU-  14 - HA    GLN   30  14.77 +/- 1.91   0.007% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.75 +/- 1.00   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.93 +/- 2.57   0.001% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  23.68 +/- 3.54   0.000% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.3, residual support = 153.2:
      O   HN    GLN   30 - HB2   GLN   30   2.55 +/- 0.65  98.225% * 99.6773% (0.98  10.0   6.30 153.23) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.05 +/- 0.76   1.743% *  0.0576% (0.57   1.0   0.02  19.40) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  15.22 +/- 2.02   0.012% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.59 +/- 1.16   0.016% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  17.22 +/- 2.50   0.004% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  21.69 +/- 3.73   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 153.2:
      O   HN    GLN   30 - HB3   GLN   30   2.95 +/- 0.54  97.640% * 99.4549% (0.65  10.0   6.54 153.23) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.52 +/- 0.63   2.319% *  0.0304% (0.20   1.0   0.02  19.40) =   0.001%
          HN    LYS+  99 - HB3   GLN   30  13.03 +/- 1.07   0.022% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  15.07 +/- 1.65   0.010% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.80 +/- 2.64   0.007% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  22.03 +/- 3.40   0.001% *  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 = 0.641, support = 6.99, residual support = 151.6:
          HN    GLN   30 - HG2   GLN   30   3.44 +/- 0.31  93.981% * 82.4306% (0.65   7.02 153.23) =  98.756%  kept
          HN    GLU-  29 - HG2   GLN   30   5.45 +/- 0.39   5.964% * 16.3539% (0.20   4.55  19.40) =   1.243%  kept
          HN    GLU-  14 - HG2   GLN   30  13.86 +/- 1.92   0.034% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.50 +/- 0.98   0.013% *  0.3149% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.32 +/- 2.26   0.006% *  0.3352% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  21.75 +/- 3.33   0.003% *  0.2056% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.869, support = 3.95, residual support = 151.6:
      O   HE21  GLN   30 - HG2   GLN   30   3.79 +/- 0.09  80.034% * 95.6328% (0.87  10.0   3.98 153.23) =  98.922%  kept
          HD1   TRP   27 - HG2   GLN   30   5.03 +/- 0.90  19.956% *  4.1815% (1.00   1.0   0.76   0.02) =   1.078%  kept
          QD    PHE   59 - HG2   GLN   30  17.66 +/- 1.18   0.009% *  0.1100% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  24.89 +/- 3.10   0.001% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.74, residual support = 153.2:
      O   HE21  GLN   30 - HG3   GLN   30   4.12 +/- 0.09  76.495% * 99.5784% (0.87  10.0   2.74 153.23) =  99.975%  kept
          HD1   TRP   27 - HG3   GLN   30   5.66 +/- 1.11  16.016% *  0.1145% (1.00   1.0   0.02   0.02) =   0.024%
          QD    PHE   59 - HB2   LYS+ 111   8.29 +/- 1.52   2.856% *  0.0230% (0.20   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   7.05 +/- 0.87   4.079% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.57 +/- 1.92   0.488% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.45 +/- 1.19   0.010% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  17.47 +/- 3.02   0.026% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.36 +/- 2.94   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.77 +/- 1.13   0.013% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.20 +/- 1.26   0.011% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  23.86 +/- 1.58   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.37 +/- 1.90   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 5.87, residual support = 151.9:
          HN    GLN   30 - HG3   GLN   30   3.58 +/- 0.44  94.513% * 83.5990% (0.65   5.89 153.23) =  99.041%  kept
          HN    GLU-  29 - HG3   GLN   30   5.78 +/- 0.56   5.302% * 14.4200% (0.20   3.32  19.40) =   0.958%  kept
          HN    GLU-  14 - HG3   GLN   30  13.50 +/- 1.81   0.063% *  0.4347% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.35 +/- 1.11   0.022% *  0.3804% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.59 +/- 2.31   0.008% *  0.4048% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.49 +/- 2.08   0.038% *  0.0814% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.82 +/- 1.72   0.021% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  23.10 +/- 3.49   0.002% *  0.2483% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.09 +/- 1.73   0.004% *  0.0765% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  16.76 +/- 1.58   0.013% *  0.0193% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  24.63 +/- 4.25   0.003% *  0.0499% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.49 +/- 0.58   0.004% *  0.0296% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.02 +/- 1.02   0.003% *  0.0221% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.52 +/- 1.49   0.001% *  0.0570% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.15 +/- 1.71   0.001% *  0.0339% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.89 +/- 2.04   0.000% *  0.0874% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.81 +/- 1.00   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.69 +/- 1.48   0.000% *  0.0174% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.188, support = 4.04, residual support = 33.1:
          HG    LEU   31 - HB3   GLN   30   5.00 +/- 0.63  27.510% * 74.0181% (0.15  1.00   5.84  48.69) =  64.636%  kept
          QD2   LEU   73 - HB3   GLN   30   4.14 +/- 0.93  72.472% * 15.3717% (0.25  1.00   0.75   4.71) =  35.362%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.56 +/- 1.18   0.008% *  8.0018% (0.49 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - HB3   GLN   30  19.38 +/- 2.09   0.007% *  0.9971% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  21.53 +/- 1.67   0.003% *  1.6114% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.94, residual support = 4.71:
          QD1   LEU   73 - HB3   GLN   30   3.76 +/- 0.96  99.537% * 96.6566% (0.87   2.94   4.71) =  99.997%  kept
          QD1   LEU   63 - HB3   GLN   30  13.33 +/- 0.85   0.111% *  0.6572% (0.87   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   GLN   30  13.71 +/- 1.10   0.110% *  0.6572% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   GLN   30  14.10 +/- 4.64   0.077% *  0.7509% (0.99   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   GLN   30  13.70 +/- 0.87   0.116% *  0.2107% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.62 +/- 1.04   0.015% *  0.7560% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   GLN   30  15.04 +/- 2.83   0.034% *  0.3115% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 5 structures by 0.46 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.73 +/- 1.88  35.080% * 54.6388% (0.97   0.02   0.02) =  63.522%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.97 +/- 1.79  19.131% * 36.6255% (0.65   0.02   0.02) =  23.221%  kept
          QD1   ILE   56 - HB2   GLN   30  18.69 +/- 1.22  45.790% *  8.7356% (0.15   0.02   0.02) =  13.257%  kept
    Distance limit 3.43 A violated in 20 structures by 12.84 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.35, residual support = 4.71:
          QD1   LEU   73 - HB2   GLN   30   3.90 +/- 1.07  99.311% * 93.0116% (0.87   1.35   4.71) =  99.992%  kept
          QD1   LEU  104 - HB2   GLN   30  14.21 +/- 1.27   0.164% *  1.3737% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   GLN   30  13.60 +/- 0.87   0.152% *  1.3737% (0.87   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   GLN   30  13.70 +/- 5.04   0.131% *  1.5696% (0.99   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   GLN   30  14.03 +/- 1.04   0.182% *  0.4403% (0.28   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   GLN   30  18.82 +/- 1.02   0.020% *  1.5801% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   GLN   30  14.78 +/- 3.10   0.041% *  0.6510% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 5 structures by 0.57 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.64, residual support = 153.2:
      O T HA    GLN   30 - HG3   GLN   30   2.12 +/- 0.29  97.971% * 98.6729% (0.65  10.0 10.00   4.64 153.23) = 100.000%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.17 +/- 1.48   0.063% *  0.0863% (0.06   1.0 10.00   0.02   0.44) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   5.69 +/- 1.97   1.812% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30   8.77 +/- 0.94   0.032% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.15 +/- 1.29   0.012% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.05 +/- 1.56   0.079% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.22 +/- 2.15   0.003% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  11.47 +/- 0.97   0.008% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.87 +/- 1.68   0.002% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.56 +/- 1.98   0.013% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  21.13 +/- 3.85   0.000% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  18.91 +/- 3.29   0.001% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.13 +/- 1.73   0.003% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  23.27 +/- 3.03   0.000% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.32 +/- 1.06   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.32 +/- 2.38   0.000% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.48 +/- 1.58   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.76 +/- 1.29   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.38 +/- 1.17   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  27.49 +/- 1.58   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.00 +/- 4.99   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.34 +/- 2.20   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  23.17 +/- 0.93   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.97 +/- 1.14   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.37 +/- 1.43   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.79 +/- 1.80   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.04 +/- 2.09   0.000% *  0.0245% (0.16   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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.31, residual support = 16.7:
          HZ2   TRP   27 - QD1   LEU   31   3.54 +/- 0.43  99.958% * 99.8463% (0.87   2.31  16.66) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  13.16 +/- 0.96   0.042% *  0.1537% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.987, residual support = 18.1:
          HD21  ASN   28 - QD1   LEU   31   3.75 +/- 0.42  99.699% * 93.9589% (0.92   0.99  18.07) =  99.997%  kept
          HZ2   TRP   87 - QD1   LEU   31  15.53 +/- 4.46   0.128% *  1.5760% (0.76   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   31  12.79 +/- 1.38   0.115% *  0.4081% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  16.58 +/- 1.09   0.018% *  1.5760% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   31  17.26 +/- 3.36   0.025% *  0.5734% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   31  20.15 +/- 1.41   0.006% *  1.3341% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  19.18 +/- 1.74   0.008% *  0.5734% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 0.02:
          HN    ASP- 105 - QD1   LEU   31  11.52 +/- 1.14  89.157% * 18.6164% (0.34   0.02   0.02) =  76.083%  kept
          HN    ALA   88 - QD1   LEU   31  18.69 +/- 3.30   8.784% * 52.6698% (0.97   0.02   0.02) =  21.206%  kept
          HN    PHE   55 - QD1   LEU   31  21.78 +/- 1.47   2.060% * 28.7138% (0.53   0.02   0.02) =   2.711%  kept
    Distance limit 4.17 A violated in 20 structures by 7.12 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.39, residual support = 230.3:
          HN    LEU   31 - HG    LEU   31   3.00 +/- 0.53  99.833% * 99.1056% (0.67   7.39 230.31) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.04 +/- 0.90   0.165% *  0.2078% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  21.06 +/- 1.01   0.001% *  0.2881% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  25.30 +/- 1.46   0.000% *  0.3184% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  25.81 +/- 1.39   0.000% *  0.0801% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.02, residual support = 230.3:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.01  99.503% * 99.3670% (0.34  10.0   7.02 230.31) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.59 +/- 0.39   0.495% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  22.70 +/- 1.03   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  27.54 +/- 1.55   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 5.71, residual support = 43.3:
          HN    GLN   32 - HB3   LEU   31   3.79 +/- 0.17  82.927% * 79.1466% (0.76   5.94  45.35) =  94.987%  kept
          HN    ALA   34 - HB3   LEU   31   4.96 +/- 0.12  17.065% * 20.2993% (0.84   1.39   5.29) =   5.013%  kept
          HN    LEU   80 - HB3   LEU   31  21.37 +/- 3.79   0.005% *  0.2534% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  24.47 +/- 4.13   0.002% *  0.1309% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  26.38 +/- 1.79   0.001% *  0.1698% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.57, residual support = 18.1:
        T HA    ASN   28 - HB2   LEU   31   3.48 +/- 0.17  97.842% * 98.0556% (0.73 10.00   2.57  18.07) =  99.987%  kept
        T HA    ALA   34 - HB2   LEU   31   7.64 +/- 0.15   0.913% *  1.2110% (0.90 10.00   0.02   5.29) =   0.012%
          HA1   GLY  101 - HB2   LEU   31   8.78 +/- 1.91   0.792% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.57 +/- 0.20   0.450% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  23.27 +/- 1.15   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.54 +/- 2.23   0.000% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.51 +/- 1.53   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.60 +/- 1.48   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  27.35 +/- 1.40   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 7.02, residual support = 230.3:
      O   HN    LEU   31 - HB2   LEU   31   2.41 +/- 0.09  99.975% * 99.3670% (0.34  10.0   7.02 230.31) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.70 +/- 0.31   0.025% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  23.10 +/- 0.83   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  27.48 +/- 1.38   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 5.91, residual support = 45.1:
          HN    GLN   32 - HB2   LEU   31   2.86 +/- 0.15  97.677% * 79.1461% (0.76   5.94  45.35) =  99.394%  kept
          HN    ALA   34 - HB2   LEU   31   5.35 +/- 0.13   2.320% * 20.2997% (0.84   1.39   5.29) =   0.606%  kept
          HN    LEU   80 - HB2   LEU   31  20.39 +/- 3.72   0.002% *  0.2534% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  23.53 +/- 4.07   0.001% *  0.1309% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  26.29 +/- 1.64   0.000% *  0.1698% (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 = 7.02, residual support = 230.3:
      O   HN    LEU   31 - HA    LEU   31   2.76 +/- 0.04  99.719% * 99.3670% (0.34  10.0   7.02 230.31) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.41 +/- 0.31   0.280% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.98 +/- 0.71   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  26.47 +/- 1.24   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.78, support = 5.02, residual support = 36.3:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.03  25.798% * 90.6200% (0.76  10.0   5.94  45.35) =  77.415%  kept
          HN    ALA   34 - HA    LEU   31   3.00 +/- 0.09  74.200% *  9.1917% (0.84   1.0   1.86   5.29) =  22.585%  kept
          HN    LEU   80 - HA    LEU   31  20.93 +/- 3.47   0.001% *  0.0861% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  24.69 +/- 3.75   0.000% *  0.0445% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  25.49 +/- 1.56   0.000% *  0.0577% (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 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 0.0199, residual support = 1.26:
          QD1   LEU   73 - HA    LEU   31   5.65 +/- 1.15  96.545% * 10.4319% (0.49   0.02   1.33) =  94.143%  kept
          QD1   LEU  104 - HA    LEU   31  12.06 +/- 1.04   2.136% * 21.2420% (0.99   0.02   0.02) =   4.241%  kept
          QD1   LEU   63 - HA    LEU   31  14.08 +/- 0.85   0.625% * 10.4319% (0.49   0.02   0.02) =   0.609%  kept
          QD2   LEU   80 - HA    LEU   31  16.38 +/- 5.30   0.300% * 18.5904% (0.87   0.02   0.02) =   0.521%  kept
          QG1   VAL   83 - HA    LEU   31  16.82 +/- 3.27   0.170% * 17.1611% (0.80   0.02   0.02) =   0.273%
          QD2   LEU  115 - HA    LEU   31  19.29 +/- 1.07   0.097% * 17.9012% (0.84   0.02   0.02) =   0.162%
          QG2   ILE   89 - HA    LEU   31  18.13 +/- 2.33   0.128% *  4.2413% (0.20   0.02   0.02) =   0.051%
    Distance limit 3.74 A violated in 15 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 2.62, residual support = 11.8:
          HD1   TRP   87 - QG2   VAL   83   3.77 +/- 1.60  87.416% * 82.7383% (0.53   2.64  11.84) =  99.376%  kept
          HE3   TRP   87 - QG2   VAL   83   7.22 +/- 1.50   2.668% * 13.2543% (0.45   0.50  11.84) =   0.486%
          HN    ALA   91 - QG2   VAL   83   7.56 +/- 1.63   8.653% *  0.9951% (0.84   0.02   0.02) =   0.118%
          HN    TRP   27 - QG2   VAL   83  11.17 +/- 2.99   1.141% *  1.1914% (1.00   0.02   0.02) =   0.019%
          HN    ALA   61 - QG2   VAL   83  16.53 +/- 1.27   0.090% *  0.9105% (0.76   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   VAL   83  21.82 +/- 2.61   0.016% *  0.6745% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  21.85 +/- 3.13   0.016% *  0.2358% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 4 structures by 0.78 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  18.43 +/- 2.01 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.10 A violated in 20 structures by 15.33 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   7.51 +/- 1.19  37.834% * 30.1124% (0.67   0.02   0.02) =  51.025%  kept
          QD    PHE   59 - QG2   VAL   42   7.23 +/- 0.91  46.153% * 17.5479% (0.39   0.02   0.02) =  36.273%  kept
          HD1   TRP   27 - QG2   VAL   42   8.56 +/- 0.94  15.861% * 17.5479% (0.39   0.02   0.02) =  12.465%  kept
          HH2   TRP   49 - QG2   VAL   42  18.67 +/- 1.46   0.152% * 34.7918% (0.77   0.02   0.02) =   0.237%
    Distance limit 3.29 A violated in 20 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.791, support = 0.328, residual support = 1.26:
          QD2   LEU   40 - QG2   VAL   42   3.19 +/- 0.94  70.429% * 65.1586% (0.79  1.00   0.34   1.29) =  97.770%  kept
          QD1   LEU   67 - QG2   VAL   42   4.32 +/- 1.05  22.188% *  3.9117% (0.80  1.00   0.02   0.02) =   1.849%  kept
          QD2   LEU   71 - QG2   VAL   42   6.29 +/- 0.70   4.805% *  1.9083% (0.39  1.00   0.02   2.37) =   0.195%
        T HB    VAL   75 - QG2   VAL   42  10.15 +/- 0.73   0.154% * 19.0828% (0.39 10.00   0.02   0.02) =   0.062%
          QG2   ILE  103 - QG2   VAL   42   7.07 +/- 0.96   0.654% *  3.8857% (0.79  1.00   0.02   0.02) =   0.054%
          HG3   LYS+  74 - QG2   VAL   42   9.96 +/- 1.36   0.484% *  3.7086% (0.76  1.00   0.02   0.02) =   0.038%
          QD1   ILE  103 - QG2   VAL   42   7.48 +/- 1.02   0.550% *  1.4714% (0.30  1.00   0.02   0.02) =   0.017%
          QG2   ILE  119 - QG2   VAL   42   7.86 +/- 0.93   0.736% *  0.8728% (0.18  1.00   0.02   0.02) =   0.014%
    Distance limit 3.01 A violated in 2 structures by 0.30 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 = 0.965, support = 4.06, residual support = 16.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.97 +/- 0.43  54.287% * 96.7099% (0.99 10.00   4.15  16.66) =  97.215%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.35 +/- 1.21  45.713% *  3.2901% (0.07 10.00   1.01   9.32) =   2.785%  kept
    Distance limit 3.26 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 48.7:
          HE22  GLN   30 - QD2   LEU   31   4.07 +/- 0.14  91.901% * 99.1216% (0.90   3.20  48.69) =  99.996%  kept
          HE22  GLN   30 - QG2   VAL   43   6.53 +/- 0.96   7.875% *  0.0419% (0.06   0.02   0.02) =   0.004%
          HD22  ASN   69 - QD2   LEU   31  13.02 +/- 1.14   0.100% *  0.4471% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  19.81 +/- 0.97   0.007% *  0.3364% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.29 +/- 0.72   0.053% *  0.0303% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.82 +/- 0.64   0.064% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.32 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 +/- 0.29  99.720% * 99.3737% (0.50  10.0 10.00   3.00  60.58) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   6.87 +/- 1.09   0.232% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.15 +/- 0.97   0.027% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.28 +/- 0.28   0.015% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.80 +/- 0.75   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.41 +/- 0.67   0.005% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.408, support = 1.74, residual support = 11.2:
          HZ3   TRP   27 - QG2   VAL   43   3.45 +/- 0.89  90.707% * 23.0517% (0.50  1.00   1.67   9.32) =  74.517%  kept
        T HZ3   TRP   27 - QD2   LEU   31   5.88 +/- 1.05   9.293% * 76.9483% (0.14 10.00   1.94  16.66) =  25.483%  kept
    Distance limit 2.95 A violated in 3 structures by 0.38 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.916, support = 4.14, residual support = 43.7:
          HN    GLN   32 - QG    GLN   32   3.23 +/- 0.77  94.460% * 85.2269% (0.92   4.15  44.17) =  99.033%  kept
          HN    ALA   34 - QG    GLN   32   5.66 +/- 0.20   5.535% * 14.1972% (0.22   2.87   0.10) =   0.967%  kept
          HN    SER   85 - QG    GLN   32  24.65 +/- 3.67   0.001% *  0.4294% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  21.71 +/- 3.28   0.002% *  0.0686% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  21.34 +/- 1.11   0.002% *  0.0779% (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 = 4.15, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.21 +/- 0.20  98.935% * 99.8359% (0.92  10.0   4.15  44.17) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.80 +/- 0.15   1.065% *  0.0241% (0.22   1.0   0.02   0.10) =   0.000%
          HN    SER   85 - QB    GLN   32  23.93 +/- 3.48   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  20.69 +/- 3.03   0.000% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.55 +/- 0.91   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 = 0.223, support = 5.64, residual support = 62.8:
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.02  79.778% * 27.4129% (0.14  10.0   5.78  90.40) =  61.174%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  19.516% * 71.1184% (0.36  10.0   5.42  19.40) =  38.824%  kept
          HN    GLN   30 - HA    GLN   32   6.85 +/- 0.18   0.344% *  0.1093% (0.55   1.0   0.02   1.63) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.88 +/- 0.22   0.148% *  0.1125% (0.57   1.0   0.02   0.27) =   0.000%
          HN    GLU-  29 - HA    GLN   32   7.88 +/- 0.33   0.151% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.75 +/- 0.35   0.042% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.74 +/- 1.22   0.006% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.43 +/- 2.18   0.004% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.46 +/- 0.77   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.69 +/- 1.09   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.43 +/- 2.07   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.75 +/- 2.79   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.60 +/- 3.28   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  19.08 +/- 2.02   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  22.40 +/- 3.85   0.000% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.19 +/- 2.86   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  26.50 +/- 4.14   0.000% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.69 +/- 3.68   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.1, residual support = 44.2:
      O   HN    GLN   32 - HA    GLN   32   2.74 +/- 0.01  81.534% * 99.0998% (0.39  10.0   4.10  44.17) =  99.985%  kept
          HN    GLN   32 - HA    GLU-  29   3.59 +/- 0.21  16.892% *  0.0645% (0.25   1.0   0.02   0.02) =   0.013%
          HN    GLN   32 - HA    LYS+  33   5.29 +/- 0.04   1.571% *  0.1020% (0.40   1.0   0.02  11.03) =   0.002%
          HN    SER   85 - HA    GLU-  29  23.23 +/- 3.69   0.000% *  0.1052% (0.41   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.92 +/- 0.68   0.000% *  0.0555% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.64 +/- 1.03   0.000% *  0.0852% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.55 +/- 0.67   0.000% *  0.0877% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  27.48 +/- 4.05   0.000% *  0.1616% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  29.46 +/- 3.48   0.000% *  0.1663% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.31 +/- 1.84   0.001% *  0.0176% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  24.55 +/- 2.08   0.000% *  0.0270% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  25.13 +/- 1.55   0.000% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 139.4:
      O   HN    LYS+  33 - HA    LYS+  33   2.87 +/- 0.01  77.338% * 79.3011% (0.69  10.0   5.59 148.26) =  93.534%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.02  20.787% * 20.3940% (0.18  10.0   4.19  11.03) =   6.465%  kept
          HN    LYS+  33 - HA    GLU-  29   5.46 +/- 0.42   1.846% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.48 +/- 0.23   0.019% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.24 +/- 0.42   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.79 +/- 0.46   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.84 +/- 0.99   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  23.67 +/- 3.40   0.000% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  29.36 +/- 3.27   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.24 +/- 1.08   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.25 +/- 0.82   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  27.35 +/- 3.48   0.000% *  0.0074% (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 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.594, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.18 +/- 0.87  14.860% * 37.1179% (0.92   0.02   0.02) =  47.179%  kept
          HE3   TRP   27 - QB    LYS+  33  11.40 +/- 1.13  75.899% *  5.4417% (0.14   0.02   0.02) =  35.328%  kept
          HN    LYS+  66 - QB    LYS+  33  17.01 +/- 1.01   7.468% * 18.0271% (0.45   0.02   0.02) =  11.515%  kept
          HN    LYS+  81 - QB    LYS+  33  23.09 +/- 3.18   1.773% * 39.4132% (0.98   0.02   0.02) =   5.978%  kept
    Distance limit 3.61 A violated in 20 structures by 7.26 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 148.3:
      O   HN    LYS+  33 - QB    LYS+  33   2.48 +/- 0.28  99.981% * 99.9232% (0.97  10.0   5.72 148.26) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.69 +/- 0.51   0.018% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.95 +/- 0.94   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 = 0.917, support = 5.88, residual support = 42.6:
          HN    ALA   34 - QB    LYS+  33   2.86 +/- 0.21  95.377% * 68.0899% (0.92   5.92  43.31) =  97.809%  kept
          HN    GLN   32 - QB    LYS+  33   4.88 +/- 0.29   4.621% * 31.4816% (0.65   3.91  11.03) =   2.191%  kept
          HN    LEU   80 - QB    LYS+  33  20.78 +/- 2.48   0.001% *  0.2081% (0.84   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.19 +/- 1.43   0.000% *  0.1511% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  25.00 +/- 2.92   0.000% *  0.0693% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.413, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  12.56 +/- 1.01  73.907% *  8.4971% (0.20   0.02   0.02) =  48.197%  kept
          HN    ILE  103 - QB    LYS+  33  15.66 +/- 0.80  21.860% * 24.3087% (0.57   0.02   0.02) =  40.783%  kept
          HN    SER   82 - QB    LYS+  33  23.13 +/- 3.32   2.994% * 34.3809% (0.80   0.02   0.02) =   7.900%  kept
          HN    GLN   90 - QB    LYS+  33  25.20 +/- 2.09   1.239% * 32.8133% (0.76   0.02   0.02) =   3.120%  kept
    Distance limit 3.81 A violated in 20 structures by 8.09 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 = 148.2:
      O   HA    LYS+  33 - HG2   LYS+  33   3.31 +/- 0.54  87.134% * 98.3393% (0.53  10.0   5.39 148.26) =  99.982%  kept
          HB2   SER   37 - HG2   LYS+  33   6.89 +/- 1.54   8.192% *  0.1561% (0.84   1.0   0.02   0.02) =   0.015%
          HA    GLU-  29 - HG2   LYS+  33   7.01 +/- 1.36   1.430% *  0.0702% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - QG    LYS+  81   6.14 +/- 0.35   2.864% *  0.0249% (0.13   1.0   0.02  19.66) =   0.001%
          HA    VAL   70 - HG2   LYS+  33  11.18 +/- 1.98   0.272% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  13.72 +/- 1.78   0.043% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  13.92 +/- 0.75   0.021% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  16.66 +/- 2.08   0.013% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.63 +/- 1.06   0.007% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.87 +/- 1.22   0.002% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.35 +/- 1.07   0.004% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  24.83 +/- 5.79   0.004% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.50 +/- 3.57   0.003% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.78 +/- 0.92   0.002% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.13 +/- 1.34   0.001% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  27.29 +/- 1.78   0.000% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.92 +/- 0.99   0.001% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.36 +/- 1.61   0.002% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  25.28 +/- 4.44   0.001% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  25.80 +/- 1.48   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  25.90 +/- 1.32   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  26.65 +/- 3.00   0.001% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  28.30 +/- 2.39   0.000% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  25.31 +/- 0.83   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.7, residual support = 122.7:
        T QD1   ILE   56 - QG2   ILE   56   2.98 +/- 0.48  99.798% * 99.6085% (0.98 10.00   4.70 122.69) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  10.67 +/- 1.40   0.113% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  13.38 +/- 0.96   0.020% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.61 +/- 1.11   0.014% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  10.93 +/- 1.11   0.051% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.48 +/- 1.51   0.004% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   2.86 +/- 0.83  99.433% * 49.9558% (0.99 10.00   0.02   0.02) =  99.973%  kept
          HA    GLU- 114 - QG2   ILE   56   9.68 +/- 0.91   0.543% *  1.2568% (0.25  1.00   0.02   0.02) =   0.014%
        T HA    ILE   19 - QG2   ILE   56  14.35 +/- 1.29   0.015% * 42.0992% (0.84 10.00   0.02   0.02) =   0.013%
          HA    GLU-  25 - QG2   ILE   56  18.60 +/- 1.29   0.003% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG2   ILE   56  18.93 +/- 1.33   0.003% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  18.53 +/- 1.20   0.004% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 2 structures by 0.26 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 = 0.839, support = 2.95, residual support = 13.8:
          HA    PHE   55 - QG2   ILE   56   5.37 +/- 0.75  20.137% * 87.1804% (0.92   3.91  17.58) =  69.630%  kept
          HA    ALA  110 - QG2   ILE   56   4.57 +/- 2.22  65.172% * 11.7264% (0.65   0.75   5.27) =  30.312%  kept
          HA    THR   46 - QG2   ILE   56   5.46 +/- 1.25  14.387% *  0.0957% (0.20   0.02   0.02) =   0.055%
          HA    VAL   42 - QG2   ILE   56  10.93 +/- 1.09   0.148% *  0.3871% (0.80   0.02   0.02) =   0.002%
          HA    GLN   90 - QG2   ILE   56  11.87 +/- 1.14   0.088% *  0.3694% (0.76   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  12.66 +/- 1.27   0.067% *  0.1205% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  22.51 +/- 1.52   0.002% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.39 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  10.08 +/- 0.89 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 7.16 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 = 33.3:
          HN    ALA   57 - QG2   ILE   56   3.68 +/- 0.18  98.582% * 99.1190% (0.92   5.34  33.33) =  99.995%  kept
          HE21  GLN  116 - QG2   ILE   56   9.58 +/- 1.84   1.084% *  0.3490% (0.87   0.02   0.02) =   0.004%
          HN    ALA  120 - QG2   ILE   56  10.73 +/- 1.12   0.305% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  14.85 +/- 1.17   0.029% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.59, residual support = 122.7:
          HN    ILE   56 - QG2   ILE   56   2.79 +/- 0.41  88.440% * 98.5194% (0.65   6.59 122.69) =  99.986%  kept
          QE    PHE   60 - QG2   ILE   56   6.14 +/- 1.64  10.125% *  0.0914% (0.20   0.02   3.84) =   0.011%
          HN    LEU   63 - QG2   ILE   56   7.44 +/- 0.79   0.449% *  0.3530% (0.76   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QG2   ILE   56   6.26 +/- 1.06   0.976% *  0.1284% (0.28   0.02   2.22) =   0.001%
          HD21  ASN   28 - QG2   ILE   56  17.19 +/- 1.49   0.002% *  0.4264% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QG2   ILE   56  17.68 +/- 2.45   0.003% *  0.3530% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.36 +/- 1.21   0.005% *  0.1284% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.778, support = 1.18, residual support = 2.18:
        T HB    THR   39 - QB    ALA   34   4.66 +/- 0.75  35.002% * 84.0187% (0.80 10.00   1.13   2.21) =  84.441%  kept
          HB3   SER   37 - QB    ALA   34   4.31 +/- 0.40  47.643% *  9.1101% (0.69  1.00   1.44   2.19) =  12.463%  kept
          HA    GLN   30 - QB    ALA   34   5.07 +/- 0.38  17.264% *  6.2452% (0.44  1.00   1.55   1.15) =   3.096%  kept
          QB    SER   13 - QB    ALA   34  13.67 +/- 1.77   0.057% *  0.1531% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  20.61 +/- 3.87   0.007% *  0.1644% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.85 +/- 0.92   0.017% *  0.0623% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  20.85 +/- 2.44   0.004% *  0.1268% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.97 +/- 1.40   0.002% *  0.0939% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  20.32 +/- 1.13   0.004% *  0.0256% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.991, residual support = 5.29:
          HA    LEU   31 - QB    ALA   34   2.21 +/- 0.19 100.000% *100.0000% (0.65   0.99   5.29) = 100.000%  kept
    Distance limit 3.24 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 = 0.746, support = 2.94, residual support = 9.13:
        T QG1   VAL   41 - QB    ALA   34   2.24 +/- 0.29  95.178% * 89.7189% (0.75 10.00   2.96   9.17) =  99.577%  kept
          HG    LEU   31 - QB    ALA   34   4.44 +/- 0.66   3.983% *  9.0858% (0.83  1.00   1.83   5.29) =   0.422%
          QD2   LEU   73 - QB    ALA   34   5.45 +/- 0.83   0.649% *  0.0860% (0.72  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.72 +/- 0.62   0.178% *  0.0695% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.73 +/- 0.59   0.009% *  0.4416% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  16.14 +/- 0.85   0.001% *  0.5651% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.71 +/- 0.79   0.002% *  0.0332% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.04 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   2.94 +/- 0.04  99.938% * 98.6070% (0.62   3.33  18.78) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.29 +/- 0.55   0.058% *  0.2662% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  17.66 +/- 1.78   0.003% *  0.8606% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.54 +/- 0.71   0.001% *  0.2662% (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 = 3.71, residual support = 25.5:
      O   HN    ALA   34 - QB    ALA   34   1.98 +/- 0.04  99.996% * 99.6936% (0.58  10.0   3.71  25.50) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.81 +/- 0.22   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  18.86 +/- 2.54   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.50 +/- 1.17   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 = 3.52, residual support = 25.5:
      O   HN    ALA   34 - HA    ALA   34   2.77 +/- 0.03  99.566% * 99.6949% (0.87  10.0   3.52  25.50) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.86 +/- 0.12   0.433% *  0.0287% (0.25   1.0   0.02   0.10) =   0.000%
          HN    LEU   80 - HA    ALA   34  24.24 +/- 2.86   0.000% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.20 +/- 1.39   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.92 +/- 2.61   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  25.98 +/- 1.09   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  33.88 +/- 2.36   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.39 +/- 2.37   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.892, support = 1.5, residual support = 2.19:
          HB3   SER   37 - HA    ALA   34   2.70 +/- 0.48  85.342% * 40.6360% (0.89   1.39   2.19) =  81.151%  kept
          HB    THR   39 - HA    ALA   34   4.23 +/- 0.69  14.301% * 56.3217% (0.88   1.96   2.21) =  18.848%  kept
          HA    GLN   30 - HA    ALA   34   6.81 +/- 0.50   0.342% *  0.1027% (0.16   0.02   1.15) =   0.001%
          QB    SER   13 - HA    ALA   34  14.96 +/- 2.19   0.005% *  0.5658% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  12.88 +/- 0.50   0.007% *  0.1029% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.21 +/- 1.01   0.001% *  0.4481% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.81 +/- 2.98   0.001% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  27.04 +/- 2.91   0.000% *  0.5850% (0.89   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  26.55 +/- 4.36   0.000% *  0.4257% (0.65   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.90 +/- 3.02   0.000% *  0.1343% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  23.67 +/- 2.30   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.29 +/- 1.63   0.000% *  0.1305% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  33.04 +/- 2.00   0.000% *  0.1343% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.58 +/- 2.34   0.000% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  28.72 +/- 1.31   0.000% *  0.0300% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  37.86 +/- 4.57   0.000% *  0.0977% (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 = 55.6:
      O T HA    ASN   35 - HB2   ASN   35   2.75 +/- 0.07  99.907% * 97.5620% (0.90  10.0 10.00   4.04  55.59) = 100.000%  kept
        T HA    LEU   40 - HB2   ASN   35  10.52 +/- 0.96   0.037% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.80 +/- 1.35   0.038% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  13.12 +/- 0.42   0.009% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.69 +/- 0.63   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  18.80 +/- 1.16   0.001% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  20.04 +/- 0.59   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.46 +/- 0.97   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  24.07 +/- 2.81   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.97 +/- 2.27   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.83 +/- 1.63   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  22.59 +/- 2.26   0.000% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.04 +/- 0.84   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  28.56 +/- 1.31   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.02 +/- 2.25   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.59 +/- 0.57   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  32.09 +/- 1.52   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.49 +/- 0.87   0.000% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.9, residual support = 55.6:
      O   HN    ASN   35 - HB2   ASN   35   2.62 +/- 0.56  99.944% * 99.6071% (0.57  10.0   5.90  55.59) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.93 +/- 1.48   0.015% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.94 +/- 0.34   0.034% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.38 +/- 3.66   0.001% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.81 +/- 1.07   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  20.08 +/- 1.96   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.05 +/- 2.84   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  21.12 +/- 1.88   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  23.54 +/- 2.58   0.000% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  25.40 +/- 2.79   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.61, residual support = 55.6:
      O   HD21  ASN   35 - HB2   ASN   35   2.70 +/- 0.44  99.882% * 99.7208% (1.00  10.0   3.61  55.59) = 100.000%  kept
          HD2   HIS   22 - HB2   ASN   28   9.97 +/- 0.91   0.067% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   ASN   28  11.27 +/- 1.21   0.046% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.53 +/- 1.55   0.002% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.44 +/- 1.01   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.18 +/- 1.56   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.39 +/- 0.67   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  24.37 +/- 2.77   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  33.28 +/- 1.63   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  33.51 +/- 3.19   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.93, support = 2.2, residual support = 7.3:
        T HA    GLN   32 - HB2   ASN   35   3.61 +/- 0.77  60.796% * 74.0291% (0.99 10.00   2.06   5.85) =  92.818%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.99 +/- 0.17  33.669% *  7.9253% (0.11 10.00   4.69  33.63) =   5.503%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.47 +/- 0.19   4.887% * 16.6286% (0.22 10.00   2.02   1.47) =   1.676%  kept
        T HA    GLN   32 - HB2   ASN   28   8.62 +/- 0.44   0.343% *  0.2303% (0.31 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASN   35   9.08 +/- 0.94   0.197% *  0.2548% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  11.31 +/- 0.37   0.064% *  0.0517% (0.07 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  23.08 +/- 1.28   0.001% *  0.3349% (0.45 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  17.49 +/- 5.33   0.021% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.29 +/- 1.12   0.003% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.60 +/- 0.94   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.49 +/- 0.38   0.007% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  18.51 +/- 3.82   0.005% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  21.72 +/- 3.42   0.002% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  22.12 +/- 1.11   0.001% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  22.77 +/- 1.50   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  28.07 +/- 5.46   0.000% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  31.20 +/- 4.00   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  27.67 +/- 4.30   0.000% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.01 +/- 1.69   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  30.40 +/- 1.64   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  32.21 +/- 2.25   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  23.14 +/- 0.49   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.06 +/- 2.15   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.82 +/- 1.29   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 = 4.89, residual support = 52.2:
          QB    GLU-  36 - HB3   ASN   35   3.96 +/- 0.20  97.253% * 98.6201% (0.99   4.89  52.21) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.71 +/- 0.67   2.310% *  0.0712% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.64 +/- 0.52   0.294% *  0.3753% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  12.19 +/- 0.79   0.141% *  0.2302% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  25.50 +/- 2.90   0.002% *  0.3924% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  32.61 +/- 1.77   0.000% *  0.3107% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.806, support = 5.11, residual support = 47.8:
          QB    GLU-  36 - HB2   ASN   35   4.66 +/- 0.37  35.354% * 69.7076% (0.99  1.00   5.29  52.21) =  76.043%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.58 +/- 0.60  44.210% * 10.6353% (0.18  1.00   4.54  33.63) =  14.508%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.27 +/- 0.44  17.763% * 17.2267% (0.29  1.00   4.51  33.63) =   9.442%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.75 +/- 0.95   2.209% *  0.0466% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.81 +/- 0.85   0.222% *  0.2456% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  15.74 +/- 2.82   0.040% *  0.7986% (0.30 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  12.29 +/- 0.73   0.097% *  0.1506% (0.57  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   ASN   28  12.38 +/- 0.53   0.091% *  0.0820% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  23.62 +/- 1.72   0.002% *  0.6324% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  25.26 +/- 2.82   0.002% *  0.2567% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.70 +/- 0.61   0.010% *  0.0145% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  32.12 +/- 2.36   0.000% *  0.2033% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.567, support = 1.83, residual support = 5.04:
          HA    GLN   32 - HB3   ASN   35   3.44 +/- 0.43  86.155% * 36.3999% (0.49  1.00   1.92   5.85) =  81.668%  kept
          HA    LYS+  33 - HB3   ASN   35   4.92 +/- 0.43  13.527% * 52.0184% (0.92  1.00   1.45   1.47) =  18.325%  kept
          HA    GLU-  29 - HB3   ASN   35   9.01 +/- 0.55   0.276% *  0.7725% (0.99  1.00   0.02   0.02) =   0.006%
        T HA    VAL   18 - HB3   ASN   35  18.46 +/- 1.01   0.004% *  7.7769% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.27 +/- 0.84   0.037% *  0.5042% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  28.34 +/- 5.59   0.001% *  0.7777% (1.00  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.35 +/- 0.91   0.000% *  0.5042% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  30.78 +/- 1.11   0.000% *  0.5957% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  31.66 +/- 3.46   0.000% *  0.4101% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.69 +/- 1.67   0.000% *  0.2406% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.6:
      O   HA    ASN   35 - HB3   ASN   35   3.00 +/- 0.03  99.911% * 99.4336% (0.90  10.0   3.95  55.59) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  11.33 +/- 0.93   0.040% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.95 +/- 0.56   0.045% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  18.72 +/- 1.44   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  20.68 +/- 2.37   0.001% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.43 +/- 2.55   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.30 +/- 0.87   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.91 +/- 0.69   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.64 +/- 0.94   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 = 55.6:
      O   HD21  ASN   35 - HB3   ASN   35   2.51 +/- 0.34  99.998% * 99.8105% (1.00  10.0   3.26  55.59) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  17.46 +/- 1.29   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.64 +/- 0.92   0.000% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  33.70 +/- 1.46   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  33.97 +/- 2.61   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 52.2:
          HN    GLU-  36 - HB3   ASN   35   2.98 +/- 0.15  99.576% * 98.9717% (0.97   5.91  52.21) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   7.61 +/- 0.33   0.362% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  11.13 +/- 1.46   0.052% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.03 +/- 0.52   0.010% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  27.24 +/- 4.10   0.000% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 55.6:
      O   HN    ASN   35 - HB3   ASN   35   2.61 +/- 0.39 100.000% * 99.9102% (0.97  10.0   5.88  55.59) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  23.13 +/- 2.72   0.000% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.6:
      O   HD22  ASN   35 - HB3   ASN   35   3.62 +/- 0.16 100.000% *100.0000% (0.99  10.0   3.26  55.59) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 52.2:
          HN    GLU-  36 - HB2   ASN   35   3.53 +/- 0.14  98.480% * 98.9280% (0.92   6.05  52.21) =  99.997%  kept
          HN    THR   39 - HB2   ASN   35   7.58 +/- 0.42   1.179% *  0.1863% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   35  10.48 +/- 1.64   0.243% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  12.63 +/- 0.41   0.049% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.23 +/- 1.47   0.012% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  17.83 +/- 4.16   0.020% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.25 +/- 0.54   0.016% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  26.77 +/- 4.48   0.001% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.59, residual support = 86.9:
      O T HA    GLU-  36 - QB    GLU-  36   2.33 +/- 0.19  99.995% * 99.4140% (0.84  10.0 10.00   5.59  86.87) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.99 +/- 0.75   0.004% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.43 +/- 1.50   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  22.69 +/- 3.31   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  24.81 +/- 2.70   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  28.53 +/- 3.06   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.57 +/- 1.30   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  29.34 +/- 1.01   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.16 +/- 1.04   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.77 +/- 2.33   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.4:
          HN    SER   37 - QB    GLU-  36   3.56 +/- 0.20  85.402% * 95.6977% (0.45   3.72  19.39) =  99.953%  kept
          HN    LYS+  33 - QB    GLU-  36   5.09 +/- 0.31  10.593% *  0.3189% (0.28   0.02   0.02) =   0.041%
          HN    LYS+  33 - HB3   GLU-  29   6.21 +/- 0.60   3.773% *  0.0988% (0.09   0.02   0.02) =   0.005%
          HN    CYS   21 - HB3   GLU-  29  10.47 +/- 0.51   0.150% *  0.3430% (0.30   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    GLU-  36  15.55 +/- 0.51   0.013% *  1.1070% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.92 +/- 0.68   0.067% *  0.1593% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.46 +/- 1.11   0.001% *  0.9950% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  23.92 +/- 3.57   0.002% *  0.2299% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  28.74 +/- 3.03   0.000% *  0.7421% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.90 +/- 0.92   0.000% *  0.3083% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.9:
      O   HN    GLU-  36 - QB    GLU-  36   2.24 +/- 0.10  99.853% * 99.6455% (0.69  10.0   7.31  86.87) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.81 +/- 0.38   0.131% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  12.80 +/- 1.01   0.003% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.55 +/- 0.64   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.82 +/- 0.75   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  17.74 +/- 1.48   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.50 +/- 0.72   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  21.80 +/- 4.62   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  26.65 +/- 3.78   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.83 +/- 0.82   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 = 4.86, residual support = 86.9:
          HN    GLU-  36 - HG2   GLU-  36   3.68 +/- 0.44  99.965% * 98.4052% (0.28   4.86  86.87) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.61 +/- 1.07   0.032% *  0.6528% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.89 +/- 1.05   0.003% *  0.9420% (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 = 4.86, residual support = 86.9:
          HN    GLU-  36 - HG3   GLU-  36   3.42 +/- 0.65  98.829% * 98.8156% (0.69   4.86  86.87) =  99.998%  kept
          HN    THR   39 - HG3   GLU-  36   7.48 +/- 1.61   1.129% *  0.1646% (0.28   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HG3   GLU-  36  14.67 +/- 1.33   0.022% *  0.5134% (0.87   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  20.83 +/- 1.38   0.003% *  0.1476% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  19.56 +/- 3.03   0.007% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.95 +/- 2.40   0.008% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  30.05 +/- 4.19   0.000% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.74 +/- 2.24   0.001% *  0.0640% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.88 +/- 1.92   0.000% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  34.41 +/- 4.83   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.9:
      O   HN    GLU-  36 - HA    GLU-  36   2.88 +/- 0.00  99.985% * 99.6076% (0.28  10.0   6.06  86.87) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  12.92 +/- 1.04   0.014% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.68 +/- 0.84   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.72, residual support = 27.7:
      O   HN    SER   37 - HB2   SER   37   3.42 +/- 0.34  99.984% * 99.7690% (0.98  10.0   3.72  27.70) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  15.25 +/- 0.75   0.014% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.38 +/- 1.24   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  30.95 +/- 3.01   0.000% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.30 +/- 0.61  52.586% * 12.9780% (0.47   0.02   0.02) =  56.102%  kept
          HN    GLU-  29 - HB3   SER   37  12.72 +/- 0.54  14.648% * 22.4691% (0.82   0.02   0.02) =  27.056%  kept
          HN    VAL   18 - QB    SER   13  12.00 +/- 1.12  23.627% *  4.8772% (0.18   0.02   0.02) =   9.473%  kept
          HN    GLN   30 - QB    SER   13  17.26 +/- 2.28   3.349% *  9.9312% (0.36   0.02   0.02) =   2.734%  kept
          HN    GLU-  29 - QB    SER   13  19.15 +/- 2.33   1.683% * 17.1942% (0.63   0.02   0.02) =   2.379%  kept
          HN    VAL   18 - HB3   SER   37  16.04 +/- 1.08   3.923% *  6.3735% (0.23   0.02   0.02) =   2.055%  kept
          HN    ASP-  86 - HB3   SER   37  29.95 +/- 3.26   0.106% * 14.8290% (0.54   0.02   0.02) =   0.129%
          HN    ASP-  86 - QB    SER   13  31.42 +/- 3.05   0.077% * 11.3477% (0.41   0.02   0.02) =   0.071%
    Distance limit 3.79 A violated in 20 structures by 5.41 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 221.6:
      O   HN    LYS+  38 - HA    LYS+  38   2.23 +/- 0.04  96.359% * 99.8691% (0.92  10.0   6.55 221.56) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.13 +/- 0.06   2.368% *  0.0270% (0.25   1.0   0.02  18.05) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.06 +/- 1.09   1.079% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   6.65 +/- 1.02   0.171% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.66 +/- 0.55   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  10.29 +/- 1.33   0.014% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.09 +/- 0.70   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.24 +/- 0.79   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.07 +/- 0.82   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.60 +/- 0.69   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.2, residual support = 27.8:
      O   HN    THR   39 - HA    LYS+  38   3.14 +/- 0.26  81.195% * 99.6467% (0.92  10.0   6.20  27.84) =  99.995%  kept
          HN    GLU-  36 - HA    LYS+  38   5.52 +/- 0.18   2.997% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    THR   39 - HA    GLU- 100   4.89 +/- 1.04   8.410% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    LYS+  38   7.92 +/- 0.96   0.425% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    GLU- 100   4.92 +/- 0.23   6.320% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   7.57 +/- 1.12   0.641% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.29 +/- 0.54   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  28.37 +/- 3.69   0.000% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  15.54 +/- 1.31   0.006% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  26.50 +/- 3.07   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.49, residual support = 18.0:
          HN    SER   37 - HB2   LYS+  38   4.64 +/- 0.15  99.963% * 99.0683% (1.00   4.49  18.05) = 100.000%  kept
          HN    ILE  119 - HB2   LYS+  38  22.51 +/- 1.84   0.012% *  0.3541% (0.80   0.02   0.02) =   0.000%
          HN    CYS   21 - HB2   LYS+  38  19.15 +/- 0.86   0.024% *  0.1508% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   LYS+  38  33.01 +/- 3.15   0.001% *  0.4267% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 13 structures by 0.94 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.462, support = 5.39, residual support = 26.9:
          HN    THR   39 - HB2   LYS+  38   4.05 +/- 0.32  90.777% * 73.4697% (0.45   5.54  27.84) =  96.733%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.35 +/- 0.47   8.766% * 25.6624% (0.87   1.00   0.63) =   3.263%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.07 +/- 0.66   0.457% *  0.5800% (0.98   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB2   LYS+  38  30.74 +/- 3.86   0.001% *  0.2880% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 4 structures by 0.67 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.783, support = 5.81, residual support = 213.1:
          HN    LYS+  38 - HG2   LYS+  38   3.32 +/- 0.15  89.118% * 72.5151% (0.80   5.86 221.56) =  95.856%  kept
          HN    SER   37 - HG2   LYS+  38   4.77 +/- 0.14  10.283% * 27.1642% (0.38   4.68  18.05) =   4.143%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.33 +/- 0.86   0.462% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.08 +/- 0.86   0.136% *  0.0316% (0.10   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.30 +/- 1.36   0.000% *  0.1054% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  32.65 +/- 3.25   0.000% *  0.0688% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.50 +/- 0.70   0.000% *  0.0287% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  29.83 +/- 2.24   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.775, support = 5.52, residual support = 209.1:
          HN    LYS+  38 - HG3   LYS+  38   4.03 +/- 0.05  85.599% * 69.5160% (0.80   5.54 221.56) =  93.894%  kept
          HN    SER   37 - HG3   LYS+  38   5.56 +/- 0.18  12.791% * 30.2504% (0.38   5.14  18.05) =   6.106%  kept
          HN    LYS+  38 - HG3   LYS+  99   8.66 +/- 1.00   1.239% *  0.0262% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG3   LYS+  99  10.40 +/- 1.01   0.369% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.57 +/- 1.46   0.000% *  0.1069% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  33.14 +/- 3.03   0.000% *  0.0698% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.31 +/- 1.03   0.001% *  0.0112% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  29.74 +/- 2.62   0.001% *  0.0073% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.76, residual support = 39.7:
      O   HN    THR   39 - HA    THR   39   2.80 +/- 0.14  95.448% * 95.3030% (0.97  10.0   3.76  39.77) =  99.798%  kept
          HN    LYS+ 102 - HA    ILE  103   4.74 +/- 0.20   4.311% *  4.2729% (0.24   1.0   3.61  22.16) =   0.202%
          HN    GLU-  36 - HA    THR   39   8.39 +/- 0.57   0.134% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.21 +/- 0.59   0.085% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.54 +/- 0.53   0.013% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.45 +/- 0.85   0.004% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.42 +/- 1.09   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.73 +/- 1.07   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  22.15 +/- 2.96   0.001% *  0.0320% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  28.16 +/- 3.48   0.000% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  22.08 +/- 1.35   0.000% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  28.34 +/- 1.71   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 24.1:
      O   HN    LEU   40 - HA    THR   39   2.74 +/- 0.25  98.962% * 99.8247% (0.57  10.0   4.03  24.11) =  99.999%  kept
          HN    GLY  101 - HA    ILE  103   6.31 +/- 0.29   0.761% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   7.95 +/- 0.64   0.244% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.74 +/- 0.49   0.033% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.76, residual support = 39.8:
      O   HN    THR   39 - HB    THR   39   2.65 +/- 0.43  99.504% * 99.6727% (0.97  10.0   3.76  39.77) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   7.42 +/- 0.39   0.310% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  10.52 +/- 1.06   0.179% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.96 +/- 0.93   0.007% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  27.58 +/- 3.62   0.000% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  27.88 +/- 1.86   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 24.1:
          HN    LEU   40 - HB    THR   39   3.47 +/- 0.63  98.144% * 99.9088% (0.98   3.92  24.11) =  99.998%  kept
          HN    GLY  101 - HB    THR   39   9.10 +/- 1.12   1.856% *  0.0912% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.219, residual support = 0.219:
          HN    LEU   71 - QG2   THR   39   3.38 +/- 0.90  99.595% * 54.6003% (0.60   0.22   0.22) =  99.982%  kept
          HN    LEU   71 - QG2   THR   23  14.55 +/- 0.71   0.069% *  2.8017% (0.33   0.02   0.02) =   0.004%
          HN    GLU- 114 - QB    ALA   91  14.50 +/- 1.37   0.056% *  3.3643% (0.40   0.02   0.02) =   0.003%
          HN    PHE   60 - QB    ALA   91  12.38 +/- 1.08   0.108% *  1.1708% (0.14   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    ALA   91  15.42 +/- 1.61   0.036% *  2.8669% (0.34   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   THR   39  16.73 +/- 0.78   0.019% *  4.1151% (0.49   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   39  15.45 +/- 0.69   0.023% *  2.4793% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  16.05 +/- 1.09   0.029% *  1.9432% (0.23   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  19.01 +/- 0.64   0.009% *  6.0711% (0.72   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   39  20.95 +/- 0.69   0.005% *  7.1245% (0.85   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  16.79 +/- 0.90   0.025% *  1.3913% (0.17   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  18.82 +/- 0.94   0.013% *  2.3577% (0.28   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   23  22.98 +/- 1.33   0.004% *  3.9979% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  22.52 +/- 1.30   0.004% *  3.4068% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  21.81 +/- 1.27   0.005% *  2.3091% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 2 structures by 0.31 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 = 3.9, residual support = 24.1:
          HN    LEU   40 - QG2   THR   39   2.67 +/- 0.62  99.996% * 99.4724% (0.66   3.90  24.11) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  16.81 +/- 0.86   0.003% *  0.2865% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.79 +/- 1.11   0.001% *  0.2411% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.59, support = 3.63, residual support = 16.3:
      O   HN    ALA   91 - QB    ALA   91   2.37 +/- 0.25  58.503% * 88.7221% (0.61  10.0   3.62  14.53) =  92.892%  kept
          HN    THR   39 - QG2   THR   39   2.67 +/- 0.57  38.217% * 10.3910% (0.38   1.0   3.76  39.77) =   7.107%  kept
          HN    TRP   27 - QG2   THR   23   4.59 +/- 0.91   2.403% *  0.0142% (0.10   1.0   0.02   0.51) =   0.001%
          HN    GLU-  36 - QG2   THR   39   6.21 +/- 1.02   0.204% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91   8.67 +/- 0.74   0.026% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  13.43 +/- 5.50   0.507% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.14 +/- 3.86   0.093% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   8.56 +/- 0.83   0.028% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  11.72 +/- 1.25   0.004% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  13.51 +/- 1.32   0.003% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.51 +/- 1.28   0.005% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  14.83 +/- 1.58   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  15.11 +/- 0.75   0.001% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  13.21 +/- 1.84   0.002% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.89 +/- 1.30   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  22.18 +/- 2.82   0.000% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.08 +/- 0.74   0.000% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.37 +/- 1.83   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.60 +/- 0.97   0.000% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.22 +/- 0.83   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.41 +/- 1.27   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.19 +/- 1.61   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.00 +/- 1.80   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  24.48 +/- 4.29   0.000% *  0.0172% (0.12   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   2.82 +/- 0.48  97.958% * 96.9905% (0.87   3.55  14.22) =  99.991%  kept
          HN    THR   46 - QB    ALA   91   6.76 +/- 0.89   1.228% *  0.6167% (0.98   0.02   0.02) =   0.008%
          HN    LYS+  74 - QG2   THR   23   7.38 +/- 0.77   0.569% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  12.50 +/- 1.01   0.021% *  0.5458% (0.87   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  12.82 +/- 1.86   0.053% *  0.2146% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.38 +/- 0.99   0.042% *  0.2577% (0.41   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23   9.86 +/- 0.99   0.103% *  0.0648% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.58 +/- 1.04   0.004% *  0.2912% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  13.81 +/- 1.72   0.016% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  17.87 +/- 1.95   0.003% *  0.1563% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  20.87 +/- 1.27   0.001% *  0.2577% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.12 +/- 0.57   0.001% *  0.1013% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.08 +/- 1.32   0.000% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  23.90 +/- 2.78   0.000% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  22.29 +/- 1.45   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 4.61, residual support = 64.5:
          HA    LEU   40 - QD2   LEU   40   2.29 +/- 0.39  44.075% * 62.9679% (0.61   6.06 101.43) =  58.334%  kept
          HA    LYS+  99 - QD2   LEU   40   2.22 +/- 0.66  55.898% * 35.4630% (0.80   2.58  12.77) =  41.666%  kept
          HA    LEU  123 - QD2   LEU   40  10.07 +/- 1.83   0.013% *  0.3396% (0.99   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU   40   9.01 +/- 0.78   0.010% *  0.3163% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.36 +/- 0.95   0.002% *  0.1409% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  14.95 +/- 0.78   0.001% *  0.3241% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.97 +/- 0.73   0.001% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.56 +/- 0.79   0.000% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  17.02 +/- 1.05   0.000% *  0.1409% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.981, support = 4.34, residual support = 100.1:
          HA    LEU   40 - QD1   LEU   40   3.71 +/- 0.38  70.036% * 94.0613% (0.99   4.39 101.43) =  98.485%  kept
          HA    LYS+  99 - QD1   LEU   40   4.42 +/- 0.63  27.438% *  3.6705% (0.31   0.55  12.77) =   1.506%  kept
          HA    LEU  123 - QD1   LEU   40   8.63 +/- 1.80   1.693% *  0.2620% (0.61   0.02   0.02) =   0.007%
          HA    GLU-  15 - QD1   LEU   40  10.72 +/- 0.84   0.166% *  0.3874% (0.90   0.02   0.02) =   0.001%
          HA    SER   37 - QD1   LEU   40  10.67 +/- 0.91   0.253% *  0.1333% (0.31   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.49 +/- 0.67   0.155% *  0.1937% (0.45   0.02   0.02) =   0.000%
          HA    GLN   17 - QD1   LEU   40  10.76 +/- 0.66   0.148% *  0.1333% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.22 +/- 0.54   0.041% *  0.3987% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.68 +/- 0.60   0.033% *  0.2103% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.70 +/- 0.97   0.015% *  0.3874% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.56 +/- 0.48   0.021% *  0.1621% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.682, support = 0.498, residual support = 0.651:
        T HB3   HIS  122 - QD1   LEU   40   5.44 +/- 1.37  69.420% * 95.9159% (0.69 10.00   0.50   0.66) =  98.661%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.00 +/- 2.54  26.466% *  3.3993% (0.34  1.00   0.36   0.02) =   1.333%  kept
          QE    LYS+  74 - QD1   LEU   40   9.99 +/- 0.92   3.874% *  0.0978% (0.18  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  78 - QD1   LEU   40  20.44 +/- 0.69   0.050% *  0.5009% (0.90  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD1   LEU   40  16.49 +/- 0.78   0.189% *  0.0862% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 14 structures by 1.36 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.907, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   8.80 +/- 1.11  40.028% * 27.6510% (1.00   0.02   0.02) =  44.406%  kept
          QD    PHE   59 - QD1   LEU   40   8.76 +/- 0.76  42.173% * 23.0961% (0.84   0.02   0.02) =  39.078%  kept
          HD1   TRP   27 - QD1   LEU   40  10.12 +/- 1.24  17.607% * 23.0961% (0.84   0.02   0.02) =  16.315%  kept
          HH2   TRP   49 - QD1   LEU   40  21.48 +/- 1.26   0.192% * 26.1568% (0.95   0.02   0.02) =   0.201%
    Distance limit 3.74 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.91, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.04 +/- 1.06  42.232% * 27.6510% (1.00   0.02   0.02) =  46.661%  kept
          HD1   TRP   27 - QD2   LEU   40   9.53 +/- 1.07  30.815% * 23.0961% (0.84   0.02   0.02) =  28.438%  kept
          QD    PHE   59 - QD2   LEU   40   9.91 +/- 0.79  26.739% * 23.0961% (0.84   0.02   0.02) =  24.677%  kept
          HH2   TRP   49 - QD2   LEU   40  21.95 +/- 1.58   0.214% * 26.1568% (0.95   0.02   0.02) =   0.224%
    Distance limit 3.55 A violated in 20 structures by 4.21 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.56, residual support = 20.1:
          HN    VAL   41 - QD2   LEU   40   2.44 +/- 0.68 100.000% *100.0000% (0.73   4.56  20.11) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.45, residual support = 9.49:
          HN    LEU   98 - QD2   LEU   40   2.78 +/- 0.46 100.000% *100.0000% (0.97   4.45   9.49) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 101.4:
      O   HN    LEU   40 - HB3   LEU   40   2.67 +/- 0.23  99.752% * 99.9683% (0.98  10.0   4.89 101.43) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.26 +/- 1.00   0.247% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.69 +/- 1.01   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.32 +/- 1.05   0.001% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.71, residual support = 101.4:
      O   HN    LEU   40 - HB2   LEU   40   2.55 +/- 0.26  99.831% * 99.9908% (0.76  10.0   4.71 101.43) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.06 +/- 1.05   0.169% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 35.2:
          QG2   VAL   70 - HB2   LEU   40   3.04 +/- 0.57  67.876% * 99.9538% (0.80   3.99  35.25) =  99.978%  kept
          QG2   VAL   70 - HB2   LEU   67   3.72 +/- 0.76  32.124% *  0.0462% (0.07   0.02   0.41) =   0.022%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.2:
        T QG2   VAL   70 - HB3   LEU   40   2.18 +/- 0.62  99.989% * 99.8828% (0.98 10.00   3.99  35.25) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.31 +/- 0.82   0.011% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.231, support = 4.85, residual support = 94.6:
      O T HA    LEU   40 - HG    LEU   40   3.04 +/- 0.37  63.273% * 67.3272% (0.18  10.0 10.00   5.18 101.43) =  92.413%  kept
          HA    LYS+  99 - HG    LEU   40   3.85 +/- 0.90  21.701% * 13.5912% (0.98   1.0  1.00   0.72  12.77) =   6.398%  kept
          HA    ASP- 113 - HG    LEU  115   5.97 +/- 1.42   4.772% * 11.1226% (0.53   1.0  1.00   1.08   0.02) =   1.151%  kept
          HA    ILE   56 - HG    LEU  115   5.29 +/- 1.13   6.173% *  0.1931% (0.50   1.0  1.00   0.02   0.34) =   0.026%
          HA    PHE   59 - HG    LEU  115   5.69 +/- 1.18   3.297% *  0.0759% (0.20   1.0  1.00   0.02  29.65) =   0.005%
          HA    LEU  123 - HG    LEU   40  11.57 +/- 2.49   0.585% *  0.2938% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - HG    LEU   40  11.17 +/- 0.84   0.028% *  3.4478% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  11.07 +/- 1.16   0.040% *  0.0703% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.55 +/- 0.95   0.010% *  0.1701% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.26 +/- 0.97   0.009% *  0.1311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.68 +/- 0.89   0.081% *  0.0126% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  13.18 +/- 1.01   0.012% *  0.0643% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.82 +/- 0.88   0.002% *  0.3335% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.76 +/- 1.09   0.002% *  0.3898% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.11 +/- 0.98   0.001% *  0.3549% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  26.51 +/- 1.27   0.000% *  1.9961% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  18.96 +/- 1.17   0.001% *  0.2182% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  16.97 +/- 1.11   0.003% *  0.0622% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.94 +/- 2.37   0.003% *  0.0548% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.58 +/- 1.18   0.005% *  0.0244% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  22.79 +/- 1.32   0.001% *  0.0662% (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 = 35.2:
        T QG2   VAL   70 - HG    LEU   40   3.21 +/- 0.59  98.300% * 99.2404% (0.98 10.00   5.89  35.25) =  99.997%  kept
        T QG2   VAL   70 - HG    LEU   73   6.90 +/- 0.66   1.663% *  0.1850% (0.18 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   70 - HG    LEU  115  13.04 +/- 1.14   0.037% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.2:
          QG2   VAL   70 - QD1   LEU   40   1.81 +/- 0.17 100.000% *100.0000% (0.80   3.47  35.25) = 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 = 35.2:
          QG2   VAL   70 - QD2   LEU   40   3.36 +/- 0.53 100.000% *100.0000% (0.53   4.47  35.25) = 100.000%  kept
    Distance limit 3.17 A violated in 1 structures by 0.33 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   9.35 +/- 0.80 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.57 A violated in 20 structures by 6.79 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.718, support = 4.46, residual support = 101.4:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  77.643% * 41.4375% (0.65  10.0 10.00   4.02 101.43) =  71.670%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.75 +/- 0.42  22.138% * 57.4464% (0.90  10.0  1.00   5.58 101.43) =  28.330%  kept
          HG    LEU   67 - QD2   LEU   40   7.33 +/- 1.88   0.127% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   8.24 +/- 1.11   0.033% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   7.50 +/- 0.75   0.046% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.48 +/- 0.80   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.19 +/- 1.04   0.008% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.81 +/- 1.11   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.49 +/- 0.85   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 = 0.251, support = 2.31, residual support = 12.8:
        T HB2   LYS+  99 - QD2   LEU   40   3.23 +/- 0.79  45.645% * 55.3730% (0.28 10.00   2.58  12.77) =  51.322%  kept
        T HB3   LYS+  99 - QD2   LEU   40   3.13 +/- 0.89  54.066% * 44.3392% (0.22 10.00   2.03  12.77) =  48.677%  kept
          HB    VAL   43 - QD2   LEU   40   8.34 +/- 0.76   0.266% *  0.0747% (0.38  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  11.99 +/- 0.77   0.021% *  0.0307% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  20.25 +/- 1.95   0.001% *  0.1208% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  22.30 +/- 1.71   0.001% *  0.0615% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.295, support = 0.02, residual support = 0.56:
          HB2   HIS  122 - QD2   LEU   40   6.50 +/- 1.52  76.931% * 19.5836% (0.31   0.02   0.66) =  84.417%  kept
          HA    LEU   63 - QD2   LEU   40   8.68 +/- 0.70  22.150% * 11.1120% (0.18   0.02   0.02) =  13.791%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.62 +/- 0.62   0.517% * 35.9222% (0.57   0.02   0.02) =   1.040%  kept
          HB2   HIS   22 - QD2   LEU   40  17.20 +/- 1.12   0.402% * 33.3822% (0.53   0.02   0.02) =   0.752%  kept
    Distance limit 3.51 A violated in 19 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.66, residual support = 12.8:
          QE    LYS+  99 - QD2   LEU   40   2.94 +/- 0.80  99.305% * 98.4913% (0.69   3.66  12.77) =  99.995%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.03 +/- 0.85   0.445% *  0.7845% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  38 - QD2   LEU   40   9.06 +/- 0.82   0.251% *  0.7242% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.838, support = 0.754, residual support = 0.729:
        T HB3   PHE   97 - QD2   LEU   40   4.00 +/- 0.61  89.646% * 85.8938% (0.84 10.00   0.75   0.74) =  98.264%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.24 +/- 0.68  10.094% * 13.4729% (0.99  1.00   0.99   0.02) =   1.735%  kept
          QG    GLN   32 - QD2   LEU   40  12.20 +/- 0.73   0.157% *  0.0935% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.84 +/- 0.74   0.047% *  0.2594% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.41 +/- 0.92   0.037% *  0.1029% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.47 +/- 1.81   0.020% *  0.1774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 101.4:
      O T HB2   LEU   40 - QD1   LEU   40   2.61 +/- 0.39  95.229% * 99.2435% (0.84  10.0 10.00   4.44 101.43) =  99.977%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.02 +/- 1.15   4.468% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.023%
          HB3   MET   96 - QD1   LEU   40   8.66 +/- 0.92   0.227% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40   9.89 +/- 1.27   0.070% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  13.72 +/- 1.20   0.006% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.04 +/- 0.46   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 0.04 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.4, residual support = 101.4:
      O   HB2   LEU   40 - QD2   LEU   40   2.78 +/- 0.46  99.131% * 96.6350% (0.34  10.0  1.00   5.40 101.43) =  99.978%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.20 +/- 1.25   0.814% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.022%
          HB    VAL   18 - QD2   LEU   40  11.42 +/- 1.35   0.040% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.50 +/- 0.71   0.011% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.03 +/- 0.78   0.003% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.30 +/- 0.83   0.001% *  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 = 0.764, support = 4.47, residual support = 101.4:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.02  59.920% * 41.4524% (0.65  10.0  1.00   4.30 101.43) =  52.930%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.30 +/- 0.27  38.423% * 57.4671% (0.90  10.0 10.00   4.66 101.43) =  47.053%  kept
        T HG    LEU   67 - QD1   LEU   40   5.23 +/- 1.79   1.606% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU  115 - QD1   LEU   40  11.61 +/- 0.77   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.45 +/- 0.98   0.009% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.08 +/- 1.21   0.028% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.55 +/- 0.88   0.008% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.44 +/- 0.96   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.81 +/- 0.88   0.002% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.961, support = 4.44, residual support = 99.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.61 +/- 0.39  63.052% * 92.1745% (1.00  10.0 10.00   4.44 101.43) =  95.802%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.98 +/- 0.31  33.380% *  7.6201% (0.08  10.0  1.00   4.39  60.38) =   4.193%  kept
        T QD1   LEU   40 - HB2   LEU   67   5.02 +/- 1.15   2.987% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   67 - HB2   LEU   40   6.63 +/- 1.51   0.579% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  16.78 +/- 0.63   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.79 +/- 0.97   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.66, residual support = 101.4:
      O T QD1   LEU   40 - HB3   LEU   40   2.30 +/- 0.27  99.488% * 99.7412% (1.00  10.0 10.00   4.66 101.43) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   6.36 +/- 1.17   0.438% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.61 +/- 0.77   0.009% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.30 +/- 0.43   0.056% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.78 +/- 1.82   0.009% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.38 +/- 0.44   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 = 4.02, residual support = 101.4:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  95.962% * 96.1741% (0.87  10.0 10.00   4.02 101.43) =  99.991%  kept
        T QD1   LEU   67 - HG    LEU   40   5.95 +/- 1.86   0.886% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - HG    LEU  115   4.16 +/- 0.62   2.428% *  0.0112% (0.10   1.0  1.00   0.02   8.42) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.24 +/- 1.11   0.040% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.11 +/- 1.23   0.022% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.95 +/- 1.60   0.004% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.42 +/- 0.67   0.027% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   6.44 +/- 1.12   0.516% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.48 +/- 0.80   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.66 +/- 0.52   0.046% *  0.0179% (0.16   1.0  1.00   0.02   0.35) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.07 +/- 0.71   0.036% *  0.0194% (0.18   1.0  1.00   0.02   1.64) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.05 +/- 1.39   0.001% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.97 +/- 1.38   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.10 +/- 0.50   0.016% *  0.0125% (0.11   1.0  1.00   0.02  43.47) =   0.000%
          QD1   ILE  119 - HG    LEU   40  10.95 +/- 1.16   0.006% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.17 +/- 0.78   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.58 +/- 1.24   0.004% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  16.06 +/- 1.24   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  17.00 +/- 1.83   0.000% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.25 +/- 1.09   0.002% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.54 +/- 1.16   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 = 3.87, residual support = 73.0:
      O T QG2   VAL   41 - QG1   VAL   41   2.04 +/- 0.06  79.818% * 92.5225% (0.87  10.0 10.00   3.90  73.64) =  98.683%  kept
          QD2   LEU   98 - QG1   VAL   41   2.88 +/- 0.61  19.347% *  5.0858% (0.69   1.0  1.00   1.39  23.17) =   1.315%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.12 +/- 0.62   0.443% *  0.3292% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   6.83 +/- 0.75   0.080% *  0.2516% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   8.61 +/- 0.60   0.016% *  0.7071% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.37 +/- 0.44   0.040% *  0.2516% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.37 +/- 0.77   0.124% *  0.0394% (0.04   1.0 10.00   0.02   6.08) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.09 +/- 0.55   0.011% *  0.3292% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.69 +/- 0.66   0.035% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   8.88 +/- 0.62   0.014% *  0.0957% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   8.22 +/- 0.59   0.021% *  0.0497% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.63 +/- 1.06   0.005% *  0.0560% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.03 +/- 0.81   0.013% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  12.16 +/- 2.38   0.003% *  0.0560% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.32 +/- 0.84   0.024% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.58 +/- 0.76   0.005% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  15.62 +/- 4.13   0.001% *  0.0733% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  19.83 +/- 4.22   0.000% *  0.0394% (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 = 1.39, residual support = 9.17:
          QB    ALA   34 - QG2   VAL   41   2.53 +/- 0.55  99.641% * 83.1227% (0.18   1.39   9.17) =  99.991%  kept
          QG2   THR   23 - QG2   VAL   41   9.71 +/- 0.84   0.096% *  3.0550% (0.45   0.02   0.02) =   0.004%
          HG2   LYS+  99 - QG2   VAL   41   8.09 +/- 0.68   0.170% *  1.3485% (0.20   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QG2   VAL   41   8.92 +/- 0.64   0.073% *  1.8946% (0.28   0.02   0.02) =   0.002%
          QG2   THR   77 - QG2   VAL   41  12.32 +/- 0.64   0.016% *  6.4460% (0.95   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  17.64 +/- 2.26   0.003% *  4.1331% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.26, residual support = 23.1:
        T QB    LEU   98 - QG2   VAL   41   4.39 +/- 0.57  37.932% * 95.8151% (0.34 10.00   2.26  23.17) =  99.831%  kept
          HG    LEU   73 - QG2   VAL   41   4.05 +/- 0.62  57.440% *  0.0867% (0.31  1.00   0.02   0.02) =   0.137%
          HG12  ILE   19 - QG2   VAL   41   7.41 +/- 1.11   3.187% *  0.2803% (1.00  1.00   0.02   0.02) =   0.025%
          HB3   LEU   67 - QG2   VAL   41   8.98 +/- 0.63   0.584% *  0.1929% (0.69  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   80 - QG2   VAL   41  15.79 +/- 3.21   0.022% *  2.2492% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   41   9.87 +/- 0.59   0.289% *  0.1704% (0.61  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QG2   VAL   41  12.31 +/- 0.60   0.077% *  0.2346% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41  10.07 +/- 0.90   0.281% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  15.98 +/- 4.33   0.033% *  0.2711% (0.97  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.55 +/- 1.89   0.047% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.01 +/- 0.63   0.057% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.01 +/- 1.02   0.023% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.85 +/- 1.39   0.028% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 16 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    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  12.18 +/- 0.54 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.96 A violated in 20 structures by 9.22 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 73.6:
      O   HN    VAL   41 - HB    VAL   41   3.12 +/- 0.22 100.000% *100.0000% (0.47  10.0   4.37  73.64) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 2.61, residual support = 23.1:
          HN    LEU   98 - QG1   VAL   41   3.93 +/- 0.47  81.741% * 98.0516% (0.98   2.61  23.17) =  99.689%  kept
          HN    LEU   98 - QD2   LEU  104   5.57 +/- 0.87  18.147% *  1.3751% (0.05   0.68   6.08) =   0.310%
          HN    LEU   98 - QG2   VAL   18  11.66 +/- 0.88   0.112% *  0.5733% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.83 +/- 0.53  43.112% * 34.1212% (0.66   0.02   0.02) =  62.419%  kept
          QE    PHE   59 - HB    VAL   41  11.94 +/- 1.62  45.082% * 12.0603% (0.23   0.02   0.02) =  23.071%  kept
          HN    LYS+  66 - HB    VAL   41  15.09 +/- 0.62  10.531% * 29.5320% (0.57   0.02   0.02) =  13.196%  kept
          HN    LYS+  81 - HB    VAL   41  22.91 +/- 3.39   1.275% * 24.2865% (0.47   0.02   0.02) =   1.314%  kept
    Distance limit 3.63 A violated in 20 structures by 6.60 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 23.5:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.01  99.661% * 99.8070% (0.98  10.0   5.16  23.52) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   5.87 +/- 0.39   0.296% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   8.10 +/- 0.42   0.041% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.40 +/- 0.48   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 4.99, residual support = 39.5:
      O   HN    VAL   43 - HA    VAL   42   2.23 +/- 0.04 100.000% * 99.9765% (0.90  10.0   4.99  39.49) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.05 +/- 0.57   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.341, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.71 +/- 0.76  99.955% * 16.0745% (0.34   0.02   0.02) =  99.882%  kept
          QD1   ILE   89 - QG2   VAL   41  13.83 +/- 2.62   0.023% * 46.1912% (0.98   0.02   0.02) =   0.066%
          QG2   VAL   83 - QG2   VAL   41  13.14 +/- 2.20   0.022% * 37.7342% (0.80   0.02   0.02) =   0.052%
    Distance limit 2.95 A violated in 2 structures by 0.23 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 = 0.807, support = 0.0197, residual support = 21.8:
        T HB    VAL   41 - HB    VAL   42   5.99 +/- 0.21  45.341% * 26.8420% (0.84 10.00   0.02  23.52) =  92.291%  kept
          HB2   LEU   71 - HB    VAL   42   6.47 +/- 0.78  31.433% *  1.3538% (0.42  1.00   0.02   2.37) =   3.227%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.62 +/- 0.86   0.969% * 17.9927% (0.56 10.00   0.02   0.02) =   1.322%  kept
          QB    LYS+  66 - HB    VAL   42   9.20 +/- 1.21   4.625% *  2.7752% (0.87  1.00   0.02   0.02) =   0.973%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.33 +/- 1.59   6.930% *  1.7026% (0.53  1.00   0.02   0.02) =   0.895%  kept
          HB3   PRO   52 - HB2   LYS+ 112   9.11 +/- 1.36   5.278% *  1.1905% (0.37  1.00   0.02   0.02) =   0.476%
          HG12  ILE  103 - HB    VAL   42  10.30 +/- 0.96   2.192% *  2.4126% (0.75  1.00   0.02   0.02) =   0.401%
          QB    LYS+  65 - HB    VAL   42  10.69 +/- 0.66   1.470% *  1.4633% (0.46  1.00   0.02   0.02) =   0.163%
          HG    LEU  123 - HB    VAL   42  13.08 +/- 2.00   0.922% *  1.6870% (0.53  1.00   0.02   0.02) =   0.118%
          HG2   PRO   93 - HB    VAL   42  15.20 +/- 0.75   0.181% *  2.4126% (0.75  1.00   0.02   0.02) =   0.033%
          QB    LYS+  66 - HB2   LYS+ 112  15.54 +/- 1.37   0.168% *  1.9585% (0.61  1.00   0.02   0.02) =   0.025%
          HG    LEU  123 - HB2   LYS+ 112  14.77 +/- 1.25   0.232% *  1.1905% (0.37  1.00   0.02   0.02) =   0.021%
        T HB    VAL   41 - HB2   LYS+ 112  23.30 +/- 0.73   0.013% * 18.9430% (0.59 10.00   0.02   0.02) =   0.018%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.91 +/- 0.47   0.014% * 12.6979% (0.40 10.00   0.02   0.02) =   0.014%
          QB    LYS+  65 - HB2   LYS+ 112  15.80 +/- 1.07   0.142% *  1.0327% (0.32  1.00   0.02   0.02) =   0.011%
          HB3   PRO   52 - HB    VAL   42  18.21 +/- 1.44   0.064% *  1.6870% (0.53  1.00   0.02   0.02) =   0.008%
          HG12  ILE  103 - HB2   LYS+ 112  21.95 +/- 0.64   0.019% *  1.7026% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   LYS+ 112  24.78 +/- 0.78   0.009% *  0.9554% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 19 structures by 2.06 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.25, residual support = 86.4:
          HN    VAL   42 - QG2   VAL   42   2.83 +/- 0.44  92.236% * 76.8940% (0.64   5.34  88.36) =  97.775%  kept
          HN    LEU   73 - QG2   VAL   42   4.83 +/- 1.07   7.089% * 22.7548% (0.64   1.58   1.20) =   2.224%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.40 +/- 0.96   0.328% *  0.2881% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   7.25 +/- 1.06   0.348% *  0.0630% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.11, residual support = 39.5:
          HN    VAL   43 - QG2   VAL   42   3.92 +/- 0.18 100.000% *100.0000% (0.72   5.11  39.49) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.4:
      O T HA    VAL   42 - QG1   VAL   42   2.49 +/- 0.15  89.308% * 96.7288% (0.97  10.0 10.00   4.00  88.36) =  99.995%  kept
          HA    THR   46 - QB    ALA   47   3.84 +/- 0.08   7.046% *  0.0439% (0.44   1.0  1.00   0.02  12.63) =   0.004%
          HA    GLN   90 - QB    ALA   47   5.08 +/- 1.16   3.450% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   9.47 +/- 0.81   0.038% *  0.5867% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47   9.68 +/- 0.94   0.033% *  0.4729% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.53 +/- 0.46   0.004% *  0.5476% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.63 +/- 0.28   0.002% *  0.8353% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.54 +/- 0.27   0.031% *  0.0509% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.39 +/- 2.10   0.062% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  15.94 +/- 0.89   0.001% *  0.5067% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  10.83 +/- 1.68   0.020% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.99 +/- 0.76   0.003% *  0.0587% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.83 +/- 0.89   0.002% *  0.0363% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.80 +/- 0.78   0.000% *  0.0507% (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 = 0.88, support = 1.33, residual support = 2.64:
          QD    PHE   60 - QG1   VAL   42   4.71 +/- 0.65  42.932% * 88.3761% (0.93   1.43   2.88) =  91.599%  kept
          QE    PHE   59 - QG1   VAL   42   4.70 +/- 1.39  52.517% *  6.5407% (0.33   0.30   0.02) =   8.293%  kept
          HN    LYS+  66 - QG1   VAL   42   8.10 +/- 0.65   2.216% *  1.0709% (0.81   0.02   0.02) =   0.057%
          QD    PHE   60 - QB    ALA   47   8.46 +/- 0.57   1.505% *  1.0685% (0.80   0.02   0.02) =   0.039%
          HN    LYS+  81 - QB    ALA   47  10.42 +/- 0.92   0.481% *  0.7606% (0.57   0.02   0.02) =   0.009%
          QE    PHE   59 - QB    ALA   47  10.80 +/- 0.83   0.313% *  0.3777% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  66 - QB    ALA   47  17.04 +/- 0.76   0.020% *  0.9248% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   42  17.71 +/- 1.97   0.018% *  0.8807% (0.66   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 11 structures by 0.96 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.81, residual support = 75.8:
          HN    VAL   42 - QG1   VAL   42   3.73 +/- 0.12  50.448% * 83.7763% (0.77   5.46  88.36) =  85.547%  kept
          HN    LEU   73 - QG1   VAL   42   3.80 +/- 0.52  47.593% * 14.9966% (0.77   0.98   1.20) =  14.447%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.93 +/- 0.68   0.736% *  0.3069% (0.77   0.02   0.02) =   0.005%
          HN    ILE   19 - QG1   VAL   42   6.97 +/- 0.57   1.159% *  0.0671% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - QB    ALA   47  12.87 +/- 0.38   0.031% *  0.2650% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.55 +/- 0.22   0.010% *  0.2650% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.95 +/- 0.58   0.009% *  0.2650% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.67 +/- 0.65   0.015% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.11, residual support = 39.5:
          HN    VAL   43 - QG1   VAL   42   2.58 +/- 0.31  99.962% * 99.3924% (0.40   5.11  39.49) = 100.000%  kept
          HN    VAL   24 - QG1   VAL   42  11.16 +/- 1.01   0.018% *  0.1459% (0.15   0.02   0.02) =   0.000%
          HN    VAL   43 - QB    ALA   47  13.00 +/- 0.22   0.008% *  0.3357% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  12.45 +/- 0.92   0.012% *  0.1260% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   7.43 +/- 0.69  99.557% * 53.6601% (0.43   0.02   0.02) =  99.617%  kept
          HN    LEU  104 - QB    ALA   47  18.83 +/- 0.40   0.443% * 46.3399% (0.37   0.02   0.02) =   0.383%
    Distance limit 3.71 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.74, residual support = 14.6:
          HN    TRP   49 - QB    ALA   47   2.62 +/- 0.10  99.863% * 95.0728% (0.29   3.74  14.63) =  99.999%  kept
          HE22  GLN   30 - QG1   VAL   42   8.37 +/- 0.53   0.101% *  0.9154% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42  10.34 +/- 0.89   0.032% *  1.0529% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    ALA   47  16.86 +/- 0.68   0.001% *  1.1951% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.42 +/- 0.34   0.002% *  0.3891% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.73 +/- 0.71   0.000% *  1.3747% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.391, support = 2.35, residual support = 10.9:
      O   HN    ALA   47 - QB    ALA   47   2.28 +/- 0.09  92.566% * 93.4110% (0.39  10.0   2.36  10.99) =  99.464%  kept
          QD    PHE   95 - QG1   VAL   42   3.96 +/- 0.81   7.396% *  6.2982% (0.70   1.0   0.75   1.48) =   0.536%  kept
          QD    PHE   95 - QB    ALA   47   8.83 +/- 0.58   0.032% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.42 +/- 0.26   0.006% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.604, support = 3.55, residual support = 29.9:
          HB    VAL   42 - QG1   VAL   43   5.33 +/- 0.66   7.956% * 66.1016% (0.62  1.00   4.73  39.49) =  67.534%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.04 +/- 0.73  54.310% *  3.1110% (0.69 10.00   0.02   8.34) =  21.698%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.60 +/- 0.61   2.685% * 27.7868% (0.34  1.00   3.64  15.32) =   9.583%  kept
          HG    LEU   98 - QG1   VAL   43   4.79 +/- 1.31  33.427% *  0.2633% (0.58  1.00   0.02   0.02) =   1.130%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.31 +/- 0.79   0.651% *  0.3851% (0.85  1.00   0.02   0.02) =   0.032%
          HB3   PRO   93 - QG1   VAL   43  10.47 +/- 0.88   0.145% *  0.3260% (0.72  1.00   0.02   0.02) =   0.006%
          HB3   LEU   80 - QG1   VAL   43  12.96 +/- 4.12   0.355% *  0.0806% (0.18  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QG1   VAL   43  10.99 +/- 0.97   0.101% *  0.2469% (0.54  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43   9.66 +/- 0.58   0.200% *  0.1132% (0.25  1.00   0.02   0.02) =   0.003%
          QB    ALA   84 - QG1   VAL   43  12.42 +/- 1.79   0.070% *  0.3111% (0.69  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QG1   VAL   43  11.98 +/- 0.96   0.059% *  0.3260% (0.72  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.86 +/- 0.98   0.015% *  0.2796% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.44 +/- 0.98   0.012% *  0.2142% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.04 +/- 0.77   0.007% *  0.3531% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  17.51 +/- 1.40   0.006% *  0.1015% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.277, support = 1.99, residual support = 9.32:
        T HH2   TRP   27 - QG1   VAL   43   3.14 +/- 0.54  64.621% * 50.0429% (0.31 10.00   1.46   9.32) =  64.660%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.58 +/- 0.87  35.379% * 49.9571% (0.22 10.00   2.96   9.32) =  35.340%  kept
    Distance limit 2.91 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.22, residual support = 60.6:
          HN    VAL   43 - QG1   VAL   43   2.50 +/- 0.49 100.000% *100.0000% (0.80   5.22  60.58) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.379, support = 3.61, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   3.02 +/- 0.39  79.654% * 80.3962% (0.39   3.71  15.32) =  95.161%  kept
          HN    ASN   28 - QD2   LEU   31   4.13 +/- 0.78  18.116% * 17.9180% (0.18   1.77  18.07) =   4.824%  kept
          HN    ASN   28 - QG2   VAL   43   6.87 +/- 0.84   1.131% *  0.7069% (0.63   0.02   0.02) =   0.012%
          HN    GLU-  25 - QG2   VAL   43   7.55 +/- 0.93   0.386% *  0.4029% (0.36   0.02   0.02) =   0.002%
          HN    ASP-  44 - QD2   LEU   31   8.53 +/- 1.07   0.369% *  0.1244% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   7.75 +/- 0.78   0.318% *  0.1156% (0.10   0.02   0.02) =   0.001%
          HN    ASN   69 - QG2   VAL   43  14.07 +/- 0.69   0.011% *  0.2612% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.45 +/- 0.84   0.014% *  0.0749% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.22, residual support = 60.6:
      O   HN    VAL   43 - HB    VAL   43   2.78 +/- 0.32 100.000% *100.0000% (0.87  10.0   4.22  60.58) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.01 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   3.56 +/- 0.35 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.4, residual support = 20.3:
        T QD    PHE   45 - HB3   ASP-  44   4.38 +/- 0.06 100.000% *100.0000% (0.80 10.00   4.40  20.26) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.61 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.73, residual support = 38.1:
      O   HN    ASP-  44 - HB3   ASP-  44   3.51 +/- 0.43  99.951% * 99.8560% (0.98  10.0   3.73  38.09) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  14.17 +/- 1.14   0.025% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.24 +/- 0.85   0.024% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.0, residual support = 6.0:
          HA    LYS+  74 - HB2   ASP-  44   3.68 +/- 0.29  99.869% * 92.0161% (0.92  1.00   2.00   6.00) =  99.989%  kept
        T HA    MET   92 - HB2   ASP-  44  11.50 +/- 0.67   0.131% *  7.9839% (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 = 3.12, residual support = 38.1:
      O   HN    ASP-  44 - HB2   ASP-  44   2.81 +/- 0.40  99.978% * 99.8560% (0.98  10.0   3.12  38.09) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  13.54 +/- 0.61   0.012% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.52 +/- 0.62   0.010% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.89, residual support = 29.7:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.905% * 81.9551% (0.80  10.0   3.76  38.09) =  53.196%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.31 +/- 0.02  80.075% * 17.9245% (0.18  10.0   4.04  20.26) =  46.804%  kept
          HN    ALA  110 - HA    ASP-  44  10.10 +/- 1.91   0.018% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  13.34 +/- 0.77   0.002% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 4.65:
          HA    PHE   95 - HA    ASP-  44   2.76 +/- 0.53 100.000% *100.0000% (0.87   2.00   4.65) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   3.36 +/- 0.90  98.281% * 98.9931% (0.65 10.00   2.96  27.19) =  99.998%  kept
          QB    SER   48 - HB2   PHE   45  10.09 +/- 0.85   0.692% *  0.1169% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PHE   45  14.19 +/- 2.43   0.201% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.39 +/- 1.57   0.393% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  13.37 +/- 1.84   0.334% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.67 +/- 1.02   0.060% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  17.99 +/- 0.76   0.008% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.28 +/- 0.60   0.004% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  20.03 +/- 0.99   0.004% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.53 +/- 1.57   0.015% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  20.25 +/- 1.03   0.004% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.29 +/- 1.13   0.004% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.447, support = 1.83, residual support = 8.69:
          QG2   THR   77 - HB2   PHE   45   4.50 +/- 1.20  84.656% * 94.3256% (0.45   1.83   8.71) =  99.788%  kept
          QG2   ILE   56 - HB2   PHE   45   7.14 +/- 1.41  12.817% *  1.0285% (0.45   0.02   0.02) =   0.165%
          QG2   THR   23 - HB2   PHE   45  10.66 +/- 1.18   1.500% *  2.1701% (0.95   0.02   0.02) =   0.041%
          QB    ALA   88 - HB2   PHE   45  11.73 +/- 1.59   0.862% *  0.3540% (0.15   0.02   0.02) =   0.004%
          QB    ALA   34 - HB2   PHE   45  14.82 +/- 0.74   0.157% *  1.4840% (0.65   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HB2   PHE   45  24.62 +/- 1.40   0.008% *  0.6378% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 9 structures by 0.99 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 4.64:
        T QG2   ILE   89 - HB2   PHE   45   6.47 +/- 1.84  78.748% * 93.0844% (1.00 10.00   0.02   4.69) =  98.544%  kept
          QG1   VAL   83 - HB2   PHE   45   9.96 +/- 2.80  20.168% *  5.2817% (0.57  1.00   0.02   1.48) =   1.432%  kept
          QD1   LEU  104 - HB2   PHE   45  15.77 +/- 0.93   1.085% *  1.6338% (0.18  1.00   0.02   0.02) =   0.024%
    Distance limit 3.64 A violated in 18 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.7:
          QG2   THR   77 - HB3   PHE   45   3.56 +/- 1.10  98.276% * 96.7442% (0.87   2.25   8.71) =  99.990%  kept
          QB    ALA   88 - HB3   PHE   45  11.04 +/- 1.56   0.699% *  0.9826% (0.99   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HB3   PHE   45  14.51 +/- 1.90   0.490% *  0.3721% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   80 - HB3   PHE   45  10.61 +/- 3.44   0.508% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB3   PHE   45  17.45 +/- 1.21   0.017% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  21.29 +/- 0.60   0.007% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.88 +/- 0.93   0.003% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 5 structures by 0.52 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 4.69:
        T QG2   ILE   89 - HB3   PHE   45   5.61 +/- 1.85 100.000% *100.0000% (0.69 10.00   0.02   4.69) = 100.000%  kept
    Distance limit 3.51 A violated in 12 structures by 2.10 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.35, residual support = 81.0:
      O   QD    PHE   45 - HB2   PHE   45   2.64 +/- 0.12  99.996% * 99.6976% (0.65  10.0   4.35  80.97) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.66 +/- 0.90   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.50 +/- 1.85   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.02 +/- 2.27   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 = 3.68, residual support = 81.0:
      O   HN    PHE   45 - HB2   PHE   45   2.53 +/- 0.38  99.284% * 99.8082% (0.73  10.0   3.68  80.97) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.12 +/- 0.52   0.629% *  0.0306% (0.22   1.0   0.02  20.26) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.41 +/- 2.24   0.073% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  12.61 +/- 1.11   0.014% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 81.0:
      O   QD    PHE   45 - HB3   PHE   45   2.34 +/- 0.11  99.998% * 99.6976% (0.65  10.0   5.06  80.97) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.86 +/- 0.98   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.60 +/- 1.86   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.00 +/- 2.39   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 81.0:
      O   HN    PHE   45 - HB3   PHE   45   3.48 +/- 0.33  97.386% * 99.8082% (0.73  10.0   4.01  80.97) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.61 +/- 0.21   2.292% *  0.0306% (0.22   1.0   0.02  20.26) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.33 +/- 2.08   0.247% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  12.00 +/- 0.92   0.075% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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   3.94 +/- 1.66 100.000% *100.0000% (0.41   1.21   3.94) = 100.000%  kept
    Distance limit 3.30 A violated in 10 structures by 1.13 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   2.43 +/- 0.35  99.537% * 97.6984% (0.76   3.39  34.50) =  99.997%  kept
          HN    LYS+  74 - QG2   THR   46   7.01 +/- 0.80   0.257% *  0.7550% (1.00   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   46   7.90 +/- 1.28   0.193% *  0.4275% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  12.67 +/- 1.56   0.013% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  25.31 +/- 1.32   0.000% *  0.6307% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.6:
          HN    ALA   47 - QG2   THR   46   3.69 +/- 0.34  88.020% * 97.9532% (0.25   3.21  12.63) =  99.716%  kept
          QD    PHE   95 - QG2   THR   46   6.40 +/- 1.56  11.980% *  2.0468% (0.84   0.02   0.02) =   0.284%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.294, support = 0.615, residual support = 0.279:
          QB    CYS   50 - QG2   THR   46   5.05 +/- 0.88  16.908% * 75.7097% (0.31   0.99   0.51) =  52.679%  kept
          QE    LYS+  74 - QG2   THR   46   3.24 +/- 0.86  82.788% * 13.8749% (0.28   0.20   0.02) =  47.271%  kept
          HB2   PHE   72 - QG2   THR   46   9.27 +/- 1.19   0.209% *  4.9586% (1.00   0.02   0.02) =   0.043%
          HA    ALA   64 - QG2   THR   46  10.66 +/- 1.04   0.092% *  2.0431% (0.41   0.02   0.02) =   0.008%
          HB3   ASN   69 - QG2   THR   46  18.47 +/- 1.06   0.004% *  3.4137% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 1 structures by 0.14 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 = 9.42:
      O   HN    SER   48 - HA    SER   48   2.80 +/- 0.02  99.993% * 99.9333% (0.49  10.0   2.61   9.42) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.25 +/- 1.49   0.007% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.28 +/- 1.20   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 = 2.52, residual support = 9.42:
      O   HN    SER   48 - QB    SER   48   2.28 +/- 0.18  99.995% * 99.9496% (0.95  10.0   2.52   9.42) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.74 +/- 1.88   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.95 +/- 0.96   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.939, support = 3.98, residual support = 86.5:
      O   HN    TRP   49 - HB2   TRP   49   3.54 +/- 0.13  75.362% * 97.2602% (0.95  10.0   3.99  87.20) =  99.126%  kept
          HN    CYS   50 - HB2   TRP   49   4.28 +/- 0.27  24.637% *  2.6246% (0.15   1.0   3.31   2.51) =   0.874%  kept
          HE22  GLN   30 - HB2   TRP   49  25.27 +/- 0.86   0.001% *  0.0949% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.09 +/- 0.86   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.65, residual support = 87.2:
      O   HD1   TRP   49 - HB2   TRP   49   3.58 +/- 0.46  99.993% * 99.6923% (0.80  10.0   4.65  87.20) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  24.04 +/- 1.71   0.001% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.25 +/- 0.99   0.005% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.99 +/- 1.10   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  35.33 +/- 1.71   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 3.99, residual support = 87.2:
      O   HN    TRP   49 - HB3   TRP   49   3.15 +/- 0.22  89.945% * 99.8654% (0.79  10.0   3.99  87.20) =  99.998%  kept
          HN    CYS   50 - HB3   TRP   49   4.58 +/- 0.10  10.054% *  0.0163% (0.13   1.0   0.02   2.51) =   0.002%
          HE22  GLN   30 - HB3   TRP   49  24.94 +/- 1.04   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.19 +/- 1.13   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 4.65, residual support = 87.2:
      O   HD1   TRP   49 - HB3   TRP   49   3.09 +/- 0.48  99.994% * 99.6923% (0.67  10.0   4.65  87.20) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  23.29 +/- 2.03   0.001% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.60 +/- 1.24   0.004% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.18 +/- 1.12   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  35.13 +/- 1.65   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 1.39:
          HB2   PRO   52 - HB3   TRP   49  11.09 +/- 1.36  96.623% * 45.9163% (0.72   0.02   1.42) =  97.643%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.90 +/- 0.84   2.106% * 45.9163% (0.72   0.02   0.02) =   2.129%  kept
          HG2   MET   96 - HB3   TRP   49  23.54 +/- 0.76   1.271% *  8.1674% (0.13   0.02   0.02) =   0.228%
    Distance limit 3.81 A violated in 20 structures by 7.24 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.462, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.95 +/- 0.48  42.123% * 16.1708% (0.47   0.02   0.02) =  43.889%  kept
          QG    GLU-  79 - HB3   TRP   49  13.07 +/- 1.70  41.835% * 13.9029% (0.41   0.02   0.02) =  37.475%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.25 +/- 1.76  12.544% * 16.1708% (0.47   0.02   0.02) =  13.070%  kept
          HB    VAL  107 - HB3   TRP   49  20.28 +/- 0.49   2.924% * 27.0190% (0.79   0.02   0.02) =   5.090%  kept
          QG    GLN   32 - HB3   TRP   49  30.19 +/- 1.74   0.272% * 22.8711% (0.67   0.02   0.02) =   0.401%
          HG2   GLU-  29 - HB3   TRP   49  29.62 +/- 1.22   0.302% *  3.8655% (0.11   0.02   0.02) =   0.075%
    Distance limit 3.87 A violated in 20 structures by 7.24 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.58, residual support = 6.95:
          QB    ALA   47 - QB    CYS   50   2.96 +/- 0.84  99.808% * 98.8075% (0.65   3.58   6.95) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.84 +/- 1.05   0.091% *  0.5527% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  12.21 +/- 0.71   0.044% *  0.4495% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.23 +/- 2.04   0.058% *  0.1902% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 8.11:
        T HB2   CYS   53 - QB    CYS   50   2.74 +/- 0.78  91.810% * 89.6201% (1.00 10.00   1.50   8.19) =  99.024%  kept
          HD3   PRO   52 - QB    CYS   50   4.89 +/- 0.99   8.027% * 10.1048% (0.73  1.00   2.32   0.02) =   0.976%  kept
          HD2   PRO   58 - QB    CYS   50   8.99 +/- 0.84   0.150% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  14.96 +/- 1.73   0.007% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.24 +/- 1.80   0.005% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  22.51 +/- 1.11   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.46 +/- 1.14   0.000% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.45, residual support = 7.26:
      O   HN    CYS   50 - QB    CYS   50   2.78 +/- 0.41  93.366% * 87.6693% (0.80  10.0   1.44   7.30) =  99.019%  kept
          HN    TRP   49 - QB    CYS   50   4.36 +/- 0.50   6.626% * 12.2411% (0.65   1.0   2.50   2.51) =   0.981%  kept
          HN    VAL   83 - QB    CYS   50  14.23 +/- 1.41   0.007% *  0.0517% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  19.01 +/- 1.06   0.001% *  0.0378% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.990% * 97.0144% (0.87  10.0 10.00   2.81  10.06) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.47 +/- 0.83   0.009% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.10 +/- 1.31   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.73 +/- 1.14   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.53 +/- 1.19   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.81 +/- 0.76   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.07 +/- 1.07   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.40 +/- 0.73   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.26 +/- 0.99   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  25.50 +/- 1.04   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 = 0.963, support = 1.82, residual support = 17.1:
          QB    PHE   55 - HB2   PRO   52   4.51 +/- 0.47  49.541% * 10.6185% (0.92   0.66   0.50) =  36.150%  kept
          HD3   PRO   93 - HB2   PRO   52   5.09 +/- 2.04  43.401% * 10.9747% (0.98   0.64   0.44) =  32.732%  kept
          HB3   CYS   53 - HB2   PRO   52   6.11 +/- 0.85   5.883% * 76.9198% (0.99   4.42  53.82) =  31.095%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.26 +/- 0.77   0.788% *  0.3388% (0.97   0.02   1.76) =   0.018%
          HB2   PHE   59 - HB2   PRO   52  10.58 +/- 1.24   0.254% *  0.2411% (0.69   0.02   0.02) =   0.004%
          HD3   PRO   93 - HG2   MET   96  14.61 +/- 0.68   0.038% *  0.1011% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.19 +/- 0.98   0.046% *  0.0708% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.49 +/- 0.83   0.018% *  0.1022% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.84 +/- 0.87   0.015% *  0.0952% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.88 +/- 1.47   0.012% *  0.0995% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.88 +/- 1.37   0.001% *  0.3388% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.41 +/- 1.10   0.002% *  0.0995% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.409, support = 0.955, residual support = 4.72:
        T HD3   PRO   93 - HB3   PRO   52   4.57 +/- 1.43  48.391% * 60.7001% (0.41 10.00   0.63   0.44) =  82.762%  kept
          QB    PHE   55 - HB3   PRO   52   4.45 +/- 0.48  40.487% *  8.0835% (0.53  1.00   0.65   0.50) =   9.221%  kept
          HB3   CYS   53 - HB3   PRO   52   5.46 +/- 0.54  10.305% * 27.5581% (0.25  1.00   4.69  53.82) =   8.002%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.34 +/- 0.66   0.410% *  0.9318% (0.20 10.00   0.02   1.76) =   0.011%
          HB2   PHE   59 - HB3   PRO   52   9.96 +/- 1.28   0.343% *  0.3770% (0.80  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HB3   PRO   52  24.21 +/- 1.33   0.001% *  2.1110% (0.45 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  19.39 +/- 2.44   0.008% *  0.1069% (0.02 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  15.24 +/- 0.93   0.022% *  0.0222% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  15.11 +/- 1.01   0.023% *  0.0135% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.32 +/- 1.01   0.007% *  0.0284% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.86 +/- 0.79   0.002% *  0.0433% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  29.05 +/- 1.54   0.000% *  0.0242% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.612, support = 0.265, residual support = 0.0288:
          HB3   LEU  115 - HB2   PRO   52  10.43 +/- 1.45   3.848% * 45.8842% (0.84   0.34   0.02) =  60.097%  kept
          QB    ALA  110 - HB2   PRO   52   4.41 +/- 2.48  81.896% *  0.9083% (0.28   0.02   0.02) =  25.322%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.17 +/- 1.13   1.265% * 25.2844% (0.29   0.53   0.10) =  10.890%  kept
          HG    LEU   73 - HG2   MET   96   9.81 +/- 1.83   4.137% *  0.9261% (0.28   0.02   0.02) =   1.304%  kept
          HG    LEU  115 - HB2   PRO   52  10.85 +/- 1.52   2.766% *  0.9083% (0.28   0.02   0.02) =   0.855%  kept
          HG    LEU   40 - HG2   MET   96   9.99 +/- 1.54   2.425% *  0.8016% (0.25   0.02   0.02) =   0.662%  kept
          QB    ALA   61 - HB2   PRO   52  12.37 +/- 0.77   0.479% *  1.5901% (0.49   0.02   0.02) =   0.259%
          HB3   LEU  115 - HG2   MET   96  12.61 +/- 0.75   0.581% *  0.8016% (0.25   0.02   0.02) =   0.159%
          QB    ALA  110 - HG2   MET   96  12.66 +/- 1.14   0.680% *  0.2668% (0.08   0.02   0.02) =   0.062%
          HG    LEU   67 - HG2   MET   96  15.05 +/- 1.72   0.217% *  0.6968% (0.21   0.02   0.02) =   0.051%
          HB3   LEU   67 - HG2   MET   96  14.58 +/- 1.04   0.192% *  0.6208% (0.19   0.02   0.02) =   0.041%
          QG    LYS+  66 - HB2   PRO   52  18.63 +/- 1.38   0.042% *  2.7287% (0.84   0.02   0.02) =   0.039%
          HG    LEU   73 - HB2   PRO   52  20.16 +/- 2.03   0.033% *  3.1527% (0.97   0.02   0.02) =   0.035%
          HG    LEU   80 - HG2   MET   96  19.43 +/- 6.22   0.336% *  0.2962% (0.09   0.02   0.02) =   0.034%
          QB    ALA  120 - HB2   PRO   52  16.84 +/- 1.24   0.106% *  0.9083% (0.28   0.02   0.02) =   0.033%
          HG    LEU  115 - HG2   MET   96  14.51 +/- 1.35   0.322% *  0.2668% (0.08   0.02   0.02) =   0.029%
          QG    LYS+  66 - HG2   MET   96  16.45 +/- 1.40   0.086% *  0.8016% (0.25   0.02   0.02) =   0.023%
          QB    ALA   61 - HG2   MET   96  15.19 +/- 0.52   0.134% *  0.4671% (0.14   0.02   0.02) =   0.021%
          HG    LEU   80 - HB2   PRO   52  20.39 +/- 3.09   0.061% *  1.0083% (0.31   0.02   0.02) =   0.021%
          QB    ALA  120 - HG2   MET   96  14.23 +/- 0.75   0.209% *  0.2668% (0.08   0.02   0.02) =   0.019%
          HG12  ILE   19 - HG2   MET   96  16.36 +/- 1.32   0.135% *  0.2137% (0.07   0.02   0.02) =   0.010%
          HB3   LEU   67 - HB2   PRO   52  22.73 +/- 1.74   0.013% *  2.1133% (0.65   0.02   0.02) =   0.010%
          HG    LEU   67 - HB2   PRO   52  22.59 +/- 1.46   0.012% *  2.3722% (0.73   0.02   0.02) =   0.010%
          HG    LEU   40 - HB2   PRO   52  23.29 +/- 2.02   0.010% *  2.7287% (0.84   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HB2   PRO   52  28.47 +/- 2.08   0.003% *  3.2595% (1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - HB2   PRO   52  23.84 +/- 1.80   0.012% *  0.7273% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 8 structures by 1.12 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 = 0.636, support = 0.0198, residual support = 0.314:
          HB3   PRO   93 - HD2   PRO   52   7.34 +/- 0.98  78.774% *  5.3763% (0.65  1.00   0.02   0.44) =  70.219%  kept
        T QB    ALA   88 - HD2   PRO   52  12.87 +/- 1.20   4.046% * 14.5547% (0.18 10.00   0.02   0.02) =   9.763%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.27 +/- 1.55   5.014% *  8.1462% (0.98  1.00   0.02   0.02) =   6.772%  kept
          QB    ALA   84 - HD2   PRO   52  11.57 +/- 1.34   6.487% *  5.7087% (0.69  1.00   0.02   0.02) =   6.140%  kept
          HG2   LYS+ 111 - HD2   PRO   52  12.75 +/- 1.54   3.460% *  6.9417% (0.84  1.00   0.02   0.02) =   3.982%  kept
          HB3   LEU   80 - HD2   PRO   52  16.44 +/- 1.99   0.950% *  8.1462% (0.98  1.00   0.02   0.02) =   1.283%  kept
          HB2   LEU   63 - HD2   PRO   52  16.15 +/- 1.09   0.758% *  8.3107% (1.00  1.00   0.02   0.02) =   1.044%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.83 +/- 1.29   0.220% * 12.8231% (0.15 10.00   0.02   0.02) =   0.467%
          QB    ALA  124 - HD2   PRO   52  22.74 +/- 0.96   0.120% *  7.4533% (0.90  1.00   0.02   0.02) =   0.149%
          HG    LEU   98 - HD2   PRO   52  22.55 +/- 2.20   0.101% *  6.6547% (0.80  1.00   0.02   0.02) =   0.112%
          HB2   LEU   31 - HD2   PRO   52  27.36 +/- 1.86   0.035% *  7.4533% (0.90  1.00   0.02   0.02) =   0.044%
          HG2   LYS+  99 - HD2   PRO   52  28.60 +/- 1.21   0.025% *  4.7052% (0.57  1.00   0.02   0.02) =   0.019%
          HG2   LYS+  38 - HD2   PRO   52  33.28 +/- 1.68   0.010% *  3.7260% (0.45  1.00   0.02   0.02) =   0.006%
    Distance limit 3.56 A violated in 20 structures by 3.48 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.46, residual support = 223.5:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.992% * 97.1447% (0.80  10.0 10.00   7.46 223.46) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.66 +/- 0.58   0.008% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.40 +/- 1.97   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  15.38 +/- 1.77   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.69 +/- 1.17   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.09 +/- 1.49   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.59 +/- 1.47   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.63 +/- 1.06   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.44 +/- 0.81   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.23 +/- 1.73   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  32.73 +/- 1.89   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  25.58 +/- 1.29   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  33.21 +/- 1.74   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 = 7.46, residual support = 223.5:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.418% * 98.5557% (0.87  10.0 10.00   7.46 223.46) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.28 +/- 0.42   0.580% *  0.0426% (0.38   1.0  1.00   0.02  53.82) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  19.30 +/- 2.04   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.90 +/- 1.61   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.12 +/- 1.06   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  27.09 +/- 1.60   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.42 +/- 1.45   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.76 +/- 1.40   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.45 +/- 1.69   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.3:
      O   HA1   GLY   51 - HD3   PRO   52   2.47 +/- 0.36  99.939% * 97.0168% (0.76  10.0  1.00   3.95  14.31) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.53 +/- 1.56   0.030% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.85 +/- 0.46   0.022% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.28 +/- 1.30   0.005% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  16.71 +/- 1.70   0.002% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  25.01 +/- 1.27   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.62 +/- 1.67   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.53 +/- 1.27   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.20 +/- 2.36   0.001% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.88 +/- 1.37   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.48 +/- 1.10   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.24, residual support = 14.3:
      O   HA1   GLY   51 - HD2   PRO   52   3.22 +/- 0.25  99.715% * 92.3448% (0.34  10.0  1.00   5.24  14.31) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52   9.39 +/- 1.24   0.232% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   85 - HD2   PRO   52  17.13 +/- 1.26   0.005% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  12.81 +/- 1.20   0.032% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.88 +/- 1.10   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.43 +/- 1.52   0.011% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  19.54 +/- 2.03   0.003% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.06 +/- 1.23   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.23 +/- 1.43   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.35 +/- 1.02   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.30 +/- 1.49   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.91 +/- 1.21   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.5:
      O   HG2   PRO   52 - HD3   PRO   52   2.67 +/- 0.30  98.780% * 99.6603% (0.90  10.0   6.60 223.46) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   7.35 +/- 2.30   1.208% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  14.09 +/- 1.41   0.006% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.92 +/- 0.36   0.004% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.02 +/- 1.60   0.002% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  26.29 +/- 1.35   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.93 +/- 2.20   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 = 223.5:
      O   HG3   PRO   52 - HD3   PRO   52   2.54 +/- 0.30  99.799% * 99.3977% (0.97  10.0  1.00   6.60 223.46) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.17 +/- 1.48   0.193% *  0.2038% (0.20   1.0 10.00   0.02   0.44) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  12.99 +/- 0.41   0.007% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  20.60 +/- 1.76   0.001% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.40 +/- 2.12   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.22 +/- 1.17   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  29.20 +/- 1.73   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  38.70 +/- 1.62   0.000% *  0.0924% (0.90   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.75, residual support = 223.5:
      O   HB3   PRO   52 - HD3   PRO   52   3.98 +/- 0.26  95.140% * 98.5682% (0.57  10.0   6.75 223.46) =  99.993%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.57 +/- 0.50   2.336% *  0.1647% (0.95   1.0   0.02   1.76) =   0.004%
          HB3   GLN   90 - HD3   PRO   52  10.05 +/- 2.20   1.263% *  0.1331% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HD3   PRO   52   8.87 +/- 1.42   1.197% *  0.0434% (0.25   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   PRO   52  16.01 +/- 1.70   0.027% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.43 +/- 1.28   0.022% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.88 +/- 1.57   0.004% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  23.37 +/- 1.39   0.003% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.69 +/- 1.38   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.47 +/- 1.17   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.91 +/- 1.61   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.67 +/- 1.43   0.002% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.42 +/- 1.38   0.002% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.89 +/- 1.63   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 = 53.8:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  99.977% * 99.3019% (0.61   6.10  53.82) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  15.63 +/- 1.68   0.022% *  0.2015% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.15 +/- 1.55   0.001% *  0.3473% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  30.10 +/- 1.74   0.000% *  0.1493% (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 = 3.69, residual support = 14.3:
          HN    GLY   51 - HD3   PRO   52   2.64 +/- 0.82  99.994% * 99.4935% (0.92   3.69  14.31) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.34 +/- 1.23   0.006% *  0.5065% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.03 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   4.19 +/- 0.14  87.408% * 83.3543% (0.61   1.79   1.76) =  97.803%  kept
          HN    PHE   55 - HD2   PRO   52   5.82 +/- 0.18  12.524% * 13.0651% (0.73   0.23   0.50) =   2.197%  kept
          HN    ASP-  62 - HD2   PRO   52  15.28 +/- 0.54   0.039% *  1.4153% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  16.57 +/- 1.43   0.027% *  0.3823% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  26.27 +/- 1.77   0.002% *  1.4796% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.56 +/- 1.49   0.001% *  0.3034% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 53.8:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.01  99.998% * 99.4797% (0.61   8.20  53.82) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  14.40 +/- 1.45   0.002% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  22.60 +/- 1.42   0.000% *  0.2588% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.54 +/- 1.68   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 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   3.27 +/- 0.89  97.856% * 96.8478% (0.92   1.50   8.19) =  99.973%  kept
          QE    LYS+  74 - HB3   CYS   53   7.76 +/- 1.10   1.687% *  1.3233% (0.95   0.02   0.02) =   0.024%
          HB3   ASP-  78 - HB3   CYS   53  10.46 +/- 1.88   0.431% *  0.7920% (0.57   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB3   CYS   53  15.09 +/- 1.35   0.024% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.56 +/- 0.96   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 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   2.74 +/- 0.78  99.122% * 99.6254% (0.92 10.00   1.50   8.19) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   7.94 +/- 1.02   0.671% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  10.44 +/- 1.80   0.198% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.29 +/- 1.24   0.009% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.70 +/- 1.15   0.000% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.942, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   2.86 +/- 0.83  95.761% * 41.1882% (0.95 10.00   0.02   0.02) =  99.605%  kept
          QB    ALA   91 - HA    CYS   53   7.95 +/- 1.82   3.801% *  3.9049% (0.90  1.00   0.02   0.02) =   0.375%
          HG2   LYS+  74 - HA    CYS   53  10.53 +/- 1.54   0.410% *  1.4852% (0.34  1.00   0.02   0.02) =   0.015%
        T HG13  ILE   19 - HA    CYS   53  19.36 +/- 1.17   0.004% * 24.6510% (0.57 10.00   0.02   0.02) =   0.003%
        T HG    LEU   71 - HA    CYS   53  21.46 +/- 1.47   0.002% * 13.4389% (0.31 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    CYS   53  16.25 +/- 1.05   0.012% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  19.78 +/- 1.05   0.004% *  3.9049% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    CYS   53  19.74 +/- 1.12   0.004% *  3.4865% (0.80  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.62 +/- 1.55   0.000% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.24 +/- 1.21   0.001% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 1 structures by 0.21 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 = 44.0:
      O   HN    CYS   53 - HA    CYS   53   2.77 +/- 0.03  99.995% * 99.7861% (0.61  10.0   4.78  44.02) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.05 +/- 0.97   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  20.96 +/- 0.96   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.14 +/- 1.39   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 44.0:
      O   HN    CYS   53 - HB2   CYS   53   2.64 +/- 0.34  99.992% * 99.7861% (0.61  10.0   4.92  44.02) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  13.38 +/- 0.75   0.007% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.27 +/- 0.90   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.58 +/- 1.43   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 31.9:
          HN    ARG+  54 - HB2   CYS   53   3.13 +/- 0.20  95.036% * 98.9873% (0.97   5.50  31.90) =  99.994%  kept
          HN    PHE   55 - HB2   CYS   53   5.15 +/- 0.17   4.925% *  0.1150% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   CYS   53  11.84 +/- 1.02   0.038% *  0.3525% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  23.65 +/- 1.44   0.001% *  0.3342% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.56 +/- 1.30   0.000% *  0.2110% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.86 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   3.91 +/- 0.27  99.870% * 99.1729% (0.87   5.36  31.90) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.07 +/- 0.82   0.126% *  0.2244% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  23.01 +/- 1.34   0.003% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.02 +/- 1.15   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.68, residual support = 165.9:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.78 +/- 0.21  94.051% * 99.8484% (0.87  10.0 10.00   4.68 165.89) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.24 +/- 0.88   5.946% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  16.63 +/- 1.60   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.24 +/- 1.55   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  28.08 +/- 1.52   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 165.9:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.905% * 99.6886% (0.87  10.0 10.00   3.58 165.89) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.38 +/- 0.88   0.083% *  0.0559% (0.49   1.0  1.00   0.02   3.93) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.29 +/- 0.49   0.010% *  0.0920% (0.80   1.0  1.00   0.02  31.90) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.86 +/- 1.25   0.001% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.77 +/- 1.07   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.88 +/- 1.85   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 = 165.9:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.58 165.89) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.61 +/- 1.62   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 = 165.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.69 +/- 0.32  90.899% * 99.8484% (0.87  10.0 10.00   3.74 165.89) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   5.08 +/- 1.16   9.098% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD3   ARG+  54  16.81 +/- 2.17   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.19 +/- 1.30   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.63 +/- 1.57   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 165.9:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.62 +/- 0.29  99.887% * 97.6350% (0.49  10.0 10.00   3.89 165.89) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.68 +/- 0.84   0.051% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54   9.98 +/- 1.43   0.054% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  16.54 +/- 1.97   0.003% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  15.59 +/- 1.06   0.003% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.08 +/- 2.38   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  25.30 +/- 2.13   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.48 +/- 1.09   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.49 +/- 1.27   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.83 +/- 1.53   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.80 +/- 1.34   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.74 +/- 1.20   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  33.93 +/- 2.03   0.000% *  0.1852% (0.92   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.05, residual support = 165.9:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.11 +/- 0.41  99.906% * 99.0727% (0.73  10.0   4.05 165.89) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.37 +/- 1.32   0.077% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.95 +/- 1.41   0.004% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.66 +/- 1.46   0.006% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.46 +/- 1.47   0.002% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.04 +/- 1.92   0.003% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  24.89 +/- 2.39   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  26.76 +/- 1.53   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  27.64 +/- 1.62   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  22.90 +/- 1.82   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.52 +/- 1.24   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  26.94 +/- 1.52   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 165.9:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.976% * 97.1361% (0.92  10.0 10.00   4.97 165.89) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.74 +/- 0.92   0.008% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.18 +/- 0.95   0.015% *  0.0208% (0.20   1.0  1.00   0.02   1.76) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  15.03 +/- 1.90   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  17.99 +/- 2.34   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.19 +/- 1.15   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  14.04 +/- 1.05   0.000% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.44 +/- 0.90   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.08 +/- 1.11   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.26 +/- 1.47   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.65 +/- 1.36   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.63 +/- 1.18   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.87 +/- 1.43   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.21 +/- 1.43   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.14, residual support = 165.9:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.70 +/- 0.22  99.988% * 97.7423% (0.31  10.0   5.14 165.89) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.87 +/- 1.32   0.003% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.61 +/- 1.37   0.002% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  18.84 +/- 1.45   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.98 +/- 1.06   0.003% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  18.20 +/- 1.48   0.001% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  22.82 +/- 1.10   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  24.80 +/- 1.77   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  26.78 +/- 1.40   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.81 +/- 1.46   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  25.72 +/- 1.58   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.42 +/- 1.21   0.000% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.66 +/- 1.19   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 165.9:
      O   HA    ARG+  54 - HG3   ARG+  54   3.24 +/- 0.51  99.975% * 99.5710% (1.00  10.0   5.75 165.89) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.73 +/- 1.44   0.015% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  18.39 +/- 2.23   0.005% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.83 +/- 1.09   0.004% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.08 +/- 1.56   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  27.42 +/- 1.44   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.62 +/- 1.17   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.15 +/- 1.08   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.87 +/- 1.28   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 165.9:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.69 +/- 0.32 100.000% * 99.9462% (0.76  10.0 10.00   3.74 165.89) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.06 +/- 1.77   0.000% *  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 = 4.67, residual support = 164.8:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.78 +/- 0.21  93.350% * 90.2359% (0.87  10.0 10.00   4.68 165.89) =  99.322%  kept
          QB    PHE   55 - HG3   ARG+  54   5.74 +/- 1.16   6.028% *  9.5329% (0.49   1.0  1.00   3.77   3.93) =   0.678%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.75 +/- 0.55   0.548% *  0.0833% (0.80   1.0  1.00   0.02  31.90) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54  10.33 +/- 1.19   0.046% *  0.0631% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.22 +/- 0.83   0.027% *  0.0259% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.70 +/- 0.97   0.000% *  0.0589% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 165.9:
          HN    ARG+  54 - HG3   ARG+  54   3.55 +/- 0.43  99.940% * 99.3140% (0.87   6.47 165.89) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.00 +/- 0.72   0.059% *  0.1861% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  28.09 +/- 1.50   0.001% *  0.1586% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.43 +/- 1.13   0.000% *  0.3413% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 165.9:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.902% * 98.1061% (0.87  10.0 10.00   4.97 165.89) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.13 +/- 0.65   1.081% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.80 +/- 2.99   0.017% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  15.91 +/- 1.99   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.56 +/- 2.07   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.39 +/- 1.70   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.20 +/- 1.48   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.19 +/- 1.15   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.29 +/- 0.96   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.37 +/- 2.27   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 = 0.144, support = 3.06, residual support = 36.5:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  85.562% * 33.8555% (0.12  10.0  1.00   2.48  36.49) =  76.227%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.40 +/- 0.23  14.322% * 63.0750% (0.22  10.0  1.00   4.90  36.49) =  23.773%  kept
          QB    GLU-  15 - HG3   PRO   68   6.75 +/- 2.00   0.113% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  12.44 +/- 1.73   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.64 +/- 1.34   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.70 +/- 0.95   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  17.99 +/- 1.44   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  13.56 +/- 0.94   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.95 +/- 1.49   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.01 +/- 1.21   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  25.02 +/- 1.39   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.57 +/- 1.25   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.26 +/- 1.81   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  23.90 +/- 1.83   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.99 +/- 1.52   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  25.17 +/- 1.69   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.09 +/- 1.86   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  20.32 +/- 1.65   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.93 +/- 1.17   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  18.09 +/- 1.33   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.13 +/- 2.38   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.97 +/- 1.42   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  26.71 +/- 0.95   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.84 +/- 1.01   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 = 0.653, support = 4.69, residual support = 126.6:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.90 +/- 0.12  28.337% * 78.1183% (0.87  10.0 10.00   4.65 165.89) =  69.806%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.47 +/- 0.27  69.117% * 13.6054% (0.15  10.0  1.00   4.82  36.49) =  29.654%  kept
          QB    PHE   55 - HG2   ARG+  54   5.76 +/- 1.11   2.188% *  7.8161% (0.49   1.0  1.00   3.57   3.93) =   0.539%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.33 +/- 0.65   0.325% *  0.0721% (0.80   1.0  1.00   0.02  31.90) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  10.17 +/- 1.21   0.020% *  0.0546% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.49 +/- 0.77   0.013% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.64 +/- 1.88   0.000% *  0.2085% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.83 +/- 1.22   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.70 +/- 0.98   0.001% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.34 +/- 0.86   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.53 +/- 1.17   0.000% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.77 +/- 1.05   0.000% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 165.9:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.62 +/- 0.29 100.000% * 99.7339% (0.31  10.0 10.00   3.89 165.89) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  25.30 +/- 2.13   0.000% *  0.2661% (0.08   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 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.9:
      O T HA    ARG+  54 - HG2   ARG+  54   2.49 +/- 0.59  99.810% * 97.8074% (1.00  10.0 10.00   5.69 165.89) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  15.21 +/- 1.32   0.008% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  13.83 +/- 3.48   0.166% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  18.32 +/- 2.41   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  18.59 +/- 1.58   0.002% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.57 +/- 1.19   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.95 +/- 1.20   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.47 +/- 1.10   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.37 +/- 1.47   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.09 +/- 1.78   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.26 +/- 1.57   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  32.46 +/- 1.35   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.71 +/- 1.42   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.30 +/- 0.95   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.76 +/- 1.05   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  21.91 +/- 1.93   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.39 +/- 0.71   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  35.00 +/- 1.24   0.000% *  0.0515% (0.53   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 165.9:
          HN    ARG+  54 - HG2   ARG+  54   3.40 +/- 0.29  99.873% * 99.0316% (0.87   6.34 165.89) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.12 +/- 0.77   0.064% *  0.1895% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.75 +/- 0.97   0.044% *  0.0506% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.69 +/- 1.48   0.015% *  0.0928% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.97 +/- 0.89   0.003% *  0.0431% (0.12   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.34 +/- 1.10   0.001% *  0.0834% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  27.32 +/- 1.41   0.000% *  0.1615% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.56 +/- 1.10   0.000% *  0.3476% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   4.62 +/- 0.63  99.510% * 19.4000% (0.97   0.02   0.02) =  99.636%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  14.80 +/- 1.74   0.202% * 19.7041% (0.98   0.02   0.02) =   0.205%
          HD2   LYS+  74 - HB3   ARG+  54  13.88 +/- 0.88   0.169% * 14.5972% (0.73   0.02   0.02) =   0.127%
          QD    LYS+  65 - HB3   ARG+  54  15.24 +/- 1.55   0.096% *  3.5205% (0.18   0.02   0.02) =   0.017%
          HB3   LEU  123 - HB3   ARG+  54  22.38 +/- 1.35   0.009% * 19.4000% (0.97   0.02   0.02) =   0.009%
          QD    LYS+  33 - HB3   ARG+  54  27.09 +/- 1.13   0.003% * 19.4000% (0.97   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HB3   ARG+  54  21.55 +/- 0.77   0.012% *  3.9782% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.03 A violated in 17 structures by 1.59 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.25, residual support = 165.9:
      O   HN    ARG+  54 - HB3   ARG+  54   2.48 +/- 0.60  99.979% * 99.7769% (0.87  10.0   5.25 165.89) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.55 +/- 0.71   0.021% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  28.10 +/- 1.12   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.23 +/- 0.88   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.4, residual support = 165.9:
      O   HN    ARG+  54 - HB2   ARG+  54   3.01 +/- 0.58  99.947% * 99.6984% (0.87  10.0   6.40 165.89) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.27 +/- 0.50   0.034% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  17.17 +/- 1.72   0.005% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.93 +/- 1.64   0.006% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  17.63 +/- 1.23   0.004% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  22.55 +/- 3.30   0.002% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  28.27 +/- 1.34   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.26 +/- 1.00   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  25.55 +/- 1.83   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  24.69 +/- 3.11   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.04 +/- 2.04   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.71 +/- 1.53   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 29.6:
          QE    PHE   59 - HA    LEU  115   3.38 +/- 0.59  94.787% * 76.5137% (0.25   1.50  29.65) =  99.746%  kept
          HN    PHE   59 - HA    LEU  115   7.91 +/- 1.23   1.229% *  8.7457% (0.13   0.33  29.65) =   0.148%
          QD    PHE   60 - HA    ARG+  54   7.04 +/- 0.60   1.845% *  2.3442% (0.57   0.02   0.02) =   0.059%
          HN    PHE   59 - HA    ARG+  54   7.66 +/- 0.49   1.445% *  1.7022% (0.41   0.02   0.02) =   0.034%
          QE    PHE   59 - HA    ARG+  54  11.02 +/- 0.59   0.130% *  3.3155% (0.80   0.02   0.02) =   0.006%
          QD    PHE   60 - HA    LEU  115   9.62 +/- 1.17   0.509% *  0.7213% (0.17   0.02   0.02) =   0.005%
          HN    LYS+  66 - HA    ARG+  54  15.67 +/- 0.65   0.015% *  4.0585% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    LEU  115  13.19 +/- 1.12   0.034% *  1.2488% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  19.13 +/- 1.69   0.005% *  1.0324% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  25.22 +/- 2.04   0.001% *  0.3177% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.19, residual support = 155.5:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.04  82.217% * 75.5578% (0.97  10.0   6.38 165.89) =  93.562%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.55 +/- 0.03  17.689% * 24.1648% (0.31  10.0   3.37   3.93) =   6.438%  kept
          HN    ASP-  62 - HA    ARG+  54  10.22 +/- 0.49   0.033% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.36 +/- 1.13   0.037% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.35 +/- 0.87   0.007% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.60 +/- 0.81   0.016% *  0.0074% (0.09   1.0   0.02   4.69) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.93 +/- 1.15   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.78 +/- 0.86   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.79 +/- 0.91   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.84 +/- 0.94   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 = 4.28, residual support = 17.6:
          HN    ILE   56 - QB    PHE   55   2.87 +/- 0.24  99.346% * 97.4389% (0.57   4.28  17.58) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   7.50 +/- 1.17   0.542% *  0.1792% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55  10.07 +/- 0.98   0.082% *  0.2007% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.47 +/- 0.26   0.027% *  0.5529% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  21.80 +/- 2.79   0.001% *  0.6723% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.13 +/- 1.16   0.000% *  0.7768% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.72 +/- 1.38   0.002% *  0.1792% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 2.92, residual support = 20.2:
      O   HN    PHE   55 - QB    PHE   55   2.04 +/- 0.08  98.736% * 99.5965% (0.73  10.0   2.92  20.16) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.24 +/- 0.15   1.257% *  0.0832% (0.61   1.0   0.02   3.93) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.35 +/- 0.17   0.006% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.74 +/- 1.77   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.73 +/- 1.11   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.65 +/- 0.97   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.61 +/- 0.56  95.137% * 36.5548% (0.90   0.02   0.02) =  97.437%  kept
          HN    LYS+  66 - QB    PHE   55  15.19 +/- 0.40   3.302% * 16.7569% (0.41   0.02   0.02) =   1.550%  kept
          HN    LYS+  81 - QB    PHE   55  19.60 +/- 1.04   0.772% * 40.3993% (0.99   0.02   0.02) =   0.873%  kept
          HE3   TRP   27 - QB    PHE   55  19.45 +/- 1.15   0.789% *  6.2891% (0.15   0.02   0.02) =   0.139%
    Distance limit 3.19 A violated in 20 structures by 5.36 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.98, residual support = 122.7:
      O   HN    ILE   56 - HB    ILE   56   2.66 +/- 0.60  99.367% * 98.8687% (0.25  10.0   5.98 122.69) =  99.999%  kept
          QE    PHE   60 - HB    ILE   56   8.54 +/- 1.47   0.304% *  0.2245% (0.57   1.0   0.02   3.84) =   0.001%
          HN    LEU   63 - HB    ILE   56   9.63 +/- 1.05   0.327% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.12 +/- 1.07   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  22.30 +/- 3.12   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.622, support = 1.75, residual support = 9.41:
          QD    PHE   55 - HB    ILE   56   4.90 +/- 0.51  35.991% * 61.6158% (0.41   2.74  17.58) =  50.368%  kept
          QE    PHE   95 - HB    ILE   56   4.59 +/- 1.63  63.820% * 34.2381% (0.84   0.75   1.11) =  49.628%  kept
          HD1   TRP   49 - HB    ILE   56  13.79 +/- 2.17   0.133% *  0.8354% (0.76   0.02   0.02) =   0.003%
          HN    LEU   67 - HB    ILE   56  15.92 +/- 1.31   0.031% *  1.0834% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  18.99 +/- 0.89   0.010% *  0.9482% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.10 +/- 1.03   0.013% *  0.3729% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  23.62 +/- 0.91   0.002% *  0.6630% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.93 +/- 1.39   0.001% *  0.2434% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.56, residual support = 122.7:
      O T QD1   ILE   56 - HB    ILE   56   2.63 +/- 0.33  99.948% * 99.4902% (0.87  10.0 10.00   4.56 122.69) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.19 +/- 2.08   0.040% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.59 +/- 1.82   0.005% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.06 +/- 1.10   0.006% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.41 +/- 1.25   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 = 3.91, residual support = 122.7:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.993% * 98.2187% (0.87  10.0 10.00   3.91 122.69) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.64 +/- 0.96   0.002% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.17 +/- 0.93   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  10.85 +/- 1.10   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.76 +/- 1.10   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.7, residual support = 122.7:
        T QG2   ILE   56 - QD1   ILE   56   2.98 +/- 0.48  99.664% * 98.5057% (0.72 10.00   4.70 122.69) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   9.05 +/- 1.22   0.176% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  16.14 +/- 0.85   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   8.98 +/- 1.41   0.143% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  15.59 +/- 1.59   0.005% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.76 +/- 0.75   0.006% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.44 +/- 1.40   0.001% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.833, support = 2.28, residual support = 4.96:
          QB    ALA  110 - QD1   ILE   56   3.96 +/- 2.40  54.468% * 75.1793% (0.85  1.00   2.40   5.27) =  93.767%  kept
          QB    ALA   61 - QD1   ILE   56   6.73 +/- 0.75   9.577% * 15.1604% (0.94  1.00   0.44   0.02) =   3.325%  kept
          HB3   LEU  115 - QD1   ILE   56   3.85 +/- 1.33  35.073% *  3.6082% (0.21  1.00   0.46   0.34) =   2.898%  kept
          QG    LYS+  66 - QD1   ILE   56  10.49 +/- 0.91   0.231% *  0.6050% (0.82  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 121 - QD1   ILE   56  12.05 +/- 1.02   0.064% *  1.9393% (0.26 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   ILE   56  12.66 +/- 1.55   0.273% *  0.1739% (0.24  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   ILE   56  14.02 +/- 1.21   0.085% *  0.4791% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   56  13.83 +/- 0.97   0.056% *  0.6837% (0.93  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  16.35 +/- 1.48   0.034% *  0.5826% (0.79  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  18.10 +/- 2.56   0.020% *  0.6439% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.64 +/- 2.22   0.034% *  0.2867% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.69 +/- 0.91   0.055% *  0.1076% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.79 +/- 0.86   0.026% *  0.1553% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.03 +/- 1.37   0.004% *  0.3949% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 4 structures by 0.35 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.91, residual support = 122.7:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.515% * 98.9931% (0.85  10.0 10.00   3.91 122.69) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   7.62 +/- 1.96   0.460% *  0.0341% (0.29   1.0  1.00   0.02   2.22) =   0.000%
          HB3   MET   92 - QD1   ILE   56   8.44 +/- 1.06   0.018% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.72 +/- 1.34   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.40 +/- 1.13   0.005% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.99 +/- 0.68   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.84 +/- 1.40   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.01 +/- 0.77   0.000% *  0.0884% (0.76   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 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.56, residual support = 122.7:
      O T HB    ILE   56 - QD1   ILE   56   2.63 +/- 0.33  99.369% * 98.1990% (0.72  10.0 10.00   4.56 122.69) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.51 +/- 0.30   0.489% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   9.49 +/- 0.83   0.072% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.47 +/- 1.02   0.055% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.56 +/- 1.18   0.001% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.04 +/- 1.22   0.010% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.37 +/- 1.10   0.002% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.26 +/- 1.26   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.67 +/- 1.02   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.63 +/- 1.60   0.000% *  0.0286% (0.21   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 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.56:
        T HA    LYS+ 112 - QD1   ILE   56   3.82 +/- 1.71  80.720% * 99.8485% (0.79 10.00   1.82   8.56) =  99.990%  kept
          HB    THR   46 - QD1   ILE   56   7.93 +/- 2.27  19.144% *  0.0406% (0.29  1.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - QD1   ILE   56  12.50 +/- 0.94   0.126% *  0.0744% (0.54  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  20.12 +/- 1.57   0.010% *  0.0365% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 5 structures by 0.89 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 3.02, residual support = 8.3:
          HA    ALA  110 - QD1   ILE   56   4.20 +/- 3.29  77.448% * 45.6685% (0.94   2.71   5.27) =  75.432%  kept
          HA    PHE   55 - QD1   ILE   56   4.60 +/- 0.39  21.441% * 53.7221% (0.76   3.95  17.58) =  24.566%  kept
          HA    VAL  107 - QD1   ILE   56   7.34 +/- 1.36   0.631% *  0.1275% (0.36   0.02   0.02) =   0.002%
          HA    ALA   91 - QD1   ILE   56  11.20 +/- 1.22   0.307% *  0.0847% (0.24   0.02   0.02) =   0.001%
          HA    GLN   90 - QD1   ILE   56  13.51 +/- 1.04   0.075% *  0.3215% (0.89   0.02   0.02) =   0.001%
          HA    VAL   42 - QD1   ILE   56  12.07 +/- 0.82   0.098% *  0.0757% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 4 structures by 0.35 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  10.55 +/- 0.61 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.32 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.57, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.80 +/- 0.27  99.861% * 93.1052% (0.29   1.57  20.71) =  99.995%  kept
          HN    HIS  122 - QD1   ILE   56  11.52 +/- 0.61   0.134% *  3.3402% (0.82   0.02   0.02) =   0.005%
          HH2   TRP   87 - QD1   ILE   56  20.87 +/- 2.50   0.005% *  3.5546% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.3:
          HN    ALA   57 - QD1   ILE   56   3.89 +/- 0.69  92.946% * 98.3780% (0.42   4.64  33.33) =  99.973%  kept
          HE21  GLN  116 - QD1   ILE   56   8.11 +/- 2.10   7.030% *  0.3548% (0.36   0.02   0.02) =   0.027%
          HE21  GLN   90 - QD1   ILE   56  16.35 +/- 1.40   0.022% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  24.25 +/- 1.10   0.002% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 5.67, residual support = 122.7:
          HN    ILE   56 - QD1   ILE   56   2.94 +/- 0.64  98.889% * 96.1176% (0.24   5.67 122.69) =  99.992%  kept
          QE    PHE   60 - QD1   ILE   56   7.58 +/- 1.51   0.637% *  0.7704% (0.54   0.02   3.84) =   0.005%
          HN    LEU   63 - QD1   ILE   56   7.68 +/- 0.41   0.469% *  0.4641% (0.32   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD1   ILE   56  19.33 +/- 2.54   0.003% *  1.3607% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  18.95 +/- 1.07   0.002% *  1.2872% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.74, residual support = 8.56:
          HN    LYS+ 112 - QD1   ILE   56   4.77 +/- 1.88  90.834% * 97.4188% (0.50   1.74   8.56) =  99.931%  kept
          HN    VAL   75 - QD1   ILE   56  11.06 +/- 1.37   7.203% *  0.4747% (0.21   0.02   0.02) =   0.039%
          HN    ASP-  78 - QD1   ILE   56  13.37 +/- 1.66   1.956% *  1.3792% (0.61   0.02   0.02) =   0.030%
          HN    MET   11 - QD1   ILE   56  29.37 +/- 1.16   0.006% *  0.7273% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 5 structures by 1.19 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   3.33 +/- 0.37  95.158% * 99.8494% (0.38 10.00   3.00  20.71) =  99.992%  kept
          HB2   PHE   95 - QG1   ILE   56   5.71 +/- 0.58   4.842% *  0.1506% (0.57  1.00   0.02   1.11) =   0.008%
    Distance limit 3.60 A violated in 0 structures by 0.05 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   2.62 +/- 0.42  94.460% * 73.3058% (0.34 10.00   2.49  20.71) =  98.412%  kept
          QB    PHE   55 - QG1   ILE   56   4.75 +/- 0.33   4.291% * 25.9945% (0.61  1.00   3.99  17.58) =   1.585%  kept
          HB3   CYS   53 - QG1   ILE   56   6.49 +/- 0.49   0.580% *  0.1927% (0.90  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - QG1   ILE   56   6.78 +/- 0.77   0.625% *  0.1561% (0.73  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QG1   ILE   56  10.09 +/- 0.62   0.041% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  15.56 +/- 0.90   0.003% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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  10.58 +/- 0.69 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.86 A violated in 20 structures by 6.72 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   3.07 +/- 0.65  99.933% * 96.4508% (0.34   1.97  20.71) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.58 +/- 0.73   0.059% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG1   ILE   56  17.08 +/- 0.81   0.006% *  0.9771% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  21.20 +/- 2.75   0.002% *  1.3944% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 122.7:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.01  99.495% * 98.8687% (0.25  10.0   5.05 122.69) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   8.53 +/- 1.09   0.304% *  0.2245% (0.57   1.0   0.02   3.84) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.28 +/- 0.28   0.199% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  24.18 +/- 2.88   0.000% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.26 +/- 1.01   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.8:
        T HD2   PRO   58 - QB    ALA   57   2.22 +/- 0.12  98.213% * 98.8080% (0.95 10.00   5.07  24.78) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   4.85 +/- 0.96   1.786% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  18.19 +/- 1.42   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  21.86 +/- 0.53   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.91 +/- 0.61   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.08 +/- 0.06  99.989% * 98.4865% (0.18  10.0   4.87  24.31) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  13.67 +/- 1.59   0.002% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  11.49 +/- 1.92   0.006% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.42 +/- 0.62   0.001% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.62 +/- 0.72   0.000% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.41 +/- 0.69   0.001% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.82 +/- 0.06  99.968% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  13.00 +/- 2.23   0.019% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.63 +/- 0.73   0.006% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.74 +/- 1.94   0.006% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  18.53 +/- 0.94   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  99.915% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.73 +/- 0.51   0.023% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57   9.98 +/- 1.13   0.014% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.54 +/- 1.46   0.041% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  14.79 +/- 2.05   0.005% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.37 +/- 0.62   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.47 +/- 1.37   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.98 +/- 1.35   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.48 +/- 1.13   0.001% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.56 +/- 1.63   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.50 +/- 1.14   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.58 +/- 1.19   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 = 0.218, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.05 +/- 0.27  95.564% *  5.7685% (0.15   0.02   0.02) =  86.831%  kept
          HN    LEU   80 - HB2   PRO   58  22.84 +/- 0.78   2.122% * 11.5391% (0.31   0.02   0.02) =   3.857%  kept
          HN    GLN   32 - HB2   PRO   58  28.20 +/- 0.79   0.596% * 37.3861% (1.00   0.02   0.02) =   3.508%  kept
          HN    SER   85 - HB2   PRO   58  27.48 +/- 1.09   0.716% * 29.9364% (0.80   0.02   0.02) =   3.378%  kept
          HN    ALA   34 - HB2   PRO   58  25.89 +/- 0.84   1.002% * 15.3699% (0.41   0.02   0.02) =   2.427%  kept
    Distance limit 3.87 A violated in 20 structures by 8.09 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 = 40.3:
      O   HN    PHE   59 - HB3   PRO   58   4.08 +/- 0.18  96.439% * 99.6725% (0.61  10.0   6.30  40.28) =  99.998%  kept
          QE    PHE   59 - HB3   PRO   58   9.22 +/- 0.67   0.796% *  0.1360% (0.83   1.0   0.02  40.28) =   0.001%
          QD    PHE   60 - HB3   PRO   58   7.77 +/- 0.60   2.318% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.28 +/- 0.53   0.399% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.55 +/- 0.64   0.048% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  30.53 +/- 2.58   0.001% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.1:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.984% * 99.7269% (0.95  10.0   5.39 147.05) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58  10.00 +/- 0.68   0.016% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.88 +/- 2.02   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.05 +/- 0.75   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.38 +/- 0.86   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 = 147.1:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.858% * 99.2991% (0.76  10.0   4.50 147.05) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.63 +/- 0.94   0.094% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.17 +/- 0.77   0.029% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.93 +/- 0.67   0.011% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.49 +/- 0.71   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.46 +/- 0.65   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.56 +/- 1.03   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  29.78 +/- 1.40   0.001% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.58, residual support = 24.8:
          HN    ALA   57 - HD2   PRO   58   1.96 +/- 0.27  99.993% * 98.5857% (0.54   5.58  24.78) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  11.18 +/- 2.45   0.006% *  0.4039% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.93 +/- 0.75   0.001% *  0.6025% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  17.93 +/- 0.83   0.000% *  0.2343% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  18.20 +/- 1.76   0.000% *  0.1736% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.0:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.189% * 99.2639% (0.72  10.0   6.52 147.05) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.05 +/- 0.90   0.435% *  0.1254% (0.91   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  14.26 +/- 0.79   0.049% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68   8.80 +/- 1.19   1.191% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68  10.07 +/- 0.75   0.417% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.58 +/- 0.67   0.028% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.38 +/- 1.01   0.383% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.59 +/- 0.69   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  14.10 +/- 1.52   0.080% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  20.58 +/- 0.63   0.005% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.50 +/- 1.04   0.120% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  14.43 +/- 1.36   0.052% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.99 +/- 0.94   0.037% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.85 +/- 0.89   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.13 +/- 1.36   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.87 +/- 1.13   0.005% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.92, residual support = 24.8:
          HN    ALA   57 - HD3   PRO   58   2.15 +/- 0.13  99.959% * 97.8901% (0.54   3.92  24.78) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58   9.97 +/- 2.33   0.026% *  0.5709% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.46 +/- 0.73   0.003% *  0.8517% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  16.65 +/- 0.87   0.001% *  0.3312% (0.36   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  12.52 +/- 2.21   0.007% *  0.0147% (0.02   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  18.39 +/- 1.76   0.000% *  0.2454% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  14.10 +/- 1.65   0.002% *  0.0377% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.48 +/- 1.54   0.002% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  17.01 +/- 2.42   0.001% *  0.0253% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.85 +/- 0.92   0.000% *  0.0221% (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 = 24.8:
          QB    ALA   57 - HD3   PRO   58   3.34 +/- 0.12  98.636% * 96.7335% (0.87   3.30  24.78) =  99.999%  kept
          QD    LYS+  65 - HD3   PRO   58  10.71 +/- 1.23   0.142% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  12.73 +/- 1.69   0.058% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   PRO   58  12.12 +/- 0.53   0.047% *  0.6298% (0.94   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.11 +/- 2.41   0.444% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.17 +/- 1.16   0.014% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.04 +/- 1.16   0.365% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.93 +/- 0.58   0.013% *  0.3343% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.43 +/- 2.11   0.194% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.51 +/- 1.73   0.042% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.26 +/- 1.70   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.69 +/- 1.79   0.020% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.74 +/- 1.12   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.08 +/- 1.61   0.010% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.53 +/- 0.77   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  25.37 +/- 1.74   0.001% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.87 +/- 2.00   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  28.28 +/- 2.21   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.8:
        T QB    ALA   57 - HD2   PRO   58   2.22 +/- 0.12  99.978% * 97.4262% (0.87 10.00   5.07  24.78) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.56 +/- 1.22   0.014% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  12.38 +/- 0.49   0.004% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  13.94 +/- 1.72   0.003% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.57 +/- 1.53   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  16.29 +/- 1.11   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.54 +/- 0.56   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.47 +/- 1.73   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.35 +/- 1.17   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 147.1:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.986% * 99.6708% (0.89  10.0 10.00   7.73 147.05) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.96 +/- 0.66   0.013% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  18.36 +/- 0.94   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.37 +/- 2.13   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  14.41 +/- 1.33   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.05 +/- 0.68   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.16 +/- 1.23   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.53 +/- 0.81   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.23 +/- 1.54   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  30.24 +/- 2.73   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 = 147.1:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.990% * 99.5891% (0.95  10.0 10.00   7.73 147.05) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.22 +/- 0.31   0.010% *  0.0446% (0.42   1.0  1.00   0.02   0.75) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  18.36 +/- 0.94   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.75 +/- 0.61   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 = 40.3:
          HN    PHE   59 - HD2   PRO   58   3.70 +/- 0.03  99.452% * 99.0695% (0.69   6.65  40.28) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.88 +/- 0.24   0.531% *  0.1400% (0.32   0.02  40.28) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.87 +/- 0.43   0.016% *  0.4023% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  27.93 +/- 2.40   0.001% *  0.3882% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.84 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   3.33 +/- 0.37  99.993% * 99.6917% (0.53 10.00   3.00  20.71) = 100.000%  kept
          HB3   LYS+  99 - HB3   PHE   59  18.05 +/- 0.94   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB3   PHE   59  20.41 +/- 1.96   0.002% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.459, support = 0.673, residual support = 5.94:
          HB3   ASP-  62 - HB3   PHE   59   5.53 +/- 0.87  39.602% * 68.2944% (0.45   0.75   6.61) =  87.115%  kept
          HB    VAL  107 - HB3   PHE   59   6.98 +/- 1.57  14.037% * 17.7564% (0.38   0.23   2.30) =   8.028%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.17 +/- 2.38  46.246% *  3.2527% (0.80   0.02   0.02) =   4.845%  kept
          HB3   PHE   45 - HB3   PHE   59  13.42 +/- 0.99   0.110% *  3.2527% (0.80   0.02   0.02) =   0.012%
          HB3   ASP-  86 - HB3   PHE   59  24.53 +/- 2.83   0.004% *  3.5236% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.80 +/- 0.81   0.001% *  3.9202% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.34 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   2.62 +/- 0.42  99.985% * 99.0024% (0.18 10.00   2.49  20.71) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.12 +/- 1.09   0.010% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  19.30 +/- 1.64   0.001% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.07 +/- 0.85   0.002% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.18 +/- 1.23   0.001% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  21.58 +/- 1.19   0.000% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.4:
      O   HN    PHE   59 - HB3   PHE   59   2.49 +/- 0.24  99.977% * 99.4232% (0.31  10.0   4.98  58.43) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.52 +/- 0.59   0.023% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  26.98 +/- 3.38   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.4:
      O   HN    PHE   59 - HB2   PHE   59   2.26 +/- 0.24  98.038% * 99.7763% (1.00  10.0   4.37  58.43) =  99.998%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.02   1.936% *  0.0799% (0.80   1.0   0.02  58.43) =   0.002%
          HN    HIS  122 - HB2   PHE   59  11.19 +/- 0.70   0.010% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59  10.05 +/- 0.42   0.016% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  25.99 +/- 3.05   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.61:
          HB2   ASP-  62 - HA    PHE   59   3.23 +/- 0.28  99.906% * 97.0773% (0.99  1.00   1.50   6.61) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.22 +/- 1.07   0.068% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  13.23 +/- 0.99   0.025% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.61:
          HB3   ASP-  62 - HA    PHE   59   3.16 +/- 0.90  98.033% * 85.4423% (0.18  1.00   2.96   6.61) =  99.973%  kept
          HG3   GLN  116 - HA    PHE   59   7.88 +/- 1.28   1.947% *  1.1256% (0.34  1.00   0.02   0.59) =   0.026%
          HG3   MET   96 - HA    PHE   59  15.44 +/- 0.91   0.018% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  24.06 +/- 2.41   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  27.58 +/- 1.68   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.4:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.05  96.326% * 99.7763% (1.00  10.0   4.97  58.43) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.88 +/- 0.25   3.408% *  0.0799% (0.80   1.0   0.02  58.43) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.81 +/- 0.58   0.211% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.67 +/- 0.41   0.055% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  28.26 +/- 3.16   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 19.3:
          HN    PHE   60 - HB3   PHE   59   3.67 +/- 0.41  91.705% * 98.7574% (0.61   4.01  19.27) =  99.985%  kept
          HN    GLN  116 - HB3   PHE   59   6.19 +/- 0.90   7.225% *  0.1422% (0.18   0.02   0.59) =   0.011%
          HN    THR  118 - HB3   PHE   59   8.11 +/- 0.68   1.067% *  0.3047% (0.38   0.02   5.13) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  20.23 +/- 0.76   0.004% *  0.7958% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.986, support = 3.9, residual support = 71.3:
          QD    PHE   60 - HA    PHE   60   2.70 +/- 0.37  84.716% * 91.3296% (1.00   3.94  72.13) =  98.478%  kept
          QE    PHE   59 - HA    PHE   60   4.03 +/- 0.87  15.012% *  7.9608% (0.25   1.37  19.27) =   1.521%  kept
          HN    LYS+  66 - HA    PHE   60   7.32 +/- 0.34   0.272% *  0.3375% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  21.55 +/- 1.05   0.000% *  0.3721% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 72.1:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.04  99.918% * 99.7483% (0.61  10.0   4.94  72.13) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.57 +/- 0.62   0.037% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.37 +/- 0.56   0.042% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.74 +/- 0.81   0.003% *  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 +/- 0.01  99.964% * 99.5823% (0.84  10.0   4.87  40.67) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  16.72 +/- 0.77   0.011% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  16.99 +/- 0.66   0.010% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  17.98 +/- 0.76   0.007% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  20.20 +/- 2.33   0.004% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  24.27 +/- 2.86   0.001% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.91 +/- 0.95   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.23 +/- 0.33  97.787% * 42.7977% (0.15   0.75   0.75) =  99.615%  kept
          HA    ASP-  44 - HB2   PHE   60   7.10 +/- 1.08   2.148% *  7.3803% (1.00   0.02   2.10) =   0.377%
          HB    THR   77 - HB2   PHE   60  13.71 +/- 1.32   0.022% *  7.2502% (0.98   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   PHE   60  13.22 +/- 0.75   0.022% *  2.7761% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   PHE   60  17.20 +/- 0.82   0.006% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  17.07 +/- 1.05   0.006% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  19.20 +/- 0.80   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  18.63 +/- 0.93   0.003% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  22.86 +/- 1.50   0.001% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  23.56 +/- 2.32   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  24.62 +/- 0.93   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  28.09 +/- 1.19   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 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 = 72.1:
      O   QD    PHE   60 - HB2   PHE   60   2.32 +/- 0.07  99.947% * 99.7759% (0.76  10.0   3.76  72.13) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.33 +/- 0.32   0.024% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.23 +/- 0.49   0.028% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.21 +/- 0.92   0.001% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.92 +/- 0.77   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   2.70 +/- 0.33  99.989% * 95.6743% (0.38   4.82  40.67) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  15.00 +/- 0.74   0.005% *  0.4741% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.43 +/- 0.65   0.002% *  0.8468% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  19.13 +/- 2.29   0.002% *  0.9484% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.35 +/- 0.75   0.001% *  0.9762% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.12 +/- 0.58   0.001% *  0.3607% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.94 +/- 0.98   0.000% *  0.5564% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  23.41 +/- 2.64   0.000% *  0.1632% (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 = 72.1:
      O   HN    PHE   60 - HB2   PHE   60   2.02 +/- 0.13  99.993% * 99.7483% (0.61  10.0   4.80  72.13) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.13 +/- 0.66   0.002% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.07 +/- 0.61   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  16.77 +/- 0.90   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 11.4:
        T QD1   LEU   63 - HA    PHE   60   2.73 +/- 0.42  94.823% * 98.2281% (1.00 10.00   3.17  11.43) =  99.996%  kept
          QD2   LEU   63 - HA    PHE   60   4.77 +/- 0.39   4.127% *  0.0556% (0.57  1.00   0.02  11.43) =   0.002%
          QD2   LEU  115 - HA    PHE   60   6.15 +/- 0.64   0.988% *  0.0820% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    PHE   60  10.72 +/- 0.55   0.038% *  0.9823% (1.00 10.00   0.02   2.19) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  12.34 +/- 0.79   0.015% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  16.10 +/- 2.22   0.004% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.87 +/- 2.02   0.005% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.4:
        T HB2   LEU   63 - HA    PHE   60   2.47 +/- 0.36  97.160% * 98.8172% (0.92 10.00   1.50  11.43) =  99.996%  kept
          HB3   ASP-  44 - HA    PHE   60   5.47 +/- 1.02   2.680% *  0.1399% (0.98  1.00   0.02   2.10) =   0.004%
          HB3   PRO   93 - HA    PHE   60   8.72 +/- 0.78   0.090% *  0.1238% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.16 +/- 2.22   0.021% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  13.76 +/- 1.00   0.005% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  13.54 +/- 1.17   0.005% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  10.97 +/- 0.99   0.021% *  0.0220% (0.15  1.00   0.02   2.19) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.78 +/- 0.89   0.007% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.37 +/- 0.53   0.005% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  17.45 +/- 0.97   0.001% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  19.87 +/- 2.36   0.001% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  16.78 +/- 0.77   0.001% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.71 +/- 0.93   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.49 +/- 1.08   0.000% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.72 +/- 1.53   0.000% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.34, support = 0.0198, residual support = 0.682:
        T QG2   VAL   18 - HA    ALA   61   4.38 +/- 0.61  91.521% * 23.8406% (0.34 10.00   0.02   0.69) =  98.600%  kept
          QD1   ILE   56 - HA    ALA   61   8.70 +/- 1.02   3.089% *  4.2391% (0.61  1.00   0.02   0.02) =   0.592%  kept
          QG2   THR   46 - HA    ALA   61   8.07 +/- 1.41   4.321% *  1.7428% (0.25  1.00   0.02   0.02) =   0.340%
        T QG1   VAL   41 - HA    ALA   61  14.12 +/- 0.56   0.094% * 53.4130% (0.76 10.00   0.02   0.02) =   0.227%
          QD2   LEU   73 - HA    ALA   61  10.09 +/- 0.63   0.683% *  6.0626% (0.87  1.00   0.02   0.02) =   0.187%
          QG1   VAL   43 - HA    ALA   61  11.83 +/- 0.53   0.278% *  3.9569% (0.57  1.00   0.02   0.02) =   0.050%
          HG    LEU   31 - HA    ALA   61  19.46 +/- 1.10   0.014% *  6.7450% (0.97  1.00   0.02   0.02) =   0.004%
    Distance limit 2.90 A violated in 16 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.6, residual support = 7.56:
        T QB    ALA   64 - HA    ALA   61   2.81 +/- 0.25  99.858% * 98.7496% (0.34 10.00   2.60   7.56) = 100.000%  kept
          QD1   LEU  115 - HA    ALA   61   8.94 +/- 0.65   0.124% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   75 - HA    ALA   61  12.37 +/- 0.80   0.018% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.56:
          HN    ALA   64 - HA    ALA   61   3.53 +/- 0.15 100.000% *100.0000% (0.84   0.75   7.56) = 100.000%  kept
    Distance limit 3.98 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   2.78 +/- 0.04  99.995% * 98.9218% (0.38  10.0   2.77  18.02) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  17.84 +/- 0.72   0.001% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  19.04 +/- 0.57   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  18.92 +/- 0.78   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  22.42 +/- 2.33   0.000% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.85 +/- 0.72   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.84 +/- 0.73   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  26.76 +/- 2.86   0.000% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.83, residual support = 71.8:
      O   QD    PHE   60 - HB3   PHE   60   2.65 +/- 0.12  90.085% * 94.1611% (0.73  10.0   3.84  72.13) =  99.427%  kept
          QE    PHE   59 - HB3   PHE   60   4.78 +/- 1.50   8.689% *  5.6248% (0.65   1.0   1.34  19.27) =   0.573%  kept
          HN    PHE   59 - HB3   PHE   60   5.64 +/- 0.39   1.175% *  0.0361% (0.28   1.0   0.02  19.27) =   0.000%
          HN    LYS+  66 - HB3   PHE   60   9.26 +/- 0.32   0.051% *  0.1294% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.52 +/- 0.97   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 72.1:
      O   HN    PHE   60 - HB3   PHE   60   2.89 +/- 0.28  99.996% * 99.5797% (0.20  10.0   4.94  72.13) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.45 +/- 1.01   0.004% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  18.49 +/- 2.22  22.019% * 23.9067% (0.95   0.02   0.02) =  30.938%  kept
          HN    THR   39 - HB3   PHE   60  19.19 +/- 0.90  15.074% * 23.3294% (0.92   0.02   0.02) =  20.668%  kept
          HN    TRP   27 - HB3   PHE   60  16.27 +/- 0.63  40.447% *  8.6206% (0.34   0.02   0.02) =  20.492%  kept
          HN    LYS+ 102 - HB3   PHE   60  18.88 +/- 0.85  16.949% * 20.2366% (0.80   0.02   0.02) =  20.158%  kept
          HN    GLU-  36 - HB3   PHE   60  22.70 +/- 1.11   5.511% * 23.9067% (0.95   0.02   0.02) =   7.744%  kept
    Distance limit 3.58 A violated in 20 structures by 10.39 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.0, residual support = 5.01:
          HA    LYS+  81 - QB    ALA   84   2.20 +/- 0.21  99.996% * 55.2208% (0.33  1.00   2.00   5.01) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  16.91 +/- 2.75   0.001% * 14.9440% (0.89 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.03 +/- 1.13   0.001% *  1.4042% (0.84  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  23.35 +/- 2.24   0.000% * 12.3718% (0.74 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  19.35 +/- 1.36   0.000% *  1.4518% (0.87  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  16.06 +/- 2.10   0.001% *  0.2498% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  30.09 +/- 1.61   0.000% * 12.3718% (0.74 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  22.74 +/- 1.99   0.000% *  0.9165% (0.55  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  21.80 +/- 1.62   0.000% *  0.6655% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  27.65 +/- 2.56   0.000% *  0.4037% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.184, support = 2.23, residual support = 19.5:
          HA    SER   85 - QB    ALA   84   3.79 +/- 0.04  64.240% * 37.5563% (0.15  1.00   2.33  20.73) =  94.287%  kept
          HA    ASP-  86 - QB    ALA   84   6.44 +/- 0.06   2.630% * 51.2526% (0.84  1.00   0.57   0.02) =   5.268%  kept
          HB    THR   77 - QB    ALA   84   4.94 +/- 1.62  30.930% *  0.3223% (0.15  1.00   0.02   0.02) =   0.390%
          HA    TRP   87 - QB    ALA   84   6.76 +/- 0.30   2.162% *  0.5808% (0.27  1.00   0.02   0.02) =   0.049%
        T HA    ASP-  44 - QB    ALA   84  13.28 +/- 1.41   0.036% *  4.1339% (0.19 10.00   0.02   0.02) =   0.006%
          HA    LEU  104 - QB    ALA   84  24.08 +/- 1.75   0.001% *  2.0159% (0.93  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  25.33 +/- 1.82   0.001% *  1.9283% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  29.31 +/- 2.47   0.000% *  1.7448% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  31.65 +/- 3.01   0.000% *  0.4651% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.37, residual support = 18.9:
      O   HN    ALA   84 - QB    ALA   84   2.03 +/- 0.06  99.973% * 98.8488% (0.30  10.0   4.37  18.90) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.91 +/- 1.11   0.024% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  15.41 +/- 2.95   0.001% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.57 +/- 0.76   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  13.60 +/- 1.31   0.001% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  17.01 +/- 1.64   0.000% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  20.01 +/- 0.91   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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   2.63 +/- 0.10  95.285% * 98.8040% (0.77   3.87  20.73) =  99.990%  kept
          HN    LEU   80 - QB    ALA   84   4.80 +/- 0.82   4.705% *  0.1970% (0.30   0.02   0.02) =   0.010%
          HN    CYS   53 - QB    ALA   84  12.33 +/- 0.99   0.010% *  0.0985% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  20.93 +/- 2.69   0.000% *  0.6382% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  22.18 +/- 2.40   0.000% *  0.2624% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.674, support = 0.921, residual support = 8.59:
          HN    ALA  124 - QB    ALA  120   3.25 +/- 0.30  78.894% * 40.8508% (0.57   0.96   1.47) =  72.431%  kept
          HN    LEU  123 - QB    ALA  120   4.10 +/- 0.19  21.105% * 58.1250% (0.94   0.83  27.31) =  27.569%  kept
          HE21  GLN   17 - QB    ALA  120  20.74 +/- 1.51   0.001% *  1.0242% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.05, residual support = 5.49:
        T HA    SER  117 - QB    ALA  120   3.21 +/- 0.39  99.948% * 99.1094% (0.54 10.00   2.05   5.49) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.08 +/- 0.78   0.016% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.47 +/- 1.57   0.009% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.46 +/- 0.63   0.024% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.40 +/- 0.69   0.001% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.17 +/- 1.11   0.002% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.00 +/- 0.83   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.17 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   2.13 +/- 0.06  99.970% * 99.3531% (0.97  10.0   4.03  18.02) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110  10.10 +/- 1.56   0.013% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.46 +/- 2.14   0.011% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.86 +/- 0.71   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.46 +/- 3.08   0.003% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.51 +/- 0.65   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  17.27 +/- 3.14   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.18 +/- 1.27   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.84 +/- 0.47   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  19.29 +/- 1.84   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  22.98 +/- 2.14   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.79 +/- 1.01   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   2.65 +/- 0.20  99.749% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   8.79 +/- 1.64   0.133% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.01 +/- 0.84   0.044% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.82 +/- 0.58   0.044% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.74 +/- 2.02   0.012% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  11.91 +/- 1.43   0.016% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  18.06 +/- 0.78   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  19.26 +/- 1.12   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 = 0.994, support = 2.78, residual support = 8.28:
          HN    ASP-  62 - QB    ALA   61   2.72 +/- 0.16  94.191% * 86.0630% (1.00   2.79   8.33) =  99.396%  kept
          HN    PHE   55 - QB    ALA  110   5.81 +/- 2.56   4.527% * 10.7713% (0.33   1.05   0.28) =   0.598%  kept
          HN    ARG+  54 - QB    ALA  110   6.92 +/- 2.71   1.103% *  0.3971% (0.64   0.02   0.02) =   0.005%
          HN    ARG+  54 - QB    ALA   61   9.12 +/- 0.54   0.070% *  0.5367% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   8.88 +/- 0.42   0.081% *  0.2774% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  11.43 +/- 1.96   0.025% *  0.4568% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  18.32 +/- 0.69   0.001% *  0.6064% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.34 +/- 1.44   0.000% *  0.4488% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.80 +/- 0.65   0.001% *  0.2543% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.28 +/- 1.23   0.000% *  0.1882% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  17.77 +/- 1.20  46.959% * 28.1529% (1.00   0.02   0.02) =  54.867%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.21 +/- 0.66  39.814% * 21.5631% (0.76   0.02   0.02) =  35.630%  kept
          HA    ALA   12 - HB2   ASP-  62  23.95 +/- 1.30   7.914% * 18.2527% (0.65   0.02   0.02) =   5.995%  kept
          HA    ASP-  86 - HB2   ASP-  62  29.95 +/- 2.47   2.572% * 19.3814% (0.69   0.02   0.02) =   2.069%  kept
          HA    TRP   87 - HB2   ASP-  62  28.81 +/- 2.15   2.741% * 12.6499% (0.45   0.02   0.02) =   1.439%  kept
    Distance limit 3.42 A violated in 20 structures by 12.14 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.07 +/- 1.09  44.870% * 10.2586% (0.98  1.00   0.02   0.02) =  43.818%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.29 +/- 0.64  41.154% *  7.8573% (0.75  1.00   0.02   0.02) =  30.782%  kept
        T HA    ASP-  86 - HB3   ASP-  62  29.70 +/- 2.43   2.815% * 70.6236% (0.67 10.00   0.02   0.02) =  18.923%  kept
          HA    ALA   12 - HB3   ASP-  62  24.05 +/- 1.21   8.130% *  6.6511% (0.63  1.00   0.02   0.02) =   5.147%  kept
          HA    TRP   87 - HB3   ASP-  62  28.59 +/- 2.03   3.032% *  4.6095% (0.44  1.00   0.02   0.02) =   1.330%  kept
    Distance limit 3.16 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 = 1.03, residual support = 3.85:
          HN    LYS+  65 - HA    ASP-  62   3.33 +/- 0.18 100.000% *100.0000% (0.15   1.03   3.85) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.01 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   2.80 +/- 0.02  99.986% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.57 +/- 0.35   0.005% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.61 +/- 0.23   0.008% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  22.41 +/- 0.65   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.23 +/- 0.87   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.15 +/- 0.60  99.852% * 98.7131% (0.97   5.24  42.46) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.38 +/- 0.48   0.127% *  0.3500% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  14.13 +/- 2.03   0.019% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  23.42 +/- 0.79   0.001% *  0.2680% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  26.14 +/- 1.06   0.000% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  28.15 +/- 3.01   0.000% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.73 +/- 0.92   0.000% *  0.0683% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.74 +/- 0.46  99.991% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.71 +/- 0.57   0.008% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  22.74 +/- 1.08   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.86 +/- 0.73   0.000% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   3.18 +/- 0.50  99.834% * 98.7131% (0.95   5.24  42.46) =  99.999%  kept
          HN    ILE   56 - HB3   ASP-  62  10.01 +/- 0.60   0.142% *  0.3500% (0.88   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   ASP-  62  13.96 +/- 1.95   0.022% *  0.2053% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.46 +/- 0.89   0.001% *  0.2680% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  25.82 +/- 1.11   0.000% *  0.2053% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  27.93 +/- 2.91   0.000% *  0.1899% (0.48   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.87 +/- 1.02   0.000% *  0.0683% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.43 +/- 0.32  99.988% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.28 +/- 0.64   0.004% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  11.99 +/- 0.60   0.008% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.97 +/- 0.94   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.03 +/- 0.92   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.962, support = 2.01, residual support = 5.02:
          QB    LYS+  66 - HA    LEU   63   3.00 +/- 0.96  89.738% * 46.9456% (1.00   1.87   5.33) =  91.156%  kept
          QB    LYS+  65 - HA    LEU   63   5.21 +/- 0.37   8.077% * 50.5262% (0.57   3.55   1.82) =   8.830%  kept
          HG    LEU  123 - HA    LEU   63   7.21 +/- 1.33   2.124% *  0.2849% (0.57   0.02   0.02) =   0.013%
          HB2   LEU   71 - HA    LEU   63  12.29 +/- 0.43   0.027% *  0.2648% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  13.47 +/- 0.53   0.014% *  0.4761% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  15.27 +/- 0.99   0.007% *  0.4514% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.19 +/- 1.26   0.004% *  0.4204% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  15.97 +/- 0.64   0.005% *  0.3457% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  17.24 +/- 1.40   0.003% *  0.2849% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.534, support = 1.57, residual support = 5.45:
          HN    LYS+  66 - HA    LEU   63   3.49 +/- 0.20  89.670% * 50.0927% (0.53   1.60   5.33) =  96.366%  kept
          QD    PHE   60 - HA    LEU   63   6.46 +/- 0.55   2.941% * 42.9530% (0.97   0.75  11.43) =   2.711%  kept
          QE    PHE   59 - HA    LEU   63   5.91 +/- 0.93   7.388% *  5.8269% (0.14   0.72   0.19) =   0.924%  kept
          HN    LYS+  81 - HA    LEU   63  26.14 +/- 1.25   0.001% *  1.1274% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.2:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.03  99.983% * 99.6457% (1.00  10.0   7.54 242.21) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  12.81 +/- 0.47   0.011% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.99 +/- 1.72   0.005% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  20.35 +/- 0.62   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  25.68 +/- 1.39   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.87 +/- 0.67   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  26.89 +/- 3.30   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 = 11.4:
        T HA    PHE   60 - HB2   LEU   63   2.47 +/- 0.36  99.762% * 98.4768% (0.49 10.00   1.50  11.43) = 100.000%  kept
          HA    LYS+  65 - HB2   LEU   63   7.66 +/- 0.14   0.154% *  0.0472% (0.18  1.00   0.02   1.82) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.45 +/- 0.90   0.030% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.54 +/- 0.66   0.013% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.31 +/- 0.68   0.009% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.58 +/- 0.61   0.009% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  10.99 +/- 0.71   0.019% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  16.62 +/- 1.75   0.002% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.56 +/- 0.63   0.001% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  24.15 +/- 1.92   0.000% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 7.31, residual support = 55.1:
          HN    ALA   64 - HB2   LEU   63   2.80 +/- 0.16 100.000% *100.0000% (0.57   7.31  55.08) = 100.000%  kept
    Distance limit 3.69 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 = 2.63, residual support = 18.6:
          QE    PHE   72 - HB2   LEU   63   3.10 +/- 0.67  99.971% * 99.3439% (0.99   2.63  18.60) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  13.64 +/- 0.69   0.026% *  0.3422% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  18.96 +/- 0.69   0.003% *  0.3138% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.9, residual support = 242.2:
      O   HN    LEU   63 - HB2   LEU   63   2.17 +/- 0.11  99.990% * 99.6457% (1.00  10.0   7.90 242.21) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  10.69 +/- 0.63   0.007% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.22 +/- 1.76   0.003% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  18.54 +/- 0.74   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  22.86 +/- 1.41   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  24.39 +/- 3.25   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.12 +/- 0.95   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.40 +/- 0.11  99.711% * 98.5492% (0.76   4.54  42.46) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.01 +/- 0.60   0.154% *  0.5094% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  13.78 +/- 0.67   0.110% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  18.08 +/- 0.82   0.022% *  0.4744% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  25.40 +/- 1.66   0.003% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.8, residual support = 55.1:
          HN    ALA   64 - HB3   LEU   63   3.43 +/- 0.32 100.000% *100.0000% (0.57   6.80  55.08) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 18.6:
        T HZ    PHE   72 - HB3   LEU   63   2.94 +/- 1.02  99.972% * 99.9822% (0.87 10.00   3.03  18.60) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.31 +/- 0.90   0.028% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.56, residual support = 242.2:
      O   HN    LEU   63 - HB3   LEU   63   3.42 +/- 0.12  99.917% * 99.6457% (1.00  10.0   7.56 242.21) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.23 +/- 0.75   0.049% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  14.04 +/- 1.68   0.026% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  18.05 +/- 0.97   0.005% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  23.57 +/- 1.69   0.001% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  24.69 +/- 3.53   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.11 +/- 1.12   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 = 7.51, residual support = 242.2:
          HN    LEU   63 - HG    LEU   63   2.91 +/- 0.40  98.871% * 98.9349% (0.76   7.51 242.21) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   7.50 +/- 1.01   1.066% *  0.0683% (0.20   0.02  11.43) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.06 +/- 0.71   0.041% *  0.2231% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.57 +/- 1.93   0.019% *  0.0959% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  19.82 +/- 1.08   0.002% *  0.3184% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  25.52 +/- 3.12   0.000% *  0.2636% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  24.30 +/- 1.56   0.000% *  0.0959% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.17, residual support = 11.4:
        T HA    PHE   60 - QD1   LEU   63   2.73 +/- 0.42  97.176% * 88.3934% (0.14 10.00   3.17  11.43) =  99.990%  kept
          HA    ALA  120 - QD1   LEU   63   7.86 +/- 1.05   0.354% *  0.6178% (0.95  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD1   LEU  104   7.01 +/- 1.46   1.470% *  0.1476% (0.23  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QD1   LEU   63   7.86 +/- 0.59   0.248% *  0.3962% (0.61  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU   63   8.83 +/- 0.63   0.142% *  0.6029% (0.92  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.26 +/- 0.64   0.092% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.50 +/- 0.26   0.137% *  0.3698% (0.57  1.00   0.02   1.82) =   0.001%
          HB    THR   94 - QD1   LEU   73   9.63 +/- 0.88   0.073% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  10.72 +/- 0.55   0.039% *  0.8839% (0.14 10.00   0.02   2.19) =   0.000%
          HA    ALA  120 - QD1   LEU  104   9.94 +/- 1.40   0.097% *  0.1512% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.20 +/- 0.60   0.028% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.15 +/- 1.05   0.059% *  0.0970% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  13.84 +/- 0.74   0.008% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.09 +/- 1.31   0.007% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  13.74 +/- 0.62   0.008% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.34 +/- 0.79   0.015% *  0.2164% (0.03 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.48 +/- 0.51   0.009% *  0.3698% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.63 +/- 0.51   0.005% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  15.55 +/- 1.92   0.005% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.04 +/- 1.10   0.003% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  15.98 +/- 0.81   0.003% *  0.3962% (0.61  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.67 +/- 1.06   0.002% *  0.6178% (0.95  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.61 +/- 0.73   0.006% *  0.1543% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.03 +/- 0.75   0.001% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.38 +/- 0.91   0.006% *  0.0905% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  19.72 +/- 1.78   0.001% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.74 +/- 0.99   0.004% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.50 +/- 1.05   0.001% *  0.1595% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.87 +/- 0.74   0.000% *  0.1387% (0.21  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  24.37 +/- 2.82   0.000% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.88, residual support = 33.8:
        T HZ3   TRP   27 - QD1   LEU   73   4.59 +/- 1.10  77.485% * 98.4449% (0.49 10.00   2.88  33.80) =  99.952%  kept
          HZ    PHE   45 - QD1   LEU   73   5.89 +/- 1.11  21.032% *  0.1469% (0.73  1.00   0.02   0.02) =   0.040%
        T HZ3   TRP   27 - QD1   LEU   63  12.02 +/- 0.90   0.412% *  0.9844% (0.49 10.00   0.02   0.02) =   0.005%
          HZ    PHE   45 - QD1   LEU   63  11.06 +/- 0.98   0.820% *  0.1469% (0.73  1.00   0.02   0.02) =   0.002%
        T HZ3   TRP   27 - QD1   LEU  104  14.09 +/- 1.60   0.117% *  0.2410% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  14.75 +/- 0.86   0.134% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 9 structures by 1.00 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.693, support = 0.972, residual support = 6.2:
          QD    PHE   60 - QD1   LEU   63   4.10 +/- 0.82  12.325% * 48.6526% (0.87   1.52  11.43) =  53.038%  kept
          QE    PHE   59 - QD1   LEU   63   2.47 +/- 0.74  86.789% *  6.0008% (0.49   0.33   0.19) =  46.064%  kept
          HN    LYS+  66 - QD1   LEU   63   6.44 +/- 0.15   0.239% * 42.0768% (0.95   1.21   5.33) =   0.888%  kept
          HN    PHE   59 - QD1   LEU   63   5.64 +/- 0.55   0.546% *  0.1290% (0.18   0.02   0.19) =   0.006%
          QD    PHE   60 - QD1   LEU   73   8.79 +/- 0.52   0.038% *  0.6392% (0.87   0.02   2.19) =   0.002%
          QE    PHE   59 - QD1   LEU   73  10.42 +/- 1.47   0.017% *  0.3587% (0.49   0.02   0.02) =   0.001%
          QE    PHE   59 - QD1   LEU  104   9.40 +/- 0.90   0.026% *  0.0878% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.33 +/- 0.37   0.003% *  0.6970% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.21 +/- 0.87   0.006% *  0.1706% (0.23   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.36 +/- 0.84   0.005% *  0.1565% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  14.73 +/- 2.32   0.002% *  0.3877% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.86 +/- 0.54   0.002% *  0.1290% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  19.54 +/- 1.35   0.000% *  0.3877% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.24 +/- 0.92   0.001% *  0.0316% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  25.72 +/- 2.49   0.000% *  0.0949% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.766, support = 6.29, residual support = 228.1:
          HN    LEU   63 - QD1   LEU   63   3.56 +/- 0.28  76.756% * 66.5564% (0.76   6.55 242.21) =  94.035%  kept
          HD21  ASN   28 - QD1   LEU   73   5.09 +/- 0.28   9.998% * 26.8919% (0.92   2.19   4.00) =   4.949%  kept
          QE    PHE   60 - QD1   LEU   63   5.67 +/- 1.06  11.581% *  4.7541% (0.20   1.81  11.43) =   1.013%  kept
          HN    ILE   56 - QD1   LEU   63   8.72 +/- 0.39   0.383% *  0.1720% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.13 +/- 0.82   0.670% *  0.0526% (0.20   0.02   2.19) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.37 +/- 1.62   0.302% *  0.0739% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   73  14.36 +/- 3.88   0.079% *  0.2031% (0.76   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.36 +/- 0.31   0.046% *  0.2031% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.05 +/- 0.78   0.016% *  0.2454% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.17 +/- 0.84   0.051% *  0.0497% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.68 +/- 0.64   0.011% *  0.1720% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  14.35 +/- 1.65   0.022% *  0.0739% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.45 +/- 1.18   0.015% *  0.0601% (0.23   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  19.63 +/- 2.73   0.004% *  0.2031% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.39 +/- 1.22   0.009% *  0.0739% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  13.08 +/- 1.23   0.035% *  0.0129% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  18.77 +/- 1.40   0.004% *  0.0739% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.12 +/- 0.75   0.005% *  0.0421% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.68 +/- 1.20   0.011% *  0.0181% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  23.20 +/- 3.64   0.002% *  0.0497% (0.19   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  24.55 +/- 2.25   0.001% *  0.0181% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.82 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.23  20.83) = 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 = 0.748, support = 2.93, residual support = 38.8:
        T QD    PHE   72 - HA    ALA   64   3.27 +/- 0.34  50.009% * 60.4788% (0.87 10.00   3.09  38.77) =  60.522%  kept
        T HZ    PHE   72 - HA    ALA   64   3.28 +/- 0.53  49.979% * 39.4733% (0.57 10.00   2.70  38.77) =  39.478%  kept
          QE    PHE   45 - HA    ALA   64  12.76 +/- 0.83   0.012% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 1.17, residual support = 3.82:
          HN    LEU   67 - HA    ALA   64   3.81 +/- 0.38  98.892% * 81.6218% (0.87   1.17   3.82) =  99.832%  kept
          QE    PHE   95 - HA    ALA   64   9.17 +/- 1.40   1.009% * 13.3787% (0.98   0.17   0.02) =   0.167%
          HN    THR   23 - HA    ALA   64  15.49 +/- 0.85   0.027% *  1.5956% (0.99   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    ALA   64  14.95 +/- 0.93   0.032% *  0.9114% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.87 +/- 0.54   0.023% *  1.0414% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  17.09 +/- 0.55   0.015% *  0.6042% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.43 +/- 1.40   0.003% *  0.8470% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.828, support = 2.19, residual support = 8.36:
          QG2   VAL   18 - QB    ALA   64   2.85 +/- 0.55  93.515% * 51.4879% (0.84   2.19   8.49) =  98.460%  kept
          QD1   ILE   19 - QB    ALA   64   6.81 +/- 1.09   4.783% *  8.5318% (0.38   0.81   0.02) =   0.834%  kept
          QD2   LEU   73 - QB    ALA   64   6.35 +/- 0.34   0.902% * 37.9274% (0.38   3.59   0.22) =   0.699%  kept
          QG2   THR   46 - QB    ALA   64   7.63 +/- 0.84   0.348% *  0.4086% (0.73   0.02   0.02) =   0.003%
          QG1   VAL   43 - QB    ALA   64   8.44 +/- 0.56   0.171% *  0.5516% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   41 - QB    ALA   64   9.55 +/- 0.54   0.081% *  0.5578% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   8.88 +/- 0.83   0.172% *  0.0986% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.79 +/- 0.86   0.009% *  0.2961% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.12 +/- 0.83   0.019% *  0.1403% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.9, support = 1.22, residual support = 6.53:
          QB    ALA   61 - QB    ALA   64   4.10 +/- 0.16  64.393% * 18.7103% (0.92   1.21   7.56) =  71.433%  kept
          HB3   LEU   67 - QB    ALA   64   5.74 +/- 0.88  11.232% * 21.0282% (0.99   1.27   3.82) =  14.003%  kept
          QG    LYS+  66 - QB    ALA   64   6.31 +/- 0.46   5.426% * 19.2502% (0.98   1.17   6.73) =   6.193%  kept
          HG    LEU   67 - QB    ALA   64   5.96 +/- 1.14  12.516% *  6.0756% (0.28   1.31   3.82) =   4.508%  kept
          HG12  ILE   19 - QB    ALA   64   6.65 +/- 0.63   4.413% *  8.7426% (0.65   0.81   0.02) =   2.287%  kept
          HG    LEU   73 - QB    ALA   64   8.25 +/- 0.53   1.055% * 25.0527% (0.87   1.73   0.22) =   1.567%  kept
          HG    LEU   40 - QB    ALA   64   9.45 +/- 0.71   0.499% *  0.1256% (0.38   0.02   0.02) =   0.004%
          QB    ALA  110 - QB    ALA   64  11.92 +/- 1.41   0.133% *  0.2429% (0.73   0.02   0.02) =   0.002%
          HB3   LEU  115 - QB    ALA   64  10.89 +/- 1.10   0.217% *  0.1256% (0.38   0.02   0.02) =   0.002%
          HG    LEU   80 - QB    ALA   64  17.12 +/- 2.15   0.017% *  0.2557% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.75 +/- 1.57   0.065% *  0.0516% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.37 +/- 1.13   0.012% *  0.2557% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  16.20 +/- 1.62   0.021% *  0.0834% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.901, support = 1.73, residual support = 4.14:
          HB3   LEU   67 - HA    ALA   64   4.51 +/- 1.06  54.488% * 38.2840% (0.99   1.77   3.82) =  77.540%  kept
          HG    LEU   67 - HA    ALA   64   4.99 +/- 1.09  31.455% * 10.4982% (0.28   1.73   3.82) =  12.275%  kept
          QG    LYS+  66 - HA    ALA   64   6.56 +/- 0.44   5.850% * 33.9972% (0.98   1.59   6.73) =   7.393%  kept
          QB    ALA   61 - HA    ALA   64   6.61 +/- 0.14   4.927% * 15.0765% (0.92   0.75   7.56) =   2.761%  kept
          HG12  ILE   19 - HA    ALA   64   8.24 +/- 1.04   1.666% *  0.2817% (0.65   0.02   0.02) =   0.017%
          HG    LEU   73 - HA    ALA   64  10.00 +/- 0.61   0.459% *  0.3778% (0.87   0.02   0.22) =   0.006%
          HG    LEU   40 - HA    ALA   64   9.39 +/- 0.92   0.918% *  0.1635% (0.38   0.02   0.02) =   0.006%
          HB3   LEU  115 - HA    ALA   64  13.16 +/- 1.40   0.103% *  0.1635% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  14.97 +/- 1.43   0.045% *  0.3163% (0.73   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   64  14.98 +/- 2.11   0.067% *  0.0672% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.07 +/- 1.44   0.011% *  0.3328% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  21.97 +/- 2.97   0.005% *  0.3328% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  20.97 +/- 2.21   0.005% *  0.1086% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.74, residual support = 38.8:
        T HB3   PHE   72 - QB    ALA   64   3.52 +/- 0.23  93.443% * 99.3598% (0.76 10.00   2.74  38.77) =  99.992%  kept
          HB2   ASP-  44 - QB    ALA   64   6.05 +/- 0.70   4.299% *  0.1128% (0.87  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - QB    ALA   64   7.39 +/- 0.78   1.581% *  0.1230% (0.95  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QB    ALA   64   9.33 +/- 0.87   0.337% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.31 +/- 0.58   0.304% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.11 +/- 0.90   0.011% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  17.49 +/- 0.98   0.007% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.34 +/- 0.60   0.010% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.04 +/- 1.70   0.009% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.6, residual support = 7.56:
        T HA    ALA   61 - QB    ALA   64   2.81 +/- 0.25  99.531% * 99.8142% (1.00 10.00   2.60   7.56) = 100.000%  kept
          HD2   PRO   68 - QB    ALA   64   7.60 +/- 0.51   0.336% *  0.0923% (0.92  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.24 +/- 0.42   0.082% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.66 +/- 0.52   0.039% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  12.83 +/- 0.75   0.013% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.49:
          HA    VAL   18 - QB    ALA   64   3.20 +/- 0.44  99.152% * 92.8641% (0.90   1.84   8.49) =  99.995%  kept
          HA    VAL   70 - QB    ALA   64   7.79 +/- 0.66   0.727% *  0.4639% (0.41   0.02   0.02) =   0.004%
          HA    GLN  116 - QB    ALA   64  11.55 +/- 0.65   0.059% *  0.4639% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  13.87 +/- 1.25   0.022% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  14.78 +/- 1.05   0.014% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  15.38 +/- 0.61   0.010% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.45 +/- 0.58   0.006% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.95 +/- 0.53   0.006% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  20.30 +/- 1.95   0.003% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  21.44 +/- 1.24   0.001% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.37 +/- 0.61  98.666% * 94.1667% (0.49 10.00   1.22   2.44) =  99.965%  kept
        T HA    VAL   42 - QB    ALA   64   8.22 +/- 0.63   0.992% *  3.1023% (0.98 10.00   0.02   0.02) =   0.033%
        T HA    PHE   55 - QB    ALA   64  12.53 +/- 0.48   0.060% *  2.1740% (0.69 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - QB    ALA   64  10.51 +/- 0.75   0.195% *  0.1301% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  13.34 +/- 2.37   0.059% *  0.1188% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.03 +/- 1.11   0.020% *  0.1541% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  17.79 +/- 0.88   0.008% *  0.1541% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.49:
          HN    VAL   18 - QB    ALA   64   3.38 +/- 0.48  99.947% * 99.5979% (1.00   2.25   8.49) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.20 +/- 0.66   0.038% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.32 +/- 0.60   0.015% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.99, residual support = 38.8:
        T QD    PHE   72 - QB    ALA   64   2.83 +/- 0.43  91.267% * 85.8580% (0.87 10.00   4.99  38.77) =  98.465%  kept
          HZ    PHE   72 - QB    ALA   64   4.43 +/- 0.39   8.680% * 14.0740% (0.57  1.00   5.02  38.77) =   1.535%  kept
          QE    PHE   45 - QB    ALA   64  10.22 +/- 0.74   0.053% *  0.0680% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.23, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.23  20.83) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 165.7:
      O   HN    LYS+  65 - HA    LYS+  65   2.82 +/- 0.04  99.996% * 99.9887% (0.71  10.0   6.09 165.66) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.19 +/- 0.76   0.004% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.86, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65   5.82 +/- 1.07  86.226% * 34.8898% (0.87   0.02   0.02) =  98.412%  kept
          HN    SER  117 - HA    LYS+ 121   8.55 +/- 0.64  13.482% *  3.1809% (0.08   0.02   0.02) =   1.403%  kept
          HN    SER  117 - HA    LYS+  65  17.66 +/- 0.97   0.177% * 28.1870% (0.71   0.02   0.02) =   0.163%
          HN    GLY   16 - HA    LYS+ 121  19.35 +/- 1.08   0.100% *  3.9373% (0.10   0.02   0.02) =   0.013%
          HN    SER   82 - HA    LYS+  65  27.84 +/- 1.44   0.010% * 26.7825% (0.67   0.02   0.02) =   0.009%
          HN    SER   82 - HA    LYS+ 121  33.39 +/- 3.72   0.005% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 19 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.74, residual support = 28.1:
          HN    LYS+  65 - QB    ALA   64   2.73 +/- 0.18 100.000% *100.0000% (0.31   4.74  28.07) = 100.000%  kept
    Distance limit 3.27 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 = 38.8:
          QE    PHE   72 - HA    ALA   64   2.78 +/- 0.32  99.999% * 99.3444% (0.65   4.06  38.77) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.39 +/- 0.63   0.001% *  0.6556% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.79, residual support = 3.85:
          HA    ASP-  62 - QB    LYS+  65   2.28 +/- 0.32  99.997% * 97.8259% (0.80   1.79   3.85) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.79 +/- 1.09   0.002% *  0.3044% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.21 +/- 0.80   0.000% *  0.7741% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  27.08 +/- 1.50   0.000% *  0.8845% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  22.70 +/- 0.68   0.000% *  0.2110% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.69, residual support = 165.7:
      O   HN    LYS+  65 - QB    LYS+  65   2.20 +/- 0.15 100.000% *100.0000% (0.76  10.0   6.69 165.66) = 100.000%  kept
    Distance limit 2.81 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 = 6.01, residual support = 26.3:
          HN    LYS+  66 - QB    LYS+  65   2.88 +/- 0.21  99.409% * 98.7228% (0.53   6.01  26.27) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.17 +/- 0.42   0.475% *  0.6023% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.13 +/- 0.54   0.116% *  0.0845% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.18 +/- 0.96   0.000% *  0.5904% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.39, residual support = 165.7:
          HN    LYS+  65 - HG2   LYS+  65   3.04 +/- 0.53 100.000% *100.0000% (0.31   5.39 165.66) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.857, support = 5.23, residual support = 160.0:
      O T HA    LYS+  65 - HG3   LYS+  65   3.15 +/- 0.56  90.538% * 57.2471% (0.87  10.0 10.00   5.27 165.66) =  96.347%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.70 +/- 0.82   5.014% * 39.1477% (0.59   1.0 10.00   4.17  11.03) =   3.649%  kept
          HA2   GLY   16 - HG3   LYS+  65   6.51 +/- 1.51   4.170% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HG3   LYS+ 102  15.32 +/- 2.07   0.014% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.68 +/- 0.74   0.056% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  19.25 +/- 1.54   0.003% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  15.26 +/- 1.65   0.010% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.83 +/- 1.29   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.25 +/- 0.68   0.111% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.38 +/- 1.48   0.018% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.05 +/- 0.73   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.17 +/- 1.55   0.002% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.53 +/- 0.94   0.005% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  23.64 +/- 1.37   0.001% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  17.59 +/- 1.64   0.005% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.49 +/- 1.26   0.000% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.34 +/- 0.59   0.015% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.66 +/- 1.51   0.003% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.10 +/- 2.30   0.004% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  18.52 +/- 2.80   0.006% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  19.19 +/- 1.55   0.003% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  24.56 +/- 2.17   0.001% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  22.99 +/- 3.84   0.002% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.32 +/- 1.21   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.64 +/- 1.32   0.001% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.53 +/- 1.38   0.003% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  25.79 +/- 3.41   0.001% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.59 +/- 0.86   0.001% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.29 +/- 1.31   0.002% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  23.24 +/- 1.86   0.001% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  28.02 +/- 1.78   0.000% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.73 +/- 2.13   0.001% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.47 +/- 0.79   0.001% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  29.27 +/- 3.61   0.000% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.96 +/- 0.90   0.002% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.60 +/- 2.07   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.41 +/- 1.24   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.67 +/- 1.55   0.000% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.49 +/- 3.20   0.000% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.98 +/- 1.76   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.87 +/- 1.48   0.000% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  31.35 +/- 2.33   0.000% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  28.50 +/- 0.87   0.000% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  31.01 +/- 1.10   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.72, residual support = 22.9:
          HN    ASP- 105 - HG3   LYS+ 106   4.02 +/- 0.25  98.632% * 91.2636% (0.34   2.72  22.95) =  99.981%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.17 +/- 1.33   1.299% *  1.3012% (0.65   0.02   0.02) =   0.019%
          HN    ASP- 105 - HG3   LYS+  65  19.10 +/- 0.99   0.009% *  1.5989% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  19.01 +/- 0.82   0.010% *  1.3808% (0.69   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  15.80 +/- 1.15   0.032% *  0.3081% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  23.00 +/- 2.33   0.004% *  0.4745% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.12 +/- 0.83   0.010% *  0.1293% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  28.84 +/- 3.71   0.001% *  0.9763% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  30.50 +/- 1.79   0.001% *  1.1305% (0.57   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  30.65 +/- 2.62   0.001% *  0.9200% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  29.43 +/- 1.19   0.001% *  0.2661% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.07 +/- 1.24   0.001% *  0.2507% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.07, residual support = 116.1:
      O   HN    LYS+  66 - HA    LYS+  66   2.84 +/- 0.07  99.907% * 99.6126% (0.53  10.0   5.07 116.05) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.20 +/- 0.63   0.050% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.59 +/- 0.82   0.043% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.75 +/- 1.12   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.03, residual support = 116.1:
      O   HN    LYS+  66 - QB    LYS+  66   2.36 +/- 0.28  99.832% * 99.6126% (0.53  10.0   5.03 116.05) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.23 +/- 0.71   0.062% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.76 +/- 1.24   0.106% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  25.94 +/- 1.00   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.59, residual support = 116.0:
          HN    LYS+  66 - QG    LYS+  66   2.95 +/- 0.52  92.052% * 98.1762% (0.53   4.59 116.05) =  99.995%  kept
          HN    LYS+  66 - HG    LEU   67   5.65 +/- 1.00   7.083% *  0.0329% (0.04   0.02  11.16) =   0.003%
          QD    PHE   60 - QG    LYS+  66   8.82 +/- 0.74   0.154% *  0.7842% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   8.24 +/- 1.38   0.394% *  0.1100% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   9.44 +/- 1.08   0.173% *  0.0604% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   9.91 +/- 1.29   0.144% *  0.0085% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  26.61 +/- 1.21   0.000% *  0.7687% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  27.79 +/- 2.09   0.000% *  0.0592% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.73, residual support = 116.0:
          HN    LYS+  66 - QD    LYS+  66   3.76 +/- 0.68  94.756% * 98.1343% (0.53   4.73 116.05) =  99.995%  kept
          QD    PHE   60 - QD    LYS+  66   9.58 +/- 1.11   0.387% *  0.7609% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   8.97 +/- 1.45   0.910% *  0.1067% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.12 +/- 0.75   3.761% *  0.0133% (0.02   0.02   0.02) =   0.001%
          QD    PHE   60 - HD2   LYS+ 121  13.23 +/- 1.26   0.083% *  0.0946% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.10 +/- 1.77   0.100% *  0.0516% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  27.39 +/- 1.42   0.001% *  0.7459% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  30.75 +/- 2.96   0.001% *  0.0927% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.24, residual support = 60.4:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.722% * 46.3097% (0.47  10.0 10.00   3.05  60.38) =  90.910%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.68 +/- 0.25   8.170% * 51.9824% (0.53  10.0  1.00   5.15  60.38) =   9.090%  kept
        T HG    LEU   40 - HB2   LEU   67   7.60 +/- 1.39   0.033% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.12 +/- 0.43   0.059% *  0.0598% (0.61   1.0  1.00   0.02  11.16) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.18 +/- 1.40   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.84 +/- 0.86   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.17 +/- 0.70   0.001% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67   9.43 +/- 1.53   0.006% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.55 +/- 1.27   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.82 +/- 1.05   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  17.31 +/- 1.90   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  16.43 +/- 1.41   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  24.32 +/- 3.60   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 = 60.4:
      O T QD1   LEU   67 - HB2   LEU   67   2.27 +/- 0.12  99.700% * 98.6993% (0.70  10.0 10.00   3.31  60.38) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.20 +/- 1.25   0.169% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   LEU   67   7.41 +/- 0.82   0.120% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  12.94 +/- 1.80   0.005% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.29 +/- 1.19   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.08 +/- 0.91   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.15 +/- 1.47   0.003% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.4:
          HA    LEU   67 - QD2   LEU   67   2.60 +/- 0.58  99.996% * 98.8214% (0.53   2.76  60.38) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.12 +/- 1.40   0.004% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.23, residual support = 60.4:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  97.735% * 96.8242% (0.73  10.0  1.00   3.23  60.38) =  99.991%  kept
        T HG    LEU   40 - QD1   LEU   67   5.95 +/- 1.86   0.864% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   40 - QD1   LEU   67   5.57 +/- 1.59   1.323% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - QD1   LEU   67  10.58 +/- 2.17   0.017% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  11.95 +/- 1.60   0.004% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.11 +/- 1.23   0.022% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   9.50 +/- 1.83   0.022% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  11.54 +/- 1.68   0.005% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  11.83 +/- 1.68   0.005% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.63 +/- 2.41   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 60.4:
      O T HB2   LEU   67 - QD1   LEU   67   2.27 +/- 0.12  99.009% * 98.3333% (0.31  10.0 10.00   3.31  60.38) =  99.998%  kept
          HB    ILE   19 - QD1   LEU   67   8.25 +/- 2.27   0.363% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU   67   7.09 +/- 0.37   0.121% *  0.2941% (0.92   1.0  1.00   0.02  17.20) =   0.000%
          QB    GLU-  15 - QD1   LEU   67   7.63 +/- 1.74   0.260% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   9.04 +/- 2.77   0.234% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.55 +/- 1.60   0.005% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.13 +/- 1.75   0.004% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.42 +/- 0.89   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  15.93 +/- 2.44   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  18.23 +/- 1.61   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.28, residual support = 60.4:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.01  94.149% * 99.2738% (0.87  10.0  1.00   2.28  60.38) =  99.982%  kept
        T QD1   LEU   40 - HG    LEU   67   5.23 +/- 1.79   2.425% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.018%
          QD2   LEU   67 - QG    LYS+  66   5.00 +/- 1.33   1.995% *  0.0076% (0.07   1.0  1.00   0.02  11.16) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   5.11 +/- 1.22   1.362% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.85 +/- 1.73   0.037% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.35 +/- 1.01   0.031% *  0.0053% (0.05   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.362, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.36 +/- 2.17  93.089% * 12.0360% (0.22   0.02   0.02) =  78.312%  kept
          QG2   ILE   89 - QD1   LEU   67  16.01 +/- 1.68   3.806% * 52.9912% (0.98   0.02   0.02) =  14.096%  kept
          QG1   VAL   83 - QD1   LEU   67  16.99 +/- 2.37   3.106% * 34.9728% (0.65   0.02   0.02) =   7.591%  kept
    Distance limit 3.09 A violated in 20 structures by 4.14 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.883, support = 3.62, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   3.09 +/- 0.79  64.863% * 75.7718% (0.97 10.00   3.99  35.23) =  85.252%  kept
        T QD    PHE   72 - QD1   LEU   67   4.02 +/- 1.27  35.120% * 24.2087% (0.41 10.00   1.50  35.23) =  14.748%  kept
          QE    PHE   45 - QD1   LEU   67  11.60 +/- 0.79   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 = 4.11, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   2.99 +/- 0.49  99.725% * 99.2723% (0.80   4.11  35.23) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.58 +/- 0.83   0.267% *  0.1863% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  15.61 +/- 1.22   0.008% *  0.5414% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.509, support = 0.0199, residual support = 0.0199:
        T HA    LEU  115 - HG    LEU   67  14.54 +/- 2.08   6.251% * 15.7849% (0.20 10.00   0.02   0.02) =  34.003%  kept
          HA    ALA  124 - HG    LEU   67  13.53 +/- 2.33  11.043% *  6.6623% (0.84  1.00   0.02   0.02) =  25.354%  kept
        T HA    ARG+  54 - HG    LEU   67  19.30 +/- 1.04   1.183% * 57.9196% (0.73 10.00   0.02   0.02) =  23.617%  kept
          HA    ALA  124 - QG    LYS+  66  10.15 +/- 1.15  47.309% *  0.5129% (0.06  1.00   0.02   0.02) =   8.362%  kept
          HA    GLU-  36 - HG    LEU   67  18.27 +/- 1.82   2.049% *  7.5452% (0.95  1.00   0.02   0.02) =   5.328%  kept
          HA    LEU  115 - QG    LYS+  66  11.65 +/- 1.56  23.300% *  0.1215% (0.02  1.00   0.02   0.02) =   0.976%  kept
          HA    ARG+  54 - QG    LYS+  66  15.05 +/- 1.16   6.010% *  0.4459% (0.06  1.00   0.02   0.02) =   0.924%  kept
          HA    ASN   28 - HG    LEU   67  18.71 +/- 1.03   1.506% *  1.7758% (0.22  1.00   0.02   0.02) =   0.922%  kept
          HA    LYS+  81 - HG    LEU   67  28.37 +/- 1.72   0.129% *  7.9057% (0.99  1.00   0.02   0.02) =   0.351%
          HA    GLU-  36 - QG    LYS+  66  21.88 +/- 1.41   0.522% *  0.5808% (0.07  1.00   0.02   0.02) =   0.105%
          HA    LYS+  81 - QG    LYS+  66  26.87 +/- 1.01   0.156% *  0.6086% (0.08  1.00   0.02   0.02) =   0.033%
          HA    ASN   28 - QG    LYS+  66  21.62 +/- 0.68   0.541% *  0.1367% (0.02  1.00   0.02   0.02) =   0.025%
    Distance limit 3.89 A violated in 20 structures by 5.02 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.82, residual support = 60.4:
      O   HA    LEU   67 - HG    LEU   67   3.31 +/- 0.48  94.510% * 99.3233% (0.15  10.0   3.82  60.38) = 100.000%  kept
          HA    LEU   67 - QG    LYS+  66   5.71 +/- 0.48   5.483% *  0.0076% (0.01   1.0   0.02  11.16) =   0.000%
          HA    ASP-  76 - HG    LEU   67  19.62 +/- 1.28   0.004% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  18.87 +/- 0.83   0.003% *  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 = 0.282, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HG    LEU   67   9.44 +/- 1.08  30.768% *  5.4059% (0.18   0.02   0.02) =  49.966%  kept
          QE    PHE   95 - HG    LEU   67  11.89 +/- 1.11   7.663% * 11.5851% (0.38   0.02   0.02) =  26.669%  kept
          HE3   TRP   27 - HG    LEU   67  17.06 +/- 1.32   0.790% * 26.7757% (0.87   0.02   0.02) =   6.358%  kept
          QD    PHE   60 - QG    LYS+  66   8.82 +/- 0.74  39.519% *  0.4162% (0.01   0.02   0.02) =   4.940%  kept
          QE    PHE   95 - QG    LYS+  66  10.51 +/- 1.22  16.559% *  0.8918% (0.03   0.02   0.02) =   4.436%  kept
          QD    PHE   55 - HG    LEU   67  18.32 +/- 1.22   0.506% * 24.7171% (0.80   0.02   0.02) =   3.760%  kept
          HN    THR   23 - HG    LEU   67  18.58 +/- 1.72   0.539% * 10.5293% (0.34   0.02   0.02) =   1.705%  kept
          QD    PHE   55 - QG    LYS+  66  13.65 +/- 1.02   2.931% *  1.9027% (0.06   0.02   0.02) =   1.675%  kept
          HE3   TRP   27 - QG    LYS+  66  19.25 +/- 1.02   0.354% *  2.0612% (0.07   0.02   0.02) =   0.219%
          HN    LYS+  81 - HG    LEU   67  27.79 +/- 2.09   0.045% * 13.8391% (0.45   0.02   0.02) =   0.188%
          HN    THR   23 - QG    LYS+  66  20.05 +/- 0.78   0.274% *  0.8106% (0.03   0.02   0.02) =   0.067%
          HN    LYS+  81 - QG    LYS+  66  26.61 +/- 1.21   0.051% *  1.0653% (0.03   0.02   0.02) =   0.016%
    Distance limit 3.68 A violated in 20 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.05, residual support = 60.4:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.904% * 95.9469% (0.29  10.0 10.00   3.05  60.38) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.03 +/- 0.55   0.074% *  0.2870% (0.87   1.0  1.00   0.02  17.20) =   0.000%
        T HB    ILE   19 - HB3   LEU   67   9.83 +/- 1.53   0.005% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   8.04 +/- 0.87   0.014% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.88 +/- 1.34   0.002% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.29 +/- 1.18   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.87 +/- 1.24   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.94 +/- 0.99   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.37 +/- 2.18   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  22.29 +/- 1.36   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  19.29 +/- 1.46 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.59 A violated in 20 structures by 15.71 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.99, residual support = 60.4:
      O   HN    LEU   67 - HB3   LEU   67   3.57 +/- 0.30  99.778% * 99.4441% (0.54  10.0   4.99  60.38) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.70 +/- 1.83   0.202% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.96 +/- 1.42   0.006% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.82 +/- 1.03   0.005% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  17.99 +/- 1.55   0.008% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  26.35 +/- 1.79   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 60.4:
      O   HA    LEU   67 - HB2   LEU   67   2.83 +/- 0.19  99.999% * 99.8354% (0.38  10.0   5.04  60.38) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.42 +/- 1.08   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 = 3.06, residual support = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.68 +/- 0.64  99.952% * 99.0268% (0.58   3.06  35.23) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.58 +/- 0.89   0.046% *  0.2492% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  18.79 +/- 1.22   0.002% *  0.7240% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 60.4:
      O   HN    LEU   67 - HB2   LEU   67   2.69 +/- 0.28  99.951% * 99.6033% (0.70  10.0   4.99  60.38) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.90 +/- 1.52   0.041% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  17.61 +/- 1.09   0.002% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  18.81 +/- 0.91   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  16.24 +/- 1.09   0.003% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.65 +/- 1.34   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.56 +/- 0.71   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  25.29 +/- 1.66   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   3.05 +/- 0.68  99.988% * 99.9822% (0.63 10.00   2.96  35.23) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.30 +/- 1.13   0.012% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.67, residual support = 61.9:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.26  91.192% * 82.3820% (0.57  10.0 10.00   3.64  62.34) =  98.116%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.92 +/- 0.12   8.802% * 16.3856% (0.11  10.0  1.00   5.39  36.49) =   1.884%  kept
          HA    LYS+  38 - HB2   PRO   68  14.46 +/- 1.42   0.004% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  21.38 +/- 1.39   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  18.86 +/- 1.31   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  22.53 +/- 1.59   0.000% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.15, residual support = 62.3:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.984% * 98.0584% (0.63  10.0 10.00   3.15  62.34) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.44 +/- 0.52   0.004% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.22 +/- 0.22   0.008% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.34 +/- 1.17   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.88 +/- 1.67   0.001% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  15.81 +/- 1.53   0.001% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.23 +/- 1.03   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.53 +/- 1.38   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.29 +/- 0.74   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.15 +/- 1.70   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  25.02 +/- 1.83   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.86 +/- 2.25   0.000% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.34, support = 6.21, residual support = 34.5:
      O   HN    ASN   69 - HB2   PRO   68   2.91 +/- 0.51  77.018% * 70.2037% (0.34  10.0   6.26  34.80) =  93.034%  kept
          HN    GLU-  25 - HB    VAL   24   3.74 +/- 0.50  20.963% * 18.3578% (0.31   1.0   5.89  31.68) =   6.622%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.18   1.821% * 10.9891% (0.66   1.0   1.64  12.57) =   0.344%
          HN    ASP-  44 - HB    VAL   24   9.12 +/- 1.20   0.194% *  0.0677% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.79 +/- 0.84   0.003% *  0.0831% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.38 +/- 1.08   0.001% *  0.1648% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  21.79 +/- 1.72   0.001% *  0.0572% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  24.14 +/- 1.28   0.000% *  0.0766% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.33, residual support = 62.3:
      O   HN    VAL   24 - HB    VAL   24   2.39 +/- 0.13 100.000% * 99.8774% (0.33  10.0   4.33  62.34) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.26 +/- 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 = 3.28, residual support = 36.5:
      O   HD3   PRO   68 - HG2   PRO   68   2.72 +/- 0.28  99.997% * 99.5120% (0.57  10.0   3.28  36.49) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  17.24 +/- 0.88   0.002% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.88 +/- 0.70   0.000% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.90 +/- 1.04   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  26.32 +/- 1.52   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  26.03 +/- 0.99   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 3.02, residual support = 36.5:
      O   HD2   PRO   68 - HG2   PRO   68   2.48 +/- 0.27  99.990% * 99.8205% (0.63  10.0   3.02  36.49) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  13.23 +/- 0.73   0.006% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  14.38 +/- 1.68   0.004% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  21.82 +/- 1.26   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  19.32 +/- 0.75   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.769, support = 4.79, residual support = 51.4:
      O   HD3   PRO   68 - HG3   PRO   68   2.47 +/- 0.27  69.117% * 72.5183% (0.84  10.0  1.00   4.82  36.49) =  88.334%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.90 +/- 0.12  28.337% * 23.1161% (0.27  10.0 10.00   4.65 165.89) =  11.544%  kept
          QB    PHE   55 - HG2   ARG+  54   5.76 +/- 1.11   2.188% *  3.1569% (0.20   1.0  1.00   3.57   3.93) =   0.122%
          HB3   CYS   53 - HG2   ARG+  54   6.33 +/- 0.65   0.325% *  0.0227% (0.26   1.0  1.00   0.02  31.90) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54  10.17 +/- 1.21   0.020% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.49 +/- 0.77   0.013% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.64 +/- 1.88   0.000% *  0.8663% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.70 +/- 0.98   0.001% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.34 +/- 0.86   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.53 +/- 1.17   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.77 +/- 1.05   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.83 +/- 1.22   0.000% *  0.0194% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.54, residual support = 36.5:
      O   HD2   PRO   68 - HG3   PRO   68   2.70 +/- 0.26  99.631% * 99.5569% (0.92  10.0  1.00   4.54  36.49) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.55 +/- 0.81   0.333% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.70 +/- 1.14   0.013% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.49 +/- 1.54   0.004% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.12 +/- 0.88   0.016% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  22.33 +/- 1.23   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.65 +/- 0.97   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  21.81 +/- 1.51   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.39 +/- 1.25   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.32 +/- 1.03   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 4.92, residual support = 36.5:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.636% * 98.5022% (0.98  10.0 10.00   4.92  36.49) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   3.76 +/- 0.35   1.152% *  0.0070% (0.07   1.0  1.00   0.02  40.28) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.00 +/- 0.24   0.190% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.92 +/- 0.97   0.002% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.51 +/- 0.85   0.010% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.28 +/- 0.40   0.009% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  15.39 +/- 1.02   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  24.21 +/- 1.16   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  17.01 +/- 0.76   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  20.31 +/- 0.89   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.17 +/- 1.34   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.80 +/- 1.55   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 = 4.92, residual support = 36.5:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.996% * 99.4504% (0.92  10.0 10.00   4.92  36.49) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  11.22 +/- 0.68   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.92 +/- 0.97   0.002% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  17.01 +/- 0.76   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  14.89 +/- 1.46   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.19 +/- 0.81   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  24.21 +/- 1.16   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  20.85 +/- 1.39   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.19 +/- 0.68   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.91 +/- 0.62   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.19, residual support = 17.2:
      O   HA    LEU   67 - HD3   PRO   68   2.17 +/- 0.18  99.993% * 99.7870% (0.53  10.0   5.19  17.20) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.02 +/- 1.01   0.007% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.04 +/- 0.84   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.44 +/- 0.92   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 = 4.27, residual support = 17.2:
      O   HA    LEU   67 - HD2   PRO   68   2.26 +/- 0.09  99.998% * 99.8155% (0.53  10.0   4.27  17.20) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.25 +/- 0.86   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.67 +/- 0.65   0.001% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.97 +/- 0.64   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 = 60.1:
      O   HD21  ASN   69 - HB2   ASN   69   2.86 +/- 0.52  99.923% * 99.5864% (0.65  10.0   3.63  60.05) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.14 +/- 0.91   0.074% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.64 +/- 0.51   0.003% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  32.81 +/- 2.72   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  33.79 +/- 4.68   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  29.95 +/- 1.20   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.57, residual support = 60.1:
      O   HN    ASN   69 - HB2   ASN   69   3.40 +/- 0.49  99.957% * 99.9414% (0.97  10.0   5.57  60.05) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  13.47 +/- 0.98   0.039% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.18 +/- 1.03   0.004% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 3.59, residual support = 60.1:
      O   HD21  ASN   69 - HB3   ASN   69   3.14 +/- 0.55  99.791% * 99.7810% (0.99  10.0   3.59  60.05) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69   9.85 +/- 0.95   0.209% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  33.26 +/- 2.65   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  34.30 +/- 4.64   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 = 5.06, residual support = 60.1:
      O   HN    ASN   69 - HB3   ASN   69   2.93 +/- 0.37  99.988% * 99.9414% (0.97  10.0   5.06  60.05) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.41 +/- 1.19   0.011% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  19.96 +/- 0.96   0.001% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 60.0:
          HD21  ASN   69 - HA    ASN   69   3.56 +/- 0.57  98.401% * 89.7737% (0.20   3.07  60.05) =  99.981%  kept
          HN    GLN   17 - HA    ASN   69   7.75 +/- 0.94   1.574% *  1.0090% (0.34   0.02   0.02) =   0.018%
          HN    ALA   61 - HA    ASN   69  16.02 +/- 0.54   0.015% *  2.3686% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  17.72 +/- 0.86   0.009% *  1.1102% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  28.60 +/- 1.04   0.000% *  2.1480% (0.73   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  32.74 +/- 4.59   0.000% *  2.9319% (0.99   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  31.54 +/- 2.61   0.000% *  0.6586% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  18.87 +/- 1.88 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 20 structures by 15.35 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.307, support = 0.0198, residual support = 0.0198:
          QG2   THR   77 - HA    SER   48   5.34 +/- 1.46  72.004% *  1.9923% (0.23  1.00   0.02   0.02) =  52.338%  kept
        T QB    ALA   88 - HB2   SER   82  10.87 +/- 0.74   1.380% * 37.0886% (0.42 10.00   0.02   0.02) =  18.670%  kept
          HG2   LYS+  99 - HA    VAL   70   8.35 +/- 0.75   8.951% *  3.6274% (0.41  1.00   0.02   0.02) =  11.846%  kept
          QG2   THR   77 - HB2   SER   82  10.29 +/- 1.74   5.290% *  4.2379% (0.48  1.00   0.02   0.02) =   8.180%  kept
          QG2   THR   23 - HB2   SER   82   9.51 +/- 2.88   8.715% *  0.9519% (0.11  1.00   0.02   0.02) =   3.027%  kept
          HG2   LYS+  38 - HA    VAL   70  10.61 +/- 1.73   1.614% *  4.6421% (0.53  1.00   0.02   0.02) =   2.734%  kept
        T QB    ALA   88 - HA    SER   48  12.79 +/- 1.84   0.384% * 17.4364% (0.20 10.00   0.02   0.02) =   2.441%  kept
          QG2   THR   77 - HA    VAL   70  17.91 +/- 0.82   0.081% *  8.7452% (0.99  1.00   0.02   0.02) =   0.257%
          HB2   LEU   31 - HA    VAL   70  13.45 +/- 0.49   0.423% *  1.3614% (0.15  1.00   0.02   0.02) =   0.210%
          QG2   THR   23 - HA    SER   48  13.16 +/- 1.68   0.844% *  0.4475% (0.05  1.00   0.02   0.02) =   0.138%
          QG2   THR   23 - HA    VAL   70  16.38 +/- 0.69   0.127% *  1.9644% (0.22  1.00   0.02   0.02) =   0.091%
          QB    ALA   88 - HA    VAL   70  25.70 +/- 1.95   0.008% *  7.6536% (0.87  1.00   0.02   0.02) =   0.023%
          HB2   LEU   31 - HB2   SER   82  21.87 +/- 5.62   0.069% *  0.6597% (0.07  1.00   0.02   0.02) =   0.017%
          HG2   LYS+ 111 - HA    SER   48  18.61 +/- 1.85   0.059% *  0.3978% (0.05  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HA    VAL   70  23.86 +/- 2.19   0.013% *  1.7461% (0.20  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  26.33 +/- 4.16   0.014% *  0.8462% (0.10  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HB2   SER   82  31.19 +/- 4.80   0.004% *  1.7578% (0.20  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB2   SER   82  32.32 +/- 5.11   0.003% *  2.2495% (0.25  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    SER   48  28.93 +/- 0.83   0.004% *  0.8264% (0.09  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    SER   48  25.12 +/- 1.40   0.010% *  0.3102% (0.04  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    SER   48  32.29 +/- 0.83   0.002% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 14 structures by 1.60 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 32.8:
      O   HN    LEU   71 - HA    VAL   70   2.29 +/- 0.03  99.993% * 99.7573% (0.87  10.0   5.31  32.76) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  14.42 +/- 3.91   0.005% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.20 +/- 0.75   0.001% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  22.11 +/- 1.02   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.41 +/- 0.89   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  25.93 +/- 3.61   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.42 +/- 1.33   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.72 +/- 1.34   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.71 +/- 1.01   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  29.06 +/- 4.15   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.39 +/- 1.68   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  29.57 +/- 3.86   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.959, support = 3.3, residual support = 35.3:
        T HZ    PHE   72 - HB    VAL   70   3.90 +/- 1.07  44.984% * 95.0245% (1.00 10.00   3.30  35.30) =  94.375%  kept
          QD    PHE   72 - HB    VAL   70   3.82 +/- 0.75  53.361% *  4.7737% (0.31  1.00   3.25  35.30) =   5.624%  kept
        T HZ    PHE   72 - QG    GLN   17   9.74 +/- 0.72   0.177% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.98 +/- 0.79   1.439% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.92 +/- 0.74   0.021% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.51 +/- 0.99   0.018% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.3, residual support = 35.3:
          QE    PHE   72 - HB    VAL   70   2.45 +/- 0.60  99.725% * 98.5990% (0.73   3.30  35.30) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   7.97 +/- 0.78   0.240% *  0.1111% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  11.16 +/- 0.91   0.022% *  0.3090% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.23 +/- 0.77   0.010% *  0.0574% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.86 +/- 0.86   0.001% *  0.7788% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.54 +/- 1.65   0.002% *  0.1447% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.4:
      O   HN    VAL   70 - HB    VAL   70   2.62 +/- 0.27  99.830% * 99.9336% (0.76  10.0   4.31  81.43) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.52 +/- 1.12   0.168% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.06 +/- 1.34   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.47 +/- 0.66   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 81.4:
          HN    VAL   70 - QG1   VAL   70   2.50 +/- 0.46  99.995% * 98.2767% (0.28   4.82  81.43) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.39 +/- 0.56   0.004% *  0.5499% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.65 +/- 1.03   0.001% *  1.1733% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 1.25, residual support = 1.15:
          HN    VAL   42 - QG2   VAL   70   3.71 +/- 0.33  90.503% * 57.3054% (0.52   1.27   1.21) =  95.216%  kept
          HN    LEU   73 - QG2   VAL   70   5.90 +/- 0.21   6.195% * 41.3465% (0.52   0.92   0.02) =   4.703%  kept
          HN    ILE   19 - QG2   VAL   70   6.62 +/- 0.41   3.302% *  1.3481% (0.77   0.02   0.02) =   0.082%
    Distance limit 3.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.495, support = 4.66, residual support = 35.2:
        T HB3   LEU   40 - QG2   VAL   70   2.18 +/- 0.62  73.058% * 28.4873% (0.33 10.00   3.99  35.25) =  64.445%  kept
        T HG    LEU   40 - QG2   VAL   70   3.21 +/- 0.59  16.548% * 69.1395% (0.80 10.00   5.89  35.25) =  35.428%  kept
          HB3   LEU   67 - QG2   VAL   70   3.38 +/- 0.57   6.631% *  0.5756% (0.22  1.00   0.60   0.41) =   0.118%
          HG    LEU   67 - QG2   VAL   70   4.48 +/- 1.01   3.637% *  0.0687% (0.79  1.00   0.02   0.41) =   0.008%
        T HG    LEU   73 - QG2   VAL   70   6.90 +/- 0.66   0.071% *  0.4483% (0.52 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - QG2   VAL   70  12.31 +/- 0.82   0.002% *  0.6914% (0.80 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   7.97 +/- 0.53   0.031% *  0.0311% (0.36  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.04 +/- 1.14   0.002% *  0.4483% (0.52 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.65 +/- 1.07   0.007% *  0.0448% (0.52  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.30 +/- 0.73   0.004% *  0.0530% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.25 +/- 0.40   0.010% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.604, support = 2.63, residual support = 35.3:
        T QD    PHE   72 - QG2   VAL   70   2.69 +/- 0.52  66.884% * 53.1587% (0.64 10.00   1.84  35.30) =  69.661%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.22 +/- 0.46  33.089% * 46.7974% (0.52 10.00   4.44  35.30) =  30.339%  kept
          QE    PHE   45 - QG2   VAL   70  10.18 +/- 0.56   0.027% *  0.0439% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.44, residual support = 35.3:
          QE    PHE   72 - QG2   VAL   70   2.16 +/- 0.42  99.995% * 99.6110% (0.80   4.44  35.30) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.15 +/- 0.66   0.004% *  0.1530% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.74 +/- 0.46   0.001% *  0.2360% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.46, residual support = 32.8:
          HN    LEU   71 - QG2   VAL   70   2.23 +/- 0.15  99.979% * 99.3870% (0.76   6.46  32.76) = 100.000%  kept
          HN    PHE   60 - QG2   VAL   70  10.28 +/- 0.54   0.013% *  0.0440% (0.11   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   VAL   70  11.88 +/- 0.75   0.005% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.83 +/- 0.77   0.002% *  0.1711% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.00 +/- 0.86   0.001% *  0.3076% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.662, support = 2.02, residual support = 35.3:
        T HZ    PHE   72 - QG1   VAL   70   3.86 +/- 0.64  56.102% * 87.8457% (0.65 10.00   2.00  35.30) =  90.304%  kept
          QD    PHE   72 - QG1   VAL   70   4.13 +/- 1.22  43.834% * 12.0720% (0.80  1.00   2.22  35.30) =   9.696%  kept
          QE    PHE   45 - QG1   VAL   70  12.21 +/- 0.66   0.064% *  0.0824% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 3.04:
          HA    VAL   41 - HB2   LEU   71   3.40 +/- 0.99  99.890% * 95.8609% (0.92   0.75   3.04) =  99.998%  kept
          HA    HIS  122 - HB2   LEU   71  14.41 +/- 1.50   0.058% *  2.6725% (0.97   0.02   0.02) =   0.002%
          HA    PHE   45 - HB2   LEU   71  14.30 +/- 0.76   0.047% *  1.0393% (0.38   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LEU   71  21.94 +/- 0.83   0.004% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 2 structures by 0.26 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.38, residual support = 138.7:
      O   HN    LEU   71 - HB2   LEU   71   2.64 +/- 0.41  99.994% * 99.8011% (0.95  10.0   6.38 138.70) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  15.60 +/- 0.65   0.004% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.04 +/- 0.72   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.20 +/- 0.89   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  18.78 +/- 0.87   0.001% *  0.0293% (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 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.3, residual support = 138.7:
      O   HN    LEU   71 - HB3   LEU   71   3.09 +/- 0.65  99.984% * 99.8011% (0.95  10.0   6.30 138.70) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.66 +/- 0.75   0.011% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.55 +/- 0.94   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.22 +/- 0.87   0.003% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.35 +/- 0.77   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 138.7:
      O   HB2   LEU   71 - HG    LEU   71   2.47 +/- 0.11  98.095% * 99.3720% (0.97  10.0   4.92 138.70) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.31 +/- 1.19   0.428% *  0.0501% (0.49   1.0   0.02   3.04) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   6.10 +/- 1.07   0.798% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.69 +/- 1.29   0.605% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  11.30 +/- 1.38   0.016% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.46 +/- 0.92   0.004% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.65 +/- 0.89   0.006% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.69 +/- 1.16   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.34 +/- 0.97   0.013% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.86 +/- 0.77   0.017% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.60 +/- 1.18   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.21 +/- 0.74   0.007% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  22.22 +/- 1.45   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.63 +/- 2.38   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  17.65 +/- 0.80   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.02 +/- 1.09   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.06 +/- 1.04   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  19.09 +/- 2.41   0.001% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.99 +/- 1.65   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.31 +/- 1.54   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.79, residual support = 138.7:
          HN    LEU   71 - QD2   LEU   71   3.61 +/- 0.35  99.725% * 99.7051% (0.87   6.79 138.70) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  10.97 +/- 1.19   0.266% *  0.0844% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.83 +/- 0.76   0.003% *  0.1647% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.77 +/- 0.68   0.006% *  0.0458% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.34, residual support = 19.5:
          HN    PHE   72 - QD2   LEU   71   3.31 +/- 0.16  99.970% * 99.5713% (0.73   5.34  19.45) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.87 +/- 0.54   0.030% *  0.4287% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.07, residual support = 40.1:
      O   HN    LEU   73 - HA    PHE   72   2.32 +/- 0.04  71.820% * 93.9646% (0.61  10.0   5.16  40.89) =  97.694%  kept
          HN    VAL   42 - HA    PHE   72   2.80 +/- 0.30  26.898% *  5.9209% (0.61   1.0   1.26   4.62) =   2.306%  kept
          HN    ILE   19 - HA    PHE   72   4.57 +/- 0.21   1.280% *  0.0206% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.87 +/- 0.54   0.002% *  0.0940% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.11, residual support = 90.8:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.976% * 99.9786% (0.71  10.0   5.11  90.77) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.81 +/- 0.40   0.024% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.374, support = 2.48, residual support = 40.7:
          HG    LEU   73 - HA    PHE   72   4.10 +/- 0.77  75.916% * 69.3169% (0.37   2.51  40.89) =  98.397%  kept
          HB3   LEU   67 - HA    PHE   72   7.45 +/- 1.23   2.765% * 23.1507% (0.66   0.47  35.23) =   1.197%  kept
          HG12  ILE   19 - HA    PHE   72   6.24 +/- 1.34  18.652% *  1.0939% (0.74   0.02   0.02) =   0.382%
          HB3   LYS+  74 - HA    PHE   72   7.94 +/- 0.64   1.282% *  0.4660% (0.31   0.02   0.02) =   0.011%
          QB    ALA   61 - HA    PHE   72  10.00 +/- 0.33   0.288% *  1.0939% (0.74   0.02   0.02) =   0.006%
          QB    LEU   98 - HA    PHE   72   8.37 +/- 0.64   0.872% *  0.2243% (0.15   0.02   0.02) =   0.004%
          QG    LYS+  66 - HA    PHE   72  11.59 +/- 0.51   0.119% *  0.7786% (0.52   0.02   0.12) =   0.002%
          QB    ALA  110 - HA    PHE   72  15.12 +/- 1.18   0.026% *  1.1235% (0.76   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    PHE   72  18.17 +/- 4.04   0.017% *  1.1310% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.89 +/- 2.16   0.029% *  0.5082% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   72  17.44 +/- 3.01   0.016% *  0.6875% (0.46   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  15.83 +/- 0.68   0.018% *  0.4254% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 4 structures by 0.60 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.59, residual support = 40.9:
          QD2   LEU   73 - HB2   PHE   72   4.29 +/- 0.14  94.064% * 98.9715% (0.82   5.59  40.89) =  99.993%  kept
          QG1   VAL   43 - HB2   PHE   72   7.48 +/- 0.72   4.002% *  0.0714% (0.17   0.02   0.02) =   0.003%
          QG1   VAL   41 - HB2   PHE   72   8.62 +/- 0.41   1.527% *  0.1231% (0.28   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB2   PHE   72  12.37 +/- 1.20   0.209% *  0.3484% (0.81   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.53 +/- 0.70   0.169% *  0.3237% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  16.96 +/- 1.44   0.029% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 2 structures by 0.67 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.56, residual support = 38.8:
        T QB    ALA   64 - HB2   PHE   72   3.44 +/- 0.65  99.968% * 99.9825% (0.84 10.00   2.56  38.77) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.32 +/- 0.80   0.032% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.696, support = 5.79, residual support = 38.4:
          QD2   LEU   73 - HB3   PHE   72   4.08 +/- 0.21  40.071% * 93.7235% (0.72   6.18  40.89) =  92.814%  kept
          QG2   VAL   18 - HB3   PHE   72   3.83 +/- 0.96  56.720% *  5.1145% (0.33   0.75   5.97) =   7.169%  kept
          QG1   VAL   43 - HB3   PHE   72   6.84 +/- 0.69   2.062% *  0.2204% (0.53   0.02   0.02) =   0.011%
          QG1   VAL   41 - HB3   PHE   72   8.64 +/- 0.49   0.442% *  0.2910% (0.69   0.02   0.02) =   0.003%
          QG2   THR   46 - HB3   PHE   72   8.47 +/- 0.87   0.532% *  0.1010% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  11.66 +/- 1.34   0.119% *  0.2057% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.39 +/- 0.90   0.054% *  0.3438% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.74, residual support = 38.8:
        T QB    ALA   64 - HB3   PHE   72   3.52 +/- 0.23  99.914% * 99.9693% (0.63 10.00   2.74  38.77) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.77 +/- 1.06   0.086% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 5.97:
        T HA    VAL   18 - HB2   PHE   72   2.58 +/- 0.56  99.448% * 98.8643% (0.47 10.00   1.50   5.97) =  99.999%  kept
          HA    VAL   70 - HB2   PHE   72   7.36 +/- 0.49   0.310% *  0.2282% (0.82  1.00   0.02  35.30) =   0.001%
          HA1   GLY   16 - HB2   PHE   72   7.85 +/- 0.69   0.214% *  0.0647% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  12.71 +/- 1.32   0.012% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.69 +/- 1.06   0.005% *  0.1779% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.11 +/- 0.77   0.003% *  0.2282% (0.82  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.61 +/- 0.53   0.004% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.18 +/- 1.48   0.004% *  0.0408% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  22.40 +/- 2.76   0.001% *  0.1133% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.155, support = 1.43, residual support = 6.23:
          HA    VAL   18 - HB3   PHE   72   3.17 +/- 0.71  99.017% * 32.2722% (0.15  1.00   1.44   5.97) =  99.089%  kept
          HA    VAL   70 - HB3   PHE   72   8.05 +/- 0.36   0.588% * 48.5164% (0.53  1.00   0.63  35.30) =   0.884%  kept
          HA1   GLY   16 - HB3   PHE   72   8.74 +/- 0.92   0.324% *  1.8567% (0.63  1.00   0.02   0.02) =   0.019%
        T HA    LYS+  33 - HB3   PHE   72  15.25 +/- 0.75   0.013% *  7.8917% (0.27 10.00   0.02   0.02) =   0.003%
          HB2   SER   37 - HB3   PHE   72  13.45 +/- 1.06   0.027% *  2.5062% (0.85  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB3   PHE   72  15.69 +/- 0.41   0.012% *  5.0600% (0.17 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   PHE   72  15.57 +/- 0.96   0.016% *  1.5508% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PHE   72  21.66 +/- 2.89   0.003% *  0.3460% (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 = 4.76, residual support = 90.8:
      O T QD    PHE   72 - HB3   PHE   72   2.36 +/- 0.12  99.509% * 99.0530% (0.87  10.0 10.00   4.76  90.77) =  99.999%  kept
        T QE    PHE   45 - HB3   PHE   72   9.24 +/- 1.01   0.039% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.451% *  0.0306% (0.27   1.0  1.00   0.02  90.77) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.49, residual support = 90.8:
      O T QD    PHE   72 - HB2   PHE   72   2.53 +/- 0.13  99.291% * 99.8767% (0.83  10.0 10.00   4.49  90.77) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.680% *  0.0309% (0.26   1.0  1.00   0.02  90.77) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.14 +/- 1.20   0.029% *  0.0924% (0.77   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 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.02, residual support = 90.8:
      O   HN    PHE   72 - HB2   PHE   72   2.46 +/- 0.49  99.992% * 99.9402% (0.79  10.0   5.02  90.77) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.10 +/- 0.59   0.008% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.826, support = 0.0198, residual support = 4.19:
          HB2   GLN   30 - HA    LEU   73   7.08 +/- 0.65  53.972% * 10.7462% (0.80   0.02   4.71) =  54.669%  kept
          HG3   GLN   30 - HA    LEU   73   7.91 +/- 0.49  27.342% * 13.3017% (0.99   0.02   4.71) =  34.281%  kept
          HB2   GLN   17 - HA    LEU   73   9.37 +/- 0.49  10.428% *  6.5324% (0.49   0.02   0.02) =   6.421%  kept
          HB3   GLU-  25 - HA    LEU   73  11.65 +/- 0.72   3.347% *  4.1422% (0.31   0.02   0.02) =   1.307%  kept
          QB    GLU-  15 - HA    LEU   73  12.20 +/- 0.48   2.097% *  6.5324% (0.49   0.02   0.02) =   1.291%  kept
          HB3   PRO   68 - HA    LEU   73  14.94 +/- 1.26   0.740% * 11.6413% (0.87   0.02   0.02) =   0.812%  kept
          HB3   GLU- 100 - HA    LEU   73  16.93 +/- 0.75   0.313% * 11.6413% (0.87   0.02   0.02) =   0.343%
          HB2   PRO   93 - HA    LEU   73  13.99 +/- 1.06   0.994% *  2.9879% (0.22   0.02   0.02) =   0.280%
          HB    VAL  108 - HA    LEU   73  16.84 +/- 1.10   0.328% *  7.5980% (0.57   0.02   0.02) =   0.235%
          HB    ILE  119 - HA    LEU   73  18.07 +/- 0.89   0.204% * 10.7462% (0.80   0.02   0.02) =   0.206%
          HB2   ARG+  54 - HA    LEU   73  19.31 +/- 0.85   0.137% *  6.5324% (0.49   0.02   0.02) =   0.084%
          HB2   LYS+ 111 - HA    LEU   73  21.25 +/- 1.59   0.098% *  7.5980% (0.57   0.02   0.02) =   0.070%
    Distance limit 3.68 A violated in 20 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.86, residual support = 43.5:
      O   HN    LYS+  74 - HA    LEU   73   2.33 +/- 0.10  99.974% * 99.6525% (0.69  10.0   5.86  43.47) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.50 +/- 0.51   0.024% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.28 +/- 0.75   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  16.12 +/- 1.45   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  23.60 +/- 2.08   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.797, support = 6.6, residual support = 172.8:
      O   HN    LEU   73 - HA    LEU   73   2.94 +/- 0.00  77.655% * 97.6685% (0.80  10.0   6.62 173.81) =  99.398%  kept
          HN    ILE   19 - HA    LEU   73   3.75 +/- 0.45  21.475% *  2.1361% (0.18   1.0   2.00   4.00) =   0.601%  kept
          HN    VAL   42 - HA    LEU   73   6.26 +/- 0.29   0.868% *  0.0977% (0.80   1.0   0.02   1.20) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.79 +/- 0.51   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.35, residual support = 173.8:
      O   HN    LEU   73 - HB2   LEU   73   3.44 +/- 0.41  96.986% * 99.6355% (0.38  10.0   6.35 173.81) =  99.997%  kept
          HN    VAL   42 - HB2   LEU   73   6.26 +/- 0.68   3.003% *  0.0996% (0.38   1.0   0.02   1.20) =   0.003%
          HN    LYS+ 106 - HB2   LEU   73  15.83 +/- 1.04   0.011% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.798, support = 1.99, residual support = 8.31:
          HA    VAL   43 - HB2   LEU   73   3.62 +/- 0.84  97.654% * 87.9406% (0.80  1.00   2.00   8.34) =  99.706%  kept
        T HA    HIS   22 - HB2   LEU   73   8.16 +/- 0.94   2.306% * 10.9829% (1.00 10.00   0.02   0.02) =   0.294%
          HA    ASN   69 - HB2   LEU   73  14.49 +/- 0.45   0.041% *  1.0765% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 2 structures by 0.21 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.59, residual support = 43.5:
          HN    LYS+  74 - HB3   LEU   73   3.49 +/- 0.46  99.959% * 97.5605% (0.25   5.59  43.47) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.49 +/- 0.52   0.036% *  0.5759% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  20.76 +/- 1.21   0.003% *  1.0705% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  25.66 +/- 2.76   0.001% *  0.7931% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.768, support = 5.57, residual support = 166.4:
          HN    LEU   73 - HG    LEU   73   3.01 +/- 0.72  55.315% * 69.1931% (0.80   5.73 173.81) =  91.432%  kept
          HN    ILE   19 - HG12  ILE   19   3.24 +/- 0.55  33.014% *  5.3955% (0.06   6.26 174.22) =   4.255%  kept
          HN    VAL   42 - HG    LEU   73   4.36 +/- 1.13   8.941% * 19.3290% (0.80   1.60   1.20) =   4.129%  kept
          HN    VAL   42 - HG    LEU   40   5.72 +/- 1.07   1.431% *  5.3358% (0.15   2.37   1.29) =   0.182%
          HN    ILE   19 - HG    LEU   73   6.18 +/- 0.63   0.649% *  0.0528% (0.18   0.02   4.00) =   0.001%
          HN    LEU   73 - HG12  ILE   19   7.03 +/- 1.17   0.398% *  0.0788% (0.26   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   8.13 +/- 1.39   0.150% *  0.0788% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.46 +/- 1.08   0.044% *  0.0450% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.31 +/- 0.81   0.015% *  0.0450% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.80 +/- 1.53   0.003% *  0.2414% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  16.00 +/- 4.08   0.004% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.79 +/- 0.79   0.017% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.55 +/- 0.95   0.011% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  19.10 +/- 4.78   0.001% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.97 +/- 1.34   0.000% *  0.0788% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.38 +/- 1.48   0.002% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.97 +/- 1.24   0.002% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  17.47 +/- 3.16   0.002% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  24.30 +/- 5.65   0.000% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.87 +/- 1.37   0.001% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.0871, support = 1.43, residual support = 1.41:
          HN    LEU   71 - HG    LEU   40   5.51 +/- 0.83  57.196% * 46.9238% (0.05   1.63   1.64) =  86.103%  kept
          HN    LEU   71 - HG    LEU   73   7.48 +/- 0.55  10.211% * 36.1406% (0.28   0.23   0.02) =  11.839%  kept
          HN    THR   26 - HG    LEU   73   8.97 +/- 1.06   3.570% *  9.3008% (0.84   0.02   0.02) =   1.065%  kept
          HN    LEU   71 - HG12  ILE   19   6.92 +/- 1.29  23.305% *  1.0111% (0.09   0.02   0.02) =   0.756%  kept
          HN    THR   26 - HG    LEU   80  11.78 +/- 4.70   5.092% *  1.1318% (0.10   0.02   0.02) =   0.185%
          HN    THR   26 - HG12  ILE   19  12.19 +/- 0.38   0.505% *  3.0375% (0.27   0.02   0.02) =   0.049%
          HN    THR   26 - HG    LEU   40  18.20 +/- 1.22   0.041% *  1.7340% (0.16   0.02   0.02) =   0.002%
          HN    LEU   71 - HG    LEU   80  22.29 +/- 4.23   0.025% *  0.3767% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  18.34 +/- 1.37   0.048% *  0.0858% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  25.00 +/- 1.66   0.007% *  0.2579% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 12 structures by 1.08 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 = 8.19, residual support = 172.5:
          HN    LEU   73 - QD2   LEU   73   2.48 +/- 0.37  79.210% * 96.1977% (0.38   8.25 173.81) =  99.250%  kept
          HN    VAL   42 - QD2   LEU   73   3.33 +/- 0.55  20.457% *  2.8123% (0.38   0.24   1.20) =   0.749%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   7.45 +/- 1.11   0.324% *  0.2113% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QD2   LEU   73  13.01 +/- 0.68   0.004% *  0.6197% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.43 +/- 1.45   0.003% *  0.0795% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.84 +/- 1.34   0.001% *  0.0795% (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 = 6.0, residual support = 43.5:
          HN    LYS+  74 - QD2   LEU   73   4.04 +/- 0.29  99.852% * 96.8661% (0.25   6.00  43.47) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.25 +/- 0.94   0.083% *  0.5323% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.17 +/- 1.08   0.013% *  0.9895% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.60 +/- 0.90   0.035% *  0.3374% (0.26   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  19.90 +/- 1.71   0.009% *  0.7330% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  21.04 +/- 1.32   0.006% *  0.1101% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  27.28 +/- 1.70   0.001% *  0.1815% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  35.23 +/- 2.20   0.000% *  0.2500% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.84, residual support = 187.2:
      O   HN    LYS+  74 - HB2   LYS+  74   3.01 +/- 0.28  99.899% * 99.3064% (0.20  10.0   5.84 187.17) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.50 +/- 0.98   0.100% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.93 +/- 0.94   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  24.60 +/- 1.71   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.4, residual support = 31.8:
          HN    VAL   75 - HB3   LYS+  74   4.19 +/- 0.26  99.523% * 98.5294% (0.41   4.40  31.82) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.28 +/- 0.69   0.466% *  0.9441% (0.87   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB3   LYS+  74  20.46 +/- 0.92   0.008% *  0.3359% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  24.55 +/- 1.54   0.003% *  0.1906% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.56 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.66, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.15 +/- 0.56  99.819% * 99.5060% (0.84   5.66  31.82) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.28 +/- 1.03   0.172% *  0.4124% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.16 +/- 1.96   0.006% *  0.0376% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.26 +/- 2.50   0.003% *  0.0441% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.58 +/- 0.16  99.964% * 95.5857% (0.84   0.34   0.34) =  99.998%  kept
          QD1   LEU  115 - HA    THR   77  14.73 +/- 2.22   0.036% *  4.4143% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 36.2:
      O   HN    ASP-  78 - HB3   ASP-  78   2.49 +/- 0.47  99.970% * 99.9053% (0.95  10.0   3.95  36.17) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.03 +/- 0.58   0.030% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.61, residual support = 36.2:
      O   HN    ASP-  78 - HB2   ASP-  78   2.69 +/- 0.41  99.956% * 99.9053% (0.95  10.0   4.61  36.17) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.11 +/- 0.44   0.044% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 53.4:
      O T HB3   GLU-  79 - HA    GLU-  79   2.92 +/- 0.21  99.974% * 99.1581% (1.00  10.0 10.00   4.14  53.41) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.71 +/- 1.42   0.022% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  18.97 +/- 1.92   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  18.22 +/- 2.25   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  25.19 +/- 1.69   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  29.11 +/- 1.27   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 = 3.44, residual support = 53.4:
      O   QG    GLU-  79 - HB3   GLU-  79   2.29 +/- 0.13  99.993% * 99.5936% (0.98  10.0   3.44  53.41) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  12.68 +/- 1.62   0.006% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.60 +/- 2.73   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.73 +/- 1.92   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  22.29 +/- 1.94   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.73 +/- 0.94   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.93 +/- 2.55   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.54 +/- 1.88   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  27.79 +/- 2.25   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  24.04 +/- 0.88   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  27.79 +/- 1.77   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  32.25 +/- 0.94   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.978, support = 2.39, residual support = 5.73:
          HB2   ASP-  76 - HB3   GLU-  79   3.25 +/- 0.67  93.331% * 40.9478% (1.00  1.00   2.23   4.94) =  91.711%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.59 +/- 0.80   6.035% * 57.2170% (0.76  1.00   4.07  14.49) =   8.287%  kept
          HB2   ASP-  78 - HB2   GLN   90  10.07 +/- 2.02   0.524% *  0.1044% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  11.93 +/- 1.31   0.087% *  0.1362% (0.37  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB3   GLU-  79  15.74 +/- 2.82   0.016% *  0.6436% (0.18 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  19.46 +/- 2.26   0.003% *  0.0916% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  23.62 +/- 1.72   0.001% *  0.2391% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.56 +/- 1.72   0.000% *  0.3547% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.10 +/- 1.32   0.001% *  0.0727% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  33.07 +/- 0.70   0.000% *  0.1318% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  26.51 +/- 1.61   0.001% *  0.0270% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  27.65 +/- 1.73   0.000% *  0.0340% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 53.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.92 +/- 0.21  97.831% * 98.8585% (0.80  10.0 10.00   4.14  53.41) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   6.36 +/- 1.04   1.368% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.38 +/- 0.44   0.446% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.71 +/- 1.42   0.021% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  10.85 +/- 1.87   0.080% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   8.97 +/- 1.34   0.188% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.14 +/- 1.46   0.030% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.15 +/- 1.55   0.018% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.06 +/- 0.77   0.004% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.00 +/- 1.32   0.003% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.67 +/- 1.00   0.003% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.42 +/- 0.54   0.005% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  25.61 +/- 1.89   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  23.64 +/- 2.48   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.37 +/- 1.86   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  25.53 +/- 0.64   0.000% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  26.47 +/- 1.87   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.45 +/- 3.46   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  31.63 +/- 0.95   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.33 +/- 1.66   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 = 95.2:
      O T HA    GLN   90 - HB2   GLN   90   2.65 +/- 0.31  96.580% * 96.0605% (0.27  10.0 10.00   3.96  95.16) =  99.996%  kept
          HA    ALA   91 - HB2   GLN   90   5.05 +/- 0.46   3.299% *  0.0644% (0.18   1.0  1.00   0.02  32.85) =   0.002%
        T HA    GLN   90 - HB3   GLU-  79  10.42 +/- 1.64   0.050% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB3   GLU-  79  12.10 +/- 2.87   0.044% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  13.65 +/- 2.68   0.016% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.18 +/- 1.45   0.004% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  19.37 +/- 2.47   0.001% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.26 +/- 1.56   0.002% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.42 +/- 2.01   0.001% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.34 +/- 0.80   0.001% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.10 +/- 0.77   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  22.05 +/- 1.49   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 = 0.987, support = 2.11, residual support = 5.4:
          HB2   ASP-  76 - HB2   GLU-  79   2.45 +/- 0.61  96.656% * 40.6360% (1.00   2.03   4.94) =  95.243%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.15 +/- 0.57   3.340% * 58.7264% (0.76   3.83  14.49) =   4.757%  kept
          HB2   ASN   28 - HB2   GLU-  79  16.01 +/- 2.25   0.002% *  0.0703% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  19.41 +/- 1.88   0.001% *  0.1001% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.29 +/- 1.36   0.000% *  0.3876% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  23.74 +/- 1.11   0.000% *  0.0795% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.32, residual support = 48.1:
          HN    LEU   80 - HB2   GLU-  79   3.38 +/- 0.49  99.811% * 98.4998% (0.61   5.32  48.12) =  99.999%  kept
          HN    SER   85 - HB2   GLU-  79  10.33 +/- 1.33   0.161% *  0.2974% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  14.57 +/- 1.04   0.022% *  0.2293% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  20.40 +/- 2.28   0.003% *  0.5299% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  21.44 +/- 2.05   0.002% *  0.4436% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.47, residual support = 48.1:
          HN    LEU   80 - HB3   GLU-  79   2.70 +/- 0.56  99.707% * 97.8805% (0.61   5.47  48.12) = 100.000%  kept
          HN    SER   85 - HB3   GLU-  79   9.71 +/- 1.39   0.076% *  0.2871% (0.49   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   GLN   90   9.39 +/- 0.82   0.104% *  0.1067% (0.18   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  10.72 +/- 1.14   0.046% *  0.1329% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  10.78 +/- 1.20   0.057% *  0.0823% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  14.99 +/- 1.15   0.008% *  0.2214% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  20.26 +/- 2.86   0.001% *  0.5116% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  21.41 +/- 2.55   0.001% *  0.4283% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  28.17 +/- 1.72   0.000% *  0.1901% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  29.01 +/- 1.39   0.000% *  0.1591% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.56, residual support = 95.2:
      O   HN    GLN   90 - HB2   GLN   90   3.33 +/- 0.72  99.632% * 98.6230% (0.23  10.0   5.56  95.16) =  99.999%  kept
          HN    GLN   90 - HB3   GLU-  79  11.80 +/- 1.69   0.205% *  0.2654% (0.61   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB3   GLU-  79  11.97 +/- 1.47   0.123% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  13.74 +/- 0.89   0.032% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  18.27 +/- 1.95   0.005% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  25.52 +/- 2.66   0.001% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  27.26 +/- 0.90   0.001% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  23.38 +/- 1.53   0.002% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.08, residual support = 48.1:
          HN    LEU   80 - QG    GLU-  79   3.72 +/- 0.44  99.539% * 98.4316% (0.61   5.08  48.12) =  99.998%  kept
          HN    SER   85 - QG    GLU-  79   9.49 +/- 1.13   0.401% *  0.3109% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  17.59 +/- 2.84   0.019% *  0.5540% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.00 +/- 1.03   0.030% *  0.2397% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  18.77 +/- 2.57   0.011% *  0.4638% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.44, residual support = 48.1:
      O   HN    LEU   80 - HA    GLU-  79   3.63 +/- 0.01  99.777% * 99.2120% (0.28  10.0   5.44  48.12) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.10 +/- 0.34   0.219% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  21.85 +/- 2.28   0.003% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  23.06 +/- 1.73   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.646, support = 4.42, residual support = 83.3:
      O   HB2   LEU   80 - QD2   LEU   80   2.39 +/- 0.30  35.174% * 71.2691% (0.87  10.0  1.00   4.29  83.33) =  57.993%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.01  64.790% * 28.0259% (0.34  10.0  1.00   4.61  83.33) =  42.007%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.94 +/- 3.93   0.016% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80  10.05 +/- 2.59   0.015% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  15.96 +/- 4.52   0.001% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.51 +/- 2.44   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  15.44 +/- 2.87   0.001% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  16.00 +/- 3.92   0.001% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  17.94 +/- 4.67   0.000% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  14.33 +/- 1.18   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  20.05 +/- 2.31   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  23.98 +/- 3.98   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  19.97 +/- 1.94   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  23.89 +/- 5.03   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.77 +/- 2.54   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 = 0.873, support = 5.75, residual support = 74.4:
          HA    LEU   80 - QD2   LEU   80   2.59 +/- 0.80  68.085% * 66.0961% (0.87   6.26  83.33) =  89.124%  kept
          HA    THR   23 - QD2   LEU   80   6.87 +/- 4.56  21.649% * 18.1384% (0.99   1.50   1.02) =   7.777%  kept
          HB    THR   23 - QD2   LEU   80   6.76 +/- 3.96  10.117% * 15.4614% (0.73   1.75   1.02) =   3.098%  kept
          HA    ASP-  78 - QD2   LEU   80   6.75 +/- 0.58   0.148% *  0.1949% (0.80   0.02   4.81) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  21.14 +/- 4.49   0.001% *  0.1091% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.41, support = 5.27, residual support = 34.1:
          HN    LYS+  81 - QD2   LEU   80   4.28 +/- 0.95  58.758% * 63.8029% (0.38   5.90  39.66) =  85.753%  kept
          HN    THR   23 - QD2   LEU   80   7.87 +/- 3.52  14.258% * 25.9666% (0.41   2.19   1.02) =   8.469%  kept
          HE3   TRP   27 - QD2   LEU   80   9.63 +/- 5.98  26.886% *  9.3947% (0.92   0.35   0.02) =   5.778%  kept
          QE    PHE   95 - QD2   LEU   80  13.06 +/- 2.68   0.087% *  0.2582% (0.45   0.02   0.02) =   0.001%
          QD    PHE   55 - QD2   LEU   80  17.65 +/- 1.30   0.007% *  0.4996% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  20.49 +/- 2.28   0.004% *  0.0779% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.01, residual support = 4.58:
          HN    VAL   24 - QD2   LEU   80   6.93 +/- 5.73  94.563% * 99.2869% (0.31   2.01   4.58) =  99.959%  kept
          HN    VAL   43 - QD2   LEU   80  13.89 +/- 4.20   5.437% *  0.7131% (0.22   0.02   0.02) =   0.041%
    Distance limit 3.45 A violated in 9 structures by 4.25 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 5.14, residual support = 38.3:
          HN    LYS+  81 - QD1   LEU   80   3.33 +/- 0.87  72.692% * 77.7671% (0.24   5.31  39.66) =  96.519%  kept
          HN    THR   23 - QD1   LEU   80   8.67 +/- 4.30  21.198% *  7.0478% (0.27   0.44   1.02) =   2.551%  kept
          HE3   TRP   27 - QD1   LEU   80  10.79 +/- 5.87   4.254% * 12.6409% (0.60   0.35   0.02) =   0.918%  kept
          HE3   TRP   27 - QD2   LEU   98   7.14 +/- 1.34   1.600% *  0.4126% (0.34   0.02   0.02) =   0.011%
          QE    PHE   95 - QD2   LEU   98  10.19 +/- 1.49   0.131% *  0.2004% (0.17   0.02   0.02) =   0.000%
          QE    PHE   95 - QD1   LEU   80  13.93 +/- 2.87   0.040% *  0.3496% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.04 +/- 1.24   0.043% *  0.1838% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  18.18 +/- 1.42   0.004% *  0.6764% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.16 +/- 1.10   0.028% *  0.0605% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.57 +/- 1.27   0.004% *  0.3877% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  19.02 +/- 3.20   0.005% *  0.1678% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  21.63 +/- 3.03   0.002% *  0.1055% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.98, residual support = 110.5:
          HN    LYS+  81 - QG    LYS+  81   2.57 +/- 0.47  99.947% * 98.8074% (0.87   5.98 110.48) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33  12.80 +/- 1.18   0.021% *  0.0818% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  15.48 +/- 3.72   0.008% *  0.1709% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  15.82 +/- 0.59   0.003% *  0.2005% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.57 +/- 1.01   0.008% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.49 +/- 1.43   0.005% *  0.0376% (0.10   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  17.40 +/- 1.34   0.002% *  0.0960% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.67 +/- 1.34   0.001% *  0.1430% (0.38   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.51 +/- 1.01   0.002% *  0.0315% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  25.54 +/- 3.81   0.000% *  0.1583% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  24.55 +/- 3.93   0.000% *  0.0727% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  19.77 +/- 1.89   0.001% *  0.0247% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.35 +/- 0.78   0.001% *  0.0113% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  25.22 +/- 0.76   0.000% *  0.0516% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  28.19 +/- 1.38   0.000% *  0.0685% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.638, support = 0.0199, residual support = 0.0199:
          HN    GLU-  79 - QG    LYS+  81   5.91 +/- 0.96  92.459% * 29.1271% (0.65   0.02   0.02) =  98.338%  kept
          HN    VAL   70 - HG2   LYS+  33  12.72 +/- 2.04   3.405% *  8.8625% (0.20   0.02   0.02) =   1.102%  kept
          HN    THR   94 - HG2   LYS+ 106  10.89 +/- 0.84   3.388% *  2.4703% (0.05   0.02   0.02) =   0.306%
          HN    THR   94 - QG    LYS+  81  14.89 +/- 1.21   0.442% * 11.2272% (0.25   0.02   0.02) =   0.181%
          HN    VAL   70 - HG2   LYS+ 106  18.41 +/- 0.92   0.154% *  4.0728% (0.09   0.02   0.02) =   0.023%
          HN    GLU-  79 - HG2   LYS+  33  22.93 +/- 1.76   0.035% * 13.9455% (0.31   0.02   0.02) =   0.018%
          HN    GLU-  79 - HG2   LYS+ 106  22.08 +/- 2.12   0.052% *  6.4088% (0.14   0.02   0.02) =   0.012%
          HN    VAL   70 - QG    LYS+  81  26.17 +/- 1.21   0.015% * 18.5105% (0.41   0.02   0.02) =   0.010%
          HN    THR   94 - HG2   LYS+  33  22.15 +/- 1.34   0.049% *  5.3754% (0.12   0.02   0.02) =   0.010%
    Distance limit 3.77 A violated in 20 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.35, residual support = 110.5:
      O   HN    LYS+  81 - QB    LYS+  81   2.26 +/- 0.19  99.274% * 99.1682% (0.38  10.0   5.35 110.48) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.91 +/- 0.69   0.605% *  0.0263% (0.10   1.0   0.02   0.50) =   0.000%
          QE    PHE   95 - HB3   PRO   52   8.20 +/- 1.71   0.112% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  15.51 +/- 4.05   0.003% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  13.10 +/- 2.66   0.004% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  16.80 +/- 1.57   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.85 +/- 1.11   0.000% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  19.68 +/- 1.87   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.99 +/- 1.57   0.000% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  20.25 +/- 1.53   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  26.72 +/- 1.13   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.20 +/- 1.48   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.43, residual support = 110.5:
      O   HN    LYS+  81 - HA    LYS+  81   2.77 +/- 0.04  99.989% * 99.8291% (0.87  10.0   5.43 110.48) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  15.94 +/- 3.98   0.008% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  17.14 +/- 0.57   0.002% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.43 +/- 1.16   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  27.66 +/- 0.85   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.454, support = 4.08, residual support = 34.5:
          HA    LEU   80 - QG    LYS+  81   4.44 +/- 0.68  47.107% * 85.6378% (0.38   4.65  39.66) =  87.051%  kept
          HA    ASP-  78 - QG    LYS+  81   4.24 +/- 1.25  52.236% * 11.4831% (0.98   0.24   0.02) =  12.944%  kept
          HA    THR   23 - QG    LYS+  81  11.90 +/- 2.91   0.163% *  0.7506% (0.76   0.02   0.02) =   0.003%
          HB    THR   23 - QG    LYS+  81  11.22 +/- 2.88   0.364% *  0.2449% (0.25   0.02   0.02) =   0.002%
          HA    PHE   45 - QG    LYS+  81  12.46 +/- 1.28   0.056% *  0.1516% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.14 +/- 0.64   0.017% *  0.3594% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  16.25 +/- 0.73   0.010% *  0.1173% (0.12   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  18.70 +/- 1.71   0.006% *  0.1652% (0.17   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  14.11 +/- 1.23   0.028% *  0.0333% (0.03   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  22.87 +/- 1.94   0.002% *  0.2118% (0.22   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  19.17 +/- 1.38   0.004% *  0.0726% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  26.01 +/- 1.67   0.001% *  0.4610% (0.47   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  23.54 +/- 4.01   0.001% *  0.1765% (0.18   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  20.57 +/- 2.02   0.004% *  0.0539% (0.05   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  23.39 +/- 4.14   0.002% *  0.0811% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.7, residual support = 34.8:
      O   HN    SER   82 - HB3   SER   82   3.05 +/- 0.33 100.000% * 99.5254% (0.41  10.0   3.70  34.78) = 100.000%  kept
          HN    SER  117 - HB3   SER   82  30.20 +/- 4.48   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB3   SER   82  28.54 +/- 2.25   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.369, support = 3.34, residual support = 15.1:
      O   HN    TRP   49 - HA    SER   48   3.52 +/- 0.06  28.837% * 84.7811% (0.40  10.0   3.27  14.74) =  80.333%  kept
          HN    VAL   83 - HB2   SER   82   3.25 +/- 0.29  48.520% * 10.3320% (0.24   1.0   4.10  19.63) =  16.472%  kept
          HN    CYS   50 - HA    SER   48   3.71 +/- 0.29  22.528% *  4.3161% (0.36   1.0   1.13   0.02) =   3.195%  kept
          HE22  GLN   30 - HA    VAL   70   9.45 +/- 0.58   0.086% *  0.0239% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  15.65 +/- 1.53   0.004% *  0.1544% (0.72   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  13.35 +/- 2.14   0.019% *  0.0277% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  16.99 +/- 1.35   0.003% *  0.1388% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  20.45 +/- 3.92   0.001% *  0.0689% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.32 +/- 0.93   0.001% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.90 +/- 0.67   0.000% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.87 +/- 0.85   0.000% *  0.0536% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  26.33 +/- 2.50   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 = 4.31, residual support = 34.8:
      O   HN    SER   82 - HB2   SER   82   2.21 +/- 0.34  99.868% * 99.0159% (0.39  10.0   4.31  34.78) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   8.04 +/- 1.09   0.111% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  13.45 +/- 2.38   0.020% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.14 +/- 1.00   0.000% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.42 +/- 1.54   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  22.56 +/- 1.66   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  28.62 +/- 2.30   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  30.82 +/- 4.07   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  27.62 +/- 2.74   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 = 43.6:
          HN    ALA   84 - HB    VAL   83   3.14 +/- 0.30  99.992% * 98.8161% (0.44   5.35  43.59) = 100.000%  kept
          HN    LYS+ 111 - HB    VAL   83  20.51 +/- 4.01   0.003% *  0.3697% (0.44   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB    VAL   83  25.12 +/- 3.88   0.001% *  0.6812% (0.80   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  18.98 +/- 1.95   0.004% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.1:
      O   HN    VAL   83 - HB    VAL   83   2.36 +/- 0.38  99.986% * 99.8243% (0.65  10.0   4.77  87.12) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  13.71 +/- 1.37   0.006% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  12.64 +/- 1.55   0.008% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.95, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   8.76 +/- 1.42  93.075% * 31.7530% (0.96   0.02   0.02) =  95.620%  kept
          HD21  ASN   28 - HA    ALA   84  17.46 +/- 3.53   2.342% * 30.7120% (0.93   0.02   0.02) =   2.327%  kept
          QE    PHE   60 - HA    ALA   84  16.01 +/- 1.75   2.780% * 16.7431% (0.51   0.02   0.02) =   1.506%  kept
          HN    ILE   56 - HA    ALA   84  18.38 +/- 0.93   1.496% *  8.8482% (0.27   0.02   0.02) =   0.428%
          HN    LEU   63 - HA    ALA   84  23.40 +/- 1.33   0.308% * 11.9438% (0.36   0.02   0.02) =   0.119%
    Distance limit 3.47 A violated in 20 structures by 5.21 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.807, support = 0.0199, residual support = 0.0199:
          QE    PHE   45 - HA    ALA   84   9.53 +/- 2.25  97.479% * 37.7702% (0.81   0.02   0.02) =  97.431%  kept
          QD    PHE   72 - HA    ALA   84  19.17 +/- 1.60   2.005% * 43.6396% (0.93   0.02   0.02) =   2.315%  kept
          HZ    PHE   72 - HA    ALA   84  24.22 +/- 1.81   0.516% * 18.5902% (0.40   0.02   0.02) =   0.254%
    Distance limit 4.02 A violated in 20 structures by 5.47 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.28, residual support = 11.2:
          HB    ILE   89 - HA    ALA   84   2.50 +/- 1.42  99.923% * 98.3463% (0.91   1.28  11.20) =  99.999%  kept
          QG1   ILE   56 - HA    ALA   84  16.48 +/- 1.04   0.074% *  0.7308% (0.43   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HA    ALA   84  28.13 +/- 2.35   0.003% *  0.9229% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 3.31, residual support = 35.5:
          QG2   VAL   83 - HA    ALA   84   3.63 +/- 0.64  74.703% * 50.4822% (0.66   3.55  43.59) =  75.111%  kept
          QD1   ILE   89 - HA    ALA   84   4.53 +/- 0.68  25.288% * 49.4146% (0.89   2.58  11.20) =  24.889%  kept
          QD2   LEU   31 - HA    ALA   84  17.10 +/- 2.55   0.009% *  0.1033% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.68, residual support = 11.2:
          HG13  ILE   89 - HA    ALA   84   3.91 +/- 1.26 100.000% *100.0000% (0.55   2.68  11.20) = 100.000%  kept
    Distance limit 3.79 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.716, support = 3.53, residual support = 36.0:
          QG2   VAL   83 - QB    ALA   84   4.03 +/- 0.29  81.075% * 43.0267% (0.66  1.00   3.55  43.59) =  76.705%  kept
          QD1   ILE   89 - QB    ALA   84   5.27 +/- 0.56  18.886% * 56.0933% (0.89  1.00   3.44  11.20) =  23.294%  kept
        T QD2   LEU   31 - QB    ALA   84  15.01 +/- 2.01   0.039% *  0.8799% (0.24 10.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.51, residual support = 11.2:
          HG13  ILE   89 - QB    ALA   84   5.14 +/- 1.06 100.000% *100.0000% (0.55   3.51  11.20) = 100.000%  kept
    Distance limit 3.72 A violated in 13 structures by 1.44 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   8.24 +/- 1.55  99.477% * 73.1356% (0.87   0.02   0.02) =  99.903%  kept
          HD2   HIS  122 - QB    ALA   84  22.65 +/- 1.64   0.289% * 14.2817% (0.17   0.02   0.02) =   0.057%
          HE22  GLN  116 - QB    ALA   84  24.79 +/- 1.94   0.234% * 12.5826% (0.15   0.02   0.02) =   0.040%
    Distance limit 3.94 A violated in 20 structures by 4.31 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   8.68 +/- 1.77  97.267% * 28.9138% (0.59   0.02   0.02) =  95.868%  kept
          HE22  GLN   30 - QB    ALA   84  17.83 +/- 1.98   2.518% * 46.0056% (0.93   0.02   0.02) =   3.949%  kept
          HD22  ASN   69 - QB    ALA   84  26.60 +/- 1.53   0.215% * 25.0806% (0.51   0.02   0.02) =   0.184%
    Distance limit 4.15 A violated in 20 structures by 4.49 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.2:
      O   HN    SER   85 - QB    SER   85   2.14 +/- 0.06  99.962% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  11.33 +/- 2.95   0.028% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.13 +/- 0.61   0.006% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  15.77 +/- 2.12   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.29 +/- 1.24   0.002% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  23.60 +/- 3.86   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.89 +/- 1.01   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  25.44 +/- 3.52   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.90 +/- 1.35   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  26.45 +/- 2.55   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  24.14 +/- 0.87   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.94 +/- 1.21   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   3.06 +/- 0.06  99.844% * 97.6195% (0.87   3.33  13.44) = 100.000%  kept
          HN    ASP-  86 - QB    SER   48  12.54 +/- 2.63   0.064% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   85  19.57 +/- 3.58   0.002% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.44 +/- 0.74   0.070% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  20.80 +/- 3.48   0.001% *  0.5408% (0.80   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  15.51 +/- 2.20   0.010% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  20.51 +/- 0.87   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  20.51 +/- 0.87   0.001% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.50 +/- 1.56   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.09 +/- 1.14   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  27.36 +/- 3.74   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  25.97 +/- 3.18   0.000% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.55 +/- 1.19   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.39 +/- 0.78   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.74 +/- 1.92   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  24.12 +/- 1.91   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  30.60 +/- 2.53   0.000% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.89 +/- 1.05   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.95, residual support = 16.3:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.13 100.000% * 98.5738% (0.12  10.0   2.95  16.28) = 100.000%  kept
          HN    SER  117 - QB    SER   85  27.48 +/- 2.89   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.33 +/- 1.21   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.35 +/- 2.21   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.43 +/- 0.99   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  28.64 +/- 1.79   0.000% *  0.4517% (0.57   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 = 18.2:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.03  99.996% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  16.43 +/- 1.84   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  26.82 +/- 3.89   0.000% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  28.71 +/- 3.58   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   2.45 +/- 0.35  99.998% * 99.6620% (0.95  10.0   3.56  41.93) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  20.22 +/- 3.77   0.001% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  18.97 +/- 3.99   0.001% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  27.32 +/- 4.09   0.000% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  26.18 +/- 3.29   0.000% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  31.70 +/- 3.48   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.07, residual support = 41.9:
      O   HN    ASP-  86 - HB2   ASP-  86   3.03 +/- 0.56  99.991% * 99.2641% (0.49  10.0   5.07  41.93) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  19.95 +/- 4.04   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  18.70 +/- 4.20   0.005% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  25.72 +/- 3.68   0.000% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  27.05 +/- 4.60   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  31.77 +/- 3.96   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.453, support = 3.64, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.58 +/- 0.47  76.035% * 36.8420% (0.38   3.60  22.52) =  66.238%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.01 +/- 1.24  23.246% * 61.4048% (0.61   3.72  22.52) =  33.753%  kept
          HN    ALA   91 - HB2   ASP-  86  10.86 +/- 1.38   0.692% *  0.5152% (0.95   0.02   0.02) =   0.008%
          HN    TRP   27 - HB2   ASP-  86  16.07 +/- 3.87   0.025% *  0.5256% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  23.75 +/- 2.37   0.001% *  0.4884% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  28.66 +/- 3.54   0.000% *  0.2239% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   3.11 +/- 0.55  98.317% * 98.2344% (0.22 10.00   2.25  10.82) =  99.997%  kept
          HB3   SER   82 - HB2   ASP-  86   6.37 +/- 0.64   1.669% *  0.1814% (0.41  1.00   0.02   0.02) =   0.003%
          HB2   CYS   53 - HB2   ASP-  86  18.48 +/- 2.05   0.007% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.06 +/- 2.70   0.004% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   ASP-  86  22.47 +/- 3.97   0.002% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.86 +/- 2.51   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  27.49 +/- 3.39   0.000% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  28.59 +/- 3.44   0.000% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  30.81 +/- 3.74   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   2.73 +/- 0.02  99.998% * 99.2641% (0.49  10.0   4.05  41.93) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  21.89 +/- 4.01   0.001% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.48 +/- 4.18   0.001% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  29.27 +/- 4.60   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  27.75 +/- 3.89   0.000% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  33.94 +/- 3.56   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.35 +/- 0.14  99.812% * 98.5874% (0.99   3.58  74.39) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.75 +/- 0.68   0.174% *  0.4826% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  18.89 +/- 4.85   0.013% *  0.2927% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  24.93 +/- 1.94   0.001% *  0.5135% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  29.91 +/- 3.23   0.000% *  0.1239% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.48 +/- 0.07  99.957% * 99.7445% (0.99  10.0   3.26  74.39) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.65 +/- 0.80   0.036% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  18.15 +/- 5.68   0.007% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  24.02 +/- 2.46   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  28.99 +/- 4.00   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.02 +/- 0.05  98.036% * 99.7445% (0.99  10.0   3.26  74.39) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   8.06 +/- 0.74   1.864% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  17.51 +/- 4.96   0.095% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   87  22.50 +/- 2.24   0.004% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  27.75 +/- 3.52   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.81 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.31, residual support = 22.9:
          QD1   ILE   89 - HB2   TRP   87   3.66 +/- 0.34  95.680% * 64.0298% (0.90   2.33  23.14) =  97.569%  kept
          QG2   VAL   83 - HB2   TRP   87   6.57 +/- 1.35   4.297% * 35.5260% (1.00   1.16  11.84) =   2.431%  kept
          QD2   LEU   31 - HB2   TRP   87  17.36 +/- 4.46   0.023% *  0.4442% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.97, residual support = 23.1:
        T QD1   ILE   89 - HB3   TRP   87   2.26 +/- 0.31  99.149% * 99.8495% (0.45 10.00   3.97  23.14) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.71 +/- 1.38   0.794% *  0.0496% (0.22  1.00   0.02  11.84) =   0.000%
          QG2   VAL   75 - HB3   TRP   87  10.51 +/- 3.27   0.056% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  18.31 +/- 3.00   0.001% *  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 = 0.223, support = 0.75, residual support = 23.1:
          HG12  ILE   89 - HB3   TRP   87   2.65 +/- 0.60  99.703% * 54.8868% (0.22   0.75  23.14) =  99.970%  kept
          QB    ALA   91 - HB3   TRP   87   8.25 +/- 1.26   0.283% *  5.7027% (0.87   0.02   0.02) =   0.029%
          QG2   ILE   56 - HB3   TRP   87  15.05 +/- 1.98   0.006% *  2.7027% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   TRP   87  17.13 +/- 3.14   0.002% *  5.8960% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  19.10 +/- 4.59   0.004% *  1.1513% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  23.29 +/- 3.32   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  24.84 +/- 4.11   0.000% *  6.5596% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  20.76 +/- 3.80   0.001% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  25.58 +/- 4.73   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  28.56 +/- 3.82   0.000% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  31.98 +/- 4.39   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.6:
      O   HN    ALA   88 - HA    ALA   88   2.32 +/- 0.18  99.999% * 99.0353% (0.38  10.0   1.63  11.59) = 100.000%  kept
          HN    PHE   55 - HA    ALA   88  19.98 +/- 1.08   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  18.31 +/- 0.75   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  24.68 +/- 3.31   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  26.14 +/- 1.06   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 = 1.99, residual support = 11.6:
      O   HN    ALA   88 - QB    ALA   88   2.58 +/- 0.22  99.995% * 99.2053% (0.38  10.0   1.99  11.59) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  17.00 +/- 1.11   0.002% *  0.2310% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.76 +/- 0.83   0.002% *  0.1194% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  21.35 +/- 3.01   0.001% *  0.2310% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  22.42 +/- 0.89   0.000% *  0.2133% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 213.9:
          QD1   ILE   89 - HA    ILE   89   2.31 +/- 0.66  93.199% * 99.6619% (0.92   5.98 213.91) =  99.982%  kept
          QG2   VAL   83 - HA    ILE   89   5.68 +/- 1.44   6.800% *  0.2481% (0.69   0.02   0.02) =   0.018%
          QD2   LEU   31 - HA    ILE   89  17.20 +/- 2.49   0.001% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.04, residual support = 37.1:
      O   HN    GLN   90 - HA    ILE   89   2.21 +/- 0.01  99.988% * 99.8365% (0.99  10.0   6.04  37.07) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  10.67 +/- 0.42   0.008% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  12.91 +/- 1.82   0.004% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  24.17 +/- 1.89   0.000% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.98, residual support = 213.9:
      O   HN    ILE   89 - HA    ILE   89   2.83 +/- 0.02  99.996% * 99.6601% (0.76  10.0   5.98 213.91) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  17.66 +/- 2.65   0.003% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  23.60 +/- 1.79   0.000% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  29.96 +/- 2.96   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  26.21 +/- 3.06   0.000% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 2.44, residual support = 8.57:
          HN    ALA   91 - HA    ILE   89   3.85 +/- 0.41  80.787% * 80.1761% (0.95   2.49   7.83) =  95.171%  kept
          HD1   TRP   87 - HA    ILE   89   5.06 +/- 0.51  18.381% * 17.8620% (0.38   1.40  23.14) =   4.824%  kept
          HE3   TRP   87 - HA    ILE   89   8.35 +/- 0.22   0.813% *  0.4132% (0.61   0.02  23.14) =   0.005%
          HN    TRP   27 - HA    ILE   89  17.56 +/- 3.05   0.014% *  0.6575% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  19.84 +/- 1.24   0.004% *  0.6110% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  28.91 +/- 2.69   0.000% *  0.2801% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.736, support = 5.24, residual support = 210.7:
      O T QD1   ILE   89 - HB    ILE   89   3.07 +/- 0.30  60.272% * 97.3376% (0.74  10.0 10.00   5.31 213.91) =  98.489%  kept
          QG2   VAL   83 - HB    ILE   89   3.77 +/- 1.39  38.261% *  2.3503% (0.55   1.0  1.00   0.65   0.02) =   1.510%  kept
        T QD2   LEU   31 - HB    VAL   43   7.00 +/- 1.37   1.253% *  0.0574% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HB    VAL   43  11.18 +/- 2.71   0.136% *  0.2126% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB    VAL   43  11.39 +/- 2.40   0.073% *  0.0158% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  16.63 +/- 2.35   0.005% *  0.0263% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 213.9:
      O T HG13  ILE   89 - HB    ILE   89   2.50 +/- 0.19  99.994% * 99.7821% (0.78  10.0 10.00   4.97 213.91) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  13.79 +/- 2.70   0.006% *  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 = 5.55, residual support = 213.9:
      O   HN    ILE   89 - HB    ILE   89   2.45 +/- 0.31  99.948% * 99.5645% (0.61  10.0   5.55 213.91) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.68 +/- 0.67   0.038% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  16.47 +/- 2.73   0.002% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.91 +/- 0.64   0.003% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  16.08 +/- 2.22   0.002% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.27 +/- 1.14   0.002% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  14.05 +/- 1.26   0.004% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  24.24 +/- 2.16   0.000% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  29.26 +/- 2.85   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  25.29 +/- 2.98   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  14.25 +/- 1.70 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.48 A violated in 20 structures by 10.77 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 1.41, residual support = 23.1:
          HD1   TRP   87 - QG2   ILE   89   3.90 +/- 0.11  99.857% * 95.6684% (0.95   1.41  23.14) =  99.999%  kept
          HN    TRP   27 - QG2   ILE   89  13.10 +/- 2.36   0.131% *  0.4907% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   ILE   89  20.42 +/- 1.43   0.005% *  1.1520% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE   89  22.52 +/- 2.08   0.003% *  1.3280% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  23.25 +/- 2.34   0.003% *  1.3609% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 6.91, residual support = 37.1:
          HN    GLN   90 - QG2   ILE   89   3.34 +/- 0.19  99.299% * 99.1493% (0.61   6.91  37.07) =  99.997%  kept
          HN    SER   82 - QG2   ILE   89   7.85 +/- 0.80   0.691% *  0.4370% (0.92   0.02   0.02) =   0.003%
          HN    ILE  103 - QG2   ILE   89  19.24 +/- 1.61   0.003% *  0.1946% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  18.58 +/- 2.07   0.005% *  0.0730% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  21.35 +/- 1.84   0.002% *  0.1461% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.02, residual support = 4.66:
        T HB2   PHE   45 - QG2   ILE   89   6.47 +/- 1.84  92.651% * 86.3628% (0.97 10.00   0.02   4.69) =  99.304%  kept
          QE    LYS+ 111 - QG2   ILE   89  13.39 +/- 2.49   5.086% *  8.9290% (1.00  1.00   0.02   0.02) =   0.564%  kept
          HB2   CYS   21 - QG2   ILE   89  12.92 +/- 2.32   2.263% *  4.7082% (0.53  1.00   0.02   0.02) =   0.132%
    Distance limit 3.93 A violated in 19 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.233, support = 5.09, residual support = 31.8:
          QG    GLN   90 - QG2   ILE   89   4.45 +/- 0.41  46.518% * 78.1698% (0.15   5.90  37.07) =  85.820%  kept
          HG2   MET   92 - QG2   ILE   89   6.33 +/- 2.77  39.780% * 14.7903% (0.73   0.24   0.02) =  13.886%  kept
          HB2   GLU-  79 - QG2   ILE   89   7.69 +/- 2.16  12.135% *  0.9727% (0.57   0.02   0.02) =   0.279%
          HG2   PRO   52 - QG2   ILE   89   8.99 +/- 2.15   1.085% *  0.3825% (0.22   0.02   0.02) =   0.010%
          HB2   ASP-  44 - QG2   ILE   89  10.73 +/- 1.87   0.376% *  0.4777% (0.28   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  13.97 +/- 2.17   0.052% *  1.1114% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   72 - QG2   ILE   89  14.61 +/- 1.81   0.043% *  0.3400% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  20.76 +/- 1.86   0.004% *  0.6448% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  20.76 +/- 2.40   0.005% *  0.4284% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  24.99 +/- 2.53   0.001% *  1.2475% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  27.56 +/- 2.72   0.001% *  1.4350% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.878, support = 0.245, residual support = 1.35:
          HB3   ASP-  86 - QG2   ILE   89   5.87 +/- 1.50  49.460% * 67.0546% (1.00  1.00   0.32   0.31) =  76.183%  kept
        T HB3   PHE   45 - QG2   ILE   89   5.61 +/- 1.85  50.101% * 20.6810% (0.49 10.00   0.02   4.69) =  23.801%  kept
          QE    LYS+ 112 - QG2   ILE   89  14.59 +/- 1.94   0.149% *  2.0681% (0.49  1.00   0.02   0.02) =   0.007%
          HG3   MET   96 - QG2   ILE   89  13.69 +/- 1.53   0.105% *  1.4493% (0.34  1.00   0.02   0.02) =   0.004%
          HB    VAL  107 - QG2   ILE   89  13.46 +/- 1.85   0.148% *  0.6556% (0.15  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QG2   ILE   89  18.44 +/- 2.35   0.018% *  4.1004% (0.97  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QG2   ILE   89  18.17 +/- 1.34   0.017% *  3.2470% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QG2   ILE   89  25.57 +/- 2.68   0.002% *  0.7441% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.46 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.445, support = 2.54, residual support = 10.3:
          QB    ALA   84 - QG2   ILE   89   3.92 +/- 0.74  78.557% * 32.5429% (0.49   1.75  11.20) =  76.709%  kept
          QB    ALA   88 - QG2   ILE   89   5.46 +/- 0.39  12.543% * 61.3707% (0.31   5.20   7.51) =  23.098%  kept
          HB3   LEU   80 - QG2   ILE   89   6.70 +/- 1.77   7.887% *  0.7585% (0.99   0.02   0.02) =   0.180%
          HB3   PRO   93 - QG2   ILE   89   8.91 +/- 1.23   0.619% *  0.3431% (0.45   0.02   0.02) =   0.006%
          HB3   ASP-  44 - QG2   ILE   89  10.41 +/- 1.66   0.280% *  0.6639% (0.87   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - QG2   ILE   89  14.02 +/- 2.58   0.063% *  0.7386% (0.97   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  15.83 +/- 1.48   0.017% *  0.7240% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  17.72 +/- 2.36   0.010% *  0.7585% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   ILE   89  16.06 +/- 1.67   0.016% *  0.4642% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  21.62 +/- 1.72   0.003% *  0.5557% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  22.39 +/- 1.62   0.002% *  0.5849% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  25.01 +/- 2.37   0.001% *  0.4951% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.79, residual support = 213.9:
      O T HG13  ILE   89 - QG2   ILE   89   2.43 +/- 0.22 100.000% *100.0000% (0.98  10.0 10.00   5.79 213.91) = 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 = 0.905, support = 5.97, residual support = 197.6:
        T QD1   ILE   89 - QG2   ILE   89   2.00 +/- 0.14  73.125% * 81.6208% (0.92 10.00   6.41 213.91) =  92.366%  kept
        T QG2   VAL   83 - QG2   ILE   89   3.44 +/- 1.42  26.873% * 18.3572% (0.69 10.00   0.60   0.02) =   7.634%  kept
          QD2   LEU   31 - QG2   ILE   89  13.15 +/- 1.86   0.001% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.35, residual support = 213.9:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.01  96.030% * 99.4549% (0.92  10.0 10.00   5.35 213.91) =  99.997%  kept
          QG2   VAL   83 - HG12  ILE   89   4.29 +/- 1.22   3.962% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HG3   LYS+  99  10.75 +/- 0.84   0.007% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  22.31 +/- 2.75   0.000% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  16.65 +/- 3.03   0.001% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  22.50 +/- 2.84   0.000% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.08, residual support = 213.9:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.08 213.91) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  27.22 +/- 3.12   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 5.19, residual support = 209.7:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.01  78.497% * 93.1300% (0.90  10.0 10.00   5.27 213.91) =  98.041%  kept
          QG2   VAL   83 - HG13  ILE   89   3.57 +/- 1.39  21.502% *  6.7946% (1.00   1.0  1.00   1.31   0.02) =   1.959%  kept
          QD2   LEU   31 - HG13  ILE   89  15.76 +/- 2.93   0.001% *  0.0754% (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 = 5.79, residual support = 213.9:
      O T QG2   ILE   89 - HG13  ILE   89   2.43 +/- 0.22  98.182% * 99.9734% (0.84  10.0 10.00   5.79 213.91) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   5.29 +/- 1.14   1.818% *  0.0266% (0.22   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 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 213.9:
      O T HB    ILE   89 - HG13  ILE   89   2.50 +/- 0.19  99.968% * 98.8208% (0.49  10.0 10.00   4.97 213.91) = 100.000%  kept
        T HB    VAL   43 - HG13  ILE   89  13.79 +/- 2.70   0.006% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG13  ILE   89  10.26 +/- 1.24   0.025% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  25.79 +/- 2.88   0.000% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  25.75 +/- 2.78   0.000% *  0.0313% (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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 213.9:
          HN    ILE   89 - HG13  ILE   89   3.55 +/- 0.27  99.952% * 98.7744% (0.76   5.50 213.91) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  16.01 +/- 3.68   0.044% *  0.4216% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  23.61 +/- 3.11   0.002% *  0.4447% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  28.23 +/- 3.58   0.001% *  0.2662% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  24.31 +/- 3.74   0.001% *  0.0930% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.66, residual support = 213.9:
          HN    ILE   89 - HG12  ILE   89   2.21 +/- 0.35  99.979% * 98.1964% (0.76   5.66 213.91) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.40 +/- 1.01   0.015% *  0.1042% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  17.36 +/- 3.51   0.001% *  0.4070% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  15.62 +/- 1.20   0.001% *  0.1741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.83 +/- 1.06   0.003% *  0.0364% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  24.64 +/- 2.79   0.000% *  0.4293% (0.95   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  18.75 +/- 1.11   0.000% *  0.1651% (0.36   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  29.39 +/- 3.67   0.000% *  0.2570% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  25.42 +/- 3.84   0.000% *  0.0898% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  29.74 +/- 2.62   0.000% *  0.1407% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 213.9:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 213.91) = 100.000%  kept
    Distance limit 2.54 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 = 6.41, residual support = 213.9:
        T QG2   ILE   89 - QD1   ILE   89   2.00 +/- 0.14  99.358% * 99.7342% (0.84 10.00   6.41 213.91) =  99.998%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.55 +/- 1.19   0.642% *  0.2658% (0.22 10.00   0.02   0.02) =   0.002%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.35, residual support = 213.9:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.01  99.986% * 99.2664% (1.00  10.0 10.00   5.35 213.91) = 100.000%  kept
          HG3   LYS+ 111 - QD1   ILE   89  14.21 +/- 3.69   0.005% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   89  12.13 +/- 2.34   0.007% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  22.31 +/- 2.75   0.000% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  17.67 +/- 2.99   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  19.69 +/- 3.38   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  18.68 +/- 2.81   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  18.94 +/- 2.88   0.000% *  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 = 213.9:
      O T HB    ILE   89 - QD1   ILE   89   3.07 +/- 0.30  99.684% * 98.8208% (0.49  10.0 10.00   5.31 213.91) =  99.998%  kept
        T HB    VAL   43 - QD1   ILE   89  11.18 +/- 2.71   0.170% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD1   ILE   89   9.66 +/- 0.82   0.143% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  21.04 +/- 2.52   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  21.02 +/- 2.39   0.001% *  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 = 0.538, support = 0.0198, residual support = 0.0198:
        T HB3   MET   96 - QD1   ILE   89  11.74 +/- 2.14  66.479% * 63.9859% (0.53 10.00   0.02   0.02) =  93.430%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.97 +/- 1.14  18.123% * 10.5495% (0.87  1.00   0.02   0.02) =   4.199%  kept
          HB    VAL   18 - QD1   ILE   89  16.32 +/- 2.27   9.819% *  7.3765% (0.61  1.00   0.02   0.02) =   1.591%  kept
          HB2   LEU   40 - QD1   ILE   89  20.93 +/- 2.64   2.019% * 10.9071% (0.90  1.00   0.02   0.02) =   0.484%
          HB2   LEU   67 - QD1   ILE   89  20.36 +/- 2.30   2.397% *  4.1485% (0.34  1.00   0.02   0.02) =   0.218%
          HB3   GLU-  14 - QD1   ILE   89  23.76 +/- 3.28   1.163% *  3.0326% (0.25  1.00   0.02   0.02) =   0.077%
    Distance limit 3.51 A violated in 20 structures by 7.45 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 23.1:
        T HB3   TRP   87 - QD1   ILE   89   2.26 +/- 0.31  99.995% * 99.8369% (0.76 10.00   3.97  23.14) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89  13.53 +/- 2.18   0.005% *  0.0177% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  20.29 +/- 2.94   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  25.76 +/- 3.64   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 = 0.507, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  15.34 +/- 1.92  62.741% * 62.4025% (0.57   0.02   0.02) =  73.649%  kept
          HB    THR  118 - QD1   ILE   89  16.89 +/- 2.48  37.259% * 37.5975% (0.34   0.02   0.02) =  26.351%  kept
    Distance limit 2.89 A violated in 20 structures by 11.21 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.11, residual support = 4.69:
          QD    PHE   45 - QD1   ILE   89   5.92 +/- 2.65  99.233% * 91.5330% (0.45   1.12   4.69) =  99.973%  kept
          HD2   HIS  122 - QD1   ILE   89  19.30 +/- 2.51   0.330% *  3.6291% (0.99   0.02   0.02) =   0.013%
          HE22  GLN  116 - QD1   ILE   89  21.79 +/- 3.18   0.296% *  3.5890% (0.98   0.02   0.02) =   0.012%
          HE22  GLN   17 - QD1   ILE   89  21.34 +/- 2.73   0.140% *  1.2490% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 12 structures by 2.48 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.938, support = 2.55, residual support = 23.1:
          HN    TRP   87 - QD1   ILE   89   3.95 +/- 0.57  85.904% * 79.0768% (0.97   2.56  23.14) =  96.080%  kept
          HE3   TRP   87 - QD1   ILE   89   5.47 +/- 0.28  14.086% * 19.6777% (0.28   2.21  23.14) =   3.920%  kept
          HN    GLN   17 - QD1   ILE   89  21.11 +/- 2.46   0.007% *  0.6400% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  24.07 +/- 2.54   0.003% *  0.6055% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.87, residual support = 213.9:
          HN    ILE   89 - QD1   ILE   89   3.29 +/- 0.34  99.933% * 98.8505% (0.76   5.87 213.91) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  13.95 +/- 3.11   0.058% *  0.3955% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  19.06 +/- 2.47   0.005% *  0.4171% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  23.60 +/- 3.21   0.001% *  0.2497% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  20.50 +/- 3.31   0.003% *  0.0873% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.99, residual support = 95.2:
          HN    GLN   90 - QG    GLN   90   2.63 +/- 0.38  99.992% * 99.2685% (0.69   5.99  95.16) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  13.29 +/- 0.79   0.008% *  0.3313% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  24.51 +/- 1.22   0.000% *  0.4002% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.56, residual support = 95.2:
      O   HN    GLN   90 - HB3   GLN   90   3.39 +/- 0.36  99.890% * 99.8365% (0.83  10.0   5.56  95.16) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  12.10 +/- 1.17   0.083% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.93 +/- 1.08   0.026% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  26.94 +/- 1.15   0.000% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.79, residual support = 53.4:
      O   HN    GLU-  79 - HB3   GLU-  79   2.86 +/- 0.37  99.511% * 98.3257% (0.16  10.0   3.80  53.41) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   9.39 +/- 0.82   0.176% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79   9.71 +/- 1.39   0.206% *  0.2703% (0.44   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB2   GLN   90  10.80 +/- 1.25   0.066% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  11.83 +/- 0.50   0.025% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.30 +/- 1.51   0.014% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  20.26 +/- 2.86   0.001% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  28.17 +/- 1.72   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 = 4.13, residual support = 53.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.92 +/- 0.21  97.831% * 97.1719% (0.57  10.0 10.00   4.14  53.41) =  99.997%  kept
          HB    THR   77 - HB2   GLN   90   6.36 +/- 1.04   1.368% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB3   GLU-  79   7.38 +/- 0.44   0.446% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.71 +/- 1.42   0.021% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   8.97 +/- 1.34   0.188% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  10.85 +/- 1.87   0.080% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.14 +/- 1.46   0.030% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.15 +/- 1.55   0.018% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.42 +/- 0.54   0.005% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.67 +/- 1.00   0.003% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.00 +/- 1.32   0.003% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.06 +/- 0.77   0.004% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  23.64 +/- 2.48   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  25.53 +/- 0.64   0.000% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  25.61 +/- 1.89   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  31.63 +/- 0.95   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.45 +/- 3.46   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.33 +/- 1.66   0.000% *  0.0941% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.618, support = 0.58, residual support = 0.573:
          QB    ALA   88 - QG    GLN   90   3.68 +/- 0.77  86.763% * 91.1650% (0.62   0.58   0.58) =  99.263%  kept
          QG2   THR   77 - QG    GLN   90   6.02 +/- 1.40  13.169% *  4.4503% (0.88   0.02   0.02) =   0.735%  kept
          QG2   THR   23 - QG    GLN   90  12.53 +/- 1.67   0.067% *  1.7040% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  28.12 +/- 1.30   0.000% *  1.1321% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  31.05 +/- 2.03   0.000% *  1.5487% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.354, support = 0.0196, residual support = 0.0196:
          QG    LYS+  81 - QG    GLN   90   7.86 +/- 1.32  92.290% *  3.4351% (0.18   0.02   0.02) =  72.895%  kept
          HD3   LYS+  74 - QG    GLN   90  14.98 +/- 1.29   3.547% * 17.3194% (0.89   0.02   0.02) =  14.125%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.31 +/- 2.18   2.738% * 17.3580% (0.90   0.02   0.02) =  10.926%  kept
          HB3   LYS+ 121 - QG    GLN   90  25.68 +/- 1.30   0.120% * 17.0143% (0.88   0.02   0.02) =   0.470%
          HG    LEU  104 - QG    GLN   90  25.62 +/- 1.19   0.102% * 17.0143% (0.88   0.02   0.02) =   0.400%
          QD    LYS+  66 - QG    GLN   90  24.13 +/- 1.15   0.166% *  9.8273% (0.51   0.02   0.02) =   0.375%
          HG2   LYS+ 106 - QG    GLN   90  19.35 +/- 1.21   0.543% *  2.6782% (0.14   0.02   0.02) =   0.335%
          HG2   LYS+  65 - QG    GLN   90  23.82 +/- 1.45   0.271% *  3.0399% (0.16   0.02   0.02) =   0.189%
          HG2   LYS+  33 - QG    GLN   90  26.67 +/- 2.09   0.083% *  8.4490% (0.44   0.02   0.02) =   0.161%
          HD2   LYS+ 121 - QG    GLN   90  25.11 +/- 1.34   0.141% *  3.8645% (0.20   0.02   0.02) =   0.125%
    Distance limit 3.67 A violated in 20 structures by 4.05 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 64.0:
      O   HG3   MET   92 - HB2   MET   92   2.70 +/- 0.32  99.806% * 96.5136% (0.73  10.0  1.00   2.96  64.04) =  99.998%  kept
        T QG    GLN   90 - HB2   MET   92   8.47 +/- 0.95   0.156% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB2   MET   92  12.01 +/- 0.85   0.017% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.56 +/- 0.59   0.002% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  16.15 +/- 0.86   0.003% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.82 +/- 2.47   0.013% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  17.15 +/- 1.08   0.002% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.11 +/- 1.43   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.91 +/- 1.21   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  23.81 +/- 1.84   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.03 +/- 0.97   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 = 64.0:
      O   HN    MET   92 - HB2   MET   92   2.35 +/- 0.35  99.897% * 99.7272% (0.92  10.0   3.94  64.04) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   9.04 +/- 1.10   0.091% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.58 +/- 1.64   0.009% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  15.65 +/- 1.49   0.003% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.58 +/- 1.73   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.0:
      O T HA    MET   92 - HB2   MET   92   2.99 +/- 0.10  99.998% * 99.8006% (0.61  10.0 10.00   3.87  64.04) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  19.57 +/- 0.78   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.88 +/- 1.21   0.001% *  0.1318% (0.80   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.26, residual support = 64.0:
      O   HG3   MET   92 - HB3   MET   92   2.71 +/- 0.27  99.872% * 99.2141% (0.73  10.0   3.26  64.04) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.33 +/- 0.83   0.086% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.43 +/- 0.76   0.022% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.86 +/- 0.94   0.004% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  16.58 +/- 0.90   0.002% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.12 +/- 1.83   0.009% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.54 +/- 0.51   0.003% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.02 +/- 1.45   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.34 +/- 1.03   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.71 +/- 1.32   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.53 +/- 0.64   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.19, residual support = 64.0:
      O T HA    MET   92 - HB3   MET   92   2.74 +/- 0.14  99.999% * 99.8006% (0.61  10.0 10.00   4.19  64.04) = 100.000%  kept
          HA    VAL   41 - HB3   MET   92  19.10 +/- 0.52   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  21.78 +/- 1.22   0.000% *  0.1318% (0.80   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 = 64.0:
      O T HA    MET   92 - HG2   MET   92   2.53 +/- 0.38  99.999% * 99.8006% (0.61  10.0 10.00   2.49  64.04) = 100.000%  kept
          HA    VAL   41 - HG2   MET   92  21.40 +/- 0.67   0.000% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  24.13 +/- 1.33   0.000% *  0.1318% (0.80   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.294, support = 0.0199, residual support = 2.29:
          HB2   SER   37 - QG2   THR   39   3.29 +/- 0.57  99.671% * 10.7941% (0.30   0.02   2.30) =  99.402%  kept
          HA1   GLY   16 - QG2   THR   39  10.26 +/- 1.31   0.239% * 21.7367% (0.60   0.02   0.02) =   0.480%
          HA    LYS+  66 - QG2   THR   39  11.96 +/- 1.02   0.064% * 16.6488% (0.46   0.02   0.02) =   0.098%
          HB2   SER   37 - QG2   THR   23  17.07 +/- 0.86   0.012% *  6.0571% (0.17   0.02   0.02) =   0.007%
          HA1   GLY   16 - QG2   THR   23  17.93 +/- 0.47   0.006% * 12.1974% (0.33   0.02   0.02) =   0.006%
          HA1   GLY   16 - QB    ALA   91  20.64 +/- 0.85   0.002% * 10.2645% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  20.94 +/- 0.99   0.002% *  9.3424% (0.26   0.02   0.02) =   0.002%
          HA    LYS+  66 - QB    ALA   91  20.99 +/- 0.85   0.002% *  7.8619% (0.22   0.02   0.02) =   0.002%
          HB2   SER   37 - QB    ALA   91  23.92 +/- 1.24   0.001% *  5.0972% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 1 structures by 0.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.27, residual support = 64.0:
      O   HN    MET   92 - HB3   MET   92   3.47 +/- 0.25  99.523% * 99.8535% (0.92  10.0   4.27  64.04) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   8.96 +/- 0.74   0.399% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  13.13 +/- 1.72   0.063% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.51 +/- 0.95   0.015% *  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 = 0.734, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.53 +/- 0.99  64.818% * 16.4223% (0.80   0.02   0.02) =  87.300%  kept
          HA    GLN   90 - HB3   MET   92   8.67 +/- 0.47  29.494% *  3.5917% (0.18   0.02   0.02) =   8.688%  kept
          HA    PHE   55 - HB3   MET   92  13.06 +/- 1.46   3.603% *  6.3300% (0.31   0.02   0.02) =   1.870%  kept
          HA    VAL   42 - HB3   MET   92  15.15 +/- 0.44   1.031% * 18.3930% (0.90   0.02   0.02) =   1.555%  kept
          HA    PRO   58 - HB3   MET   92  16.38 +/- 1.11   0.726% *  5.1139% (0.25   0.02   0.02) =   0.304%
          HA    GLN   17 - HB3   MET   92  21.40 +/- 0.72   0.135% * 17.7900% (0.87   0.02   0.02) =   0.198%
          HA    LEU   40 - HB3   MET   92  21.74 +/- 0.52   0.119% *  3.1644% (0.15   0.02   0.02) =   0.031%
          HA    SER   37 - HB3   MET   92  29.74 +/- 0.98   0.019% * 17.7900% (0.87   0.02   0.02) =   0.027%
          HA    GLU-  15 - HB3   MET   92  25.84 +/- 0.68   0.042% *  5.7022% (0.28   0.02   0.02) =   0.020%
          HA    SER   13 - HB3   MET   92  31.91 +/- 1.04   0.012% *  5.7022% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.14 A violated in 20 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 64.0:
      O T HA    MET   92 - HG3   MET   92   2.89 +/- 0.53  99.989% * 99.9198% (0.99  10.0 10.00   3.97  64.04) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.49 +/- 0.80   0.010% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.96 +/- 1.43   0.000% *  0.0311% (0.31   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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 64.0:
          HN    MET   92 - HG3   MET   92   3.93 +/- 0.45  99.411% * 99.2793% (0.92   4.04  64.04) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.04 +/- 0.59   0.490% *  0.4066% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  14.15 +/- 1.81   0.079% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  16.98 +/- 0.87   0.020% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   6.90 +/- 0.67  96.441% * 67.4545% (0.41   0.02   0.02) =  99.397%  kept
          HN    LYS+  65 - HB2   PRO   93  14.90 +/- 0.83   1.104% * 25.3164% (0.15   0.02   0.02) =   0.427%
          QD    PHE   45 - HG3   GLN   30  13.67 +/- 0.74   2.027% *  5.2564% (0.03   0.02   0.02) =   0.163%
          HN    LYS+  65 - HG3   GLN   30  17.47 +/- 1.09   0.429% *  1.9728% (0.01   0.02   0.02) =   0.013%
    Distance limit 4.24 A violated in 20 structures by 2.66 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   4.09 +/- 0.12  99.815% * 99.8806% (1.00  10.0   4.40  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  12.95 +/- 1.35   0.131% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  16.72 +/- 1.14   0.024% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.70 +/- 0.60   0.011% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  18.41 +/- 1.66   0.015% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  23.60 +/- 3.26   0.004% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.48 +/- 0.57  98.002% * 72.7108% (0.41   0.02   0.02) =  99.241%  kept
          HN    LYS+  65 - HG2   PRO   93  16.57 +/- 1.12   1.998% * 27.2892% (0.15   0.02   0.02) =   0.759%  kept
    Distance limit 4.08 A violated in 20 structures by 4.38 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 = 132.3:
      O   HB2   PRO   93 - HG3   PRO   93   2.47 +/- 0.25  99.866% * 98.6893% (0.84  10.0  1.00   5.30 132.29) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.06 +/- 1.48   0.064% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.47 +/- 1.00   0.064% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.26 +/- 1.24   0.005% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  23.47 +/- 1.08   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.83 +/- 1.06   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.99 +/- 0.55   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  24.27 +/- 1.11   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.10 +/- 1.94   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  95.990% * 96.9677% (0.99  10.0 10.00   3.97 132.29) =  99.998%  kept
          HB3   PRO   52 - HG3   PRO   93   4.23 +/- 1.45   4.010% *  0.0367% (0.38   1.0  1.00   0.02   0.44) =   0.002%
        T QB    LYS+  65 - HG3   PRO   93  16.19 +/- 0.95   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.12 +/- 0.60   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  18.98 +/- 1.50   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.66 +/- 0.71   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.84 +/- 1.17   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.98 +/- 0.97   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.94 +/- 0.91   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.96 +/- 1.44   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 = 132.3:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.416% * 97.0769% (0.95  10.0 10.00   3.97 132.29) =  99.998%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.29 +/- 2.48   0.202% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HG2   PRO   93   4.73 +/- 0.77   0.379% *  0.0947% (0.92   1.0  1.00   0.02   1.46) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.55 +/- 0.74   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.22 +/- 1.48   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.99 +/- 1.12   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.59 +/- 0.86   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.63 +/- 2.72   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.26 +/- 1.13   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.93 +/- 1.62   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.48 +/- 1.22   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.78 +/- 0.53   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 = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.45 +/- 0.26  86.611% * 99.5358% (0.97  10.0   3.97 132.29) =  99.987%  kept
          HB3   CYS   53 - HG3   PRO   93   4.54 +/- 2.30  12.801% *  0.0861% (0.84   1.0   0.02   0.02) =   0.013%
          QB    PHE   55 - HG3   PRO   93   6.12 +/- 0.86   0.521% *  0.1029% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   8.92 +/- 0.96   0.050% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.81 +/- 1.35   0.016% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  22.36 +/- 1.00   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.73 +/- 0.25  99.966% * 99.4436% (0.25  10.0   3.97 132.29) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  11.04 +/- 1.07   0.033% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  18.45 +/- 0.82   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  23.40 +/- 1.05   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  16.56 +/- 1.01 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.12 A violated in 20 structures by 12.44 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.71, support = 2.91, residual support = 6.3:
          HN    ALA  110 - HD2   PRO   93   4.86 +/- 1.68  89.942% * 83.6355% (0.71   2.95   6.42) =  98.057%  kept
          HN    PHE   45 - HD2   PRO   93   7.94 +/- 0.41   9.209% * 16.1742% (0.61   0.67   0.02) =   1.942%  kept
          HN    ASP-  44 - HD2   PRO   93  12.14 +/- 0.41   0.795% *  0.0892% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - HD2   PRO   93  19.26 +/- 0.89   0.053% *  0.1012% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 3 structures by 0.47 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.974, residual support = 0.966:
          HA1   GLY  109 - HD2   PRO   93   5.72 +/- 1.45  75.923% * 88.9108% (0.38   0.98   0.97) =  99.392%  kept
          HA    CYS   50 - HD2   PRO   93   8.03 +/- 1.98  22.680% *  1.6794% (0.35   0.02   0.02) =   0.561%  kept
          HA    TRP   49 - HD2   PRO   93  11.90 +/- 1.76   1.218% *  2.3700% (0.50   0.02   0.02) =   0.042%
          HA    CYS   21 - HD2   PRO   93  20.60 +/- 0.55   0.047% *  2.9929% (0.63   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD2   PRO   93  22.64 +/- 0.50   0.032% *  3.4426% (0.72   0.02   0.02) =   0.002%
          HA    ALA   20 - HD2   PRO   93  18.15 +/- 0.63   0.100% *  0.6042% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 10 structures by 1.22 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.42:
          QB    ALA  110 - HD2   PRO   93   4.37 +/- 1.72  89.974% * 93.8273% (0.69   2.31   6.42) =  99.971%  kept
          HB3   LEU  115 - HD2   PRO   93   9.68 +/- 1.50   8.144% *  0.1504% (0.13   0.02   0.02) =   0.015%
          QB    ALA   61 - HD2   PRO   93  12.84 +/- 0.91   0.881% *  0.8570% (0.72   0.02   0.02) =   0.009%
          HG    LEU   73 - HD2   PRO   93  16.70 +/- 1.08   0.230% *  0.5210% (0.44   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD2   PRO   93  15.32 +/- 0.69   0.339% *  0.2651% (0.22   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  17.11 +/- 3.28   0.075% *  0.8289% (0.70   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD2   PRO   93  15.28 +/- 2.86   0.129% *  0.4181% (0.35   0.02   0.02) =   0.001%
          QG    LYS+  66 - HD2   PRO   93  18.57 +/- 1.22   0.063% *  0.6878% (0.58   0.02   0.02) =   0.001%
          HB3   LEU   67 - HD2   PRO   93  21.03 +/- 1.15   0.037% *  0.8125% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.60 +/- 0.81   0.032% *  0.7703% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  18.42 +/- 1.28   0.056% *  0.2930% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.35 +/- 1.09   0.031% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.59 +/- 1.36   0.009% *  0.4181% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 4 structures by 0.81 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.525, support = 1.7, residual support = 10.2:
          QB    ALA  110 - HD3   PRO   93   4.78 +/- 1.44  40.919% * 56.9742% (0.78   0.75   6.42) =  63.936%  kept
          HB3   LEU   67 - HD3   PRO   68   4.25 +/- 0.38  49.363% * 26.0913% (0.08   3.44  17.20) =  35.322%  kept
          QG    LYS+  66 - HD3   PRO   68   6.11 +/- 0.81   9.011% *  2.9606% (0.05   0.62   0.02) =   0.732%  kept
          QB    ALA   61 - HD3   PRO   93  12.48 +/- 0.79   0.072% *  1.1331% (0.58   0.02   0.02) =   0.002%
          HB2   LEU   80 - HD3   PRO   93  14.76 +/- 2.66   0.041% *  1.6569% (0.85   0.02   0.02) =   0.002%
          HG12  ILE   19 - HD3   PRO   68  11.66 +/- 1.60   0.168% *  0.2878% (0.15   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.68 +/- 0.68   0.190% *  0.2017% (0.10   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  14.81 +/- 0.71   0.026% *  1.4025% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  16.71 +/- 2.92   0.020% *  1.4630% (0.75   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   68  15.18 +/- 2.30   0.035% *  0.2604% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  19.32 +/- 1.32   0.006% *  1.4630% (0.75   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.66 +/- 0.49   0.009% *  0.9215% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.07 +/- 1.16   0.038% *  0.1640% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.41 +/- 0.77   0.003% *  1.6169% (0.83   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.48 +/- 1.39   0.016% *  0.2496% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  16.77 +/- 1.05   0.013% *  0.3067% (0.16   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.66 +/- 1.18   0.006% *  0.5406% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.22 +/- 1.12   0.003% *  0.8526% (0.44   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.27 +/- 1.34   0.025% *  0.0867% (0.04   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.64 +/- 0.97   0.029% *  0.0546% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.97 +/- 1.23   0.006% *  0.2704% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.37 +/- 1.03   0.000% *  0.4870% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  27.04 +/- 2.43   0.001% *  0.2949% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  27.84 +/- 3.20   0.001% *  0.2604% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - HB    THR   94   7.54 +/- 1.64 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 3.27 A violated in 20 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.702, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HB    THR   94   8.05 +/- 1.91  59.419% * 49.6466% (0.77   0.02   0.02) =  68.920%  kept
          QG2   VAL   83 - HB    THR   94   9.80 +/- 3.33  33.405% * 36.9429% (0.57   0.02   0.02) =  28.832%  kept
          QD2   LEU   31 - HB    THR   94  12.33 +/- 0.86   7.176% * 13.4105% (0.21   0.02   0.02) =   2.248%  kept
    Distance limit 3.60 A violated in 19 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   3.36 +/- 0.90  99.768% * 99.8423% (0.81 10.00   2.96  27.19) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  11.85 +/- 1.63   0.183% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.46 +/- 1.13   0.049% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 2 structures by 0.31 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  12.25 +/- 0.89 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 9.32 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   2.59 +/- 0.16  99.981% * 99.8964% (0.83  10.0   3.08  25.32) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  13.15 +/- 2.04   0.012% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  15.22 +/- 2.72   0.007% *  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 = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   4.16 +/- 0.56  95.458% * 99.4994% (0.81   3.30  27.19) =  99.976%  kept
          HN    ALA  110 - HB    THR   94   7.84 +/- 1.65   4.542% *  0.5006% (0.67   0.02   0.02) =   0.024%
    Distance limit 4.15 A violated in 1 structures by 0.24 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   5.44 +/- 0.42 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.43 A violated in 20 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.15, residual support = 14.4:
          HN    PHE   95 - QG2   THR   94   2.44 +/- 0.39 100.000% *100.0000% (0.97   4.15  14.45) = 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 = 0.557, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.70 +/- 0.28  22.256% * 27.7167% (0.84   0.02   0.02) =  46.213%  kept
          HA    PHE   59 - HA    PHE   95  10.44 +/- 0.82  70.182% *  8.2742% (0.25   0.02   0.02) =  43.503%  kept
          HA    TRP   87 - HA    PHE   95  18.60 +/- 2.69   3.192% * 25.3593% (0.76   0.02   0.02) =   6.064%  kept
          HA    ASP-  86 - HA    PHE   95  19.81 +/- 3.23   3.263% * 12.4539% (0.38   0.02   0.02) =   3.045%  kept
          HA    GLU-  14 - HA    PHE   95  21.82 +/- 0.80   0.887% * 14.8769% (0.45   0.02   0.02) =   0.989%  kept
          HA    ALA   12 - HA    PHE   95  27.48 +/- 1.16   0.219% * 11.3190% (0.34   0.02   0.02) =   0.185%
    Distance limit 3.46 A violated in 20 structures by 6.35 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   2.37 +/- 0.40  99.983% * 99.8140% (0.87   3.44  73.52) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.73 +/- 0.30   0.017% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.03  99.994% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.18 +/- 0.40   0.006% *  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  73.52) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.35 +/- 0.08  99.993% * 99.9680% (0.87  10.0   3.00  73.52) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.80 +/- 0.57   0.007% *  0.0320% (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 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   2.67 +/- 0.13  99.985% * 99.9680% (0.87  10.0   3.31  73.52) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.85 +/- 0.76   0.015% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.62 +/- 0.12 100.000% *100.0000% (0.53  10.0   4.20  73.52) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.56 +/- 0.20 100.000% *100.0000% (0.53  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.6:
          QG2   VAL  107 - HB3   PHE   95   4.42 +/- 0.42  92.947% * 95.9753% (0.84   1.74  45.63) =  99.954%  kept
          HG13  ILE  119 - HB3   PHE   95   7.58 +/- 1.04   5.610% *  0.5445% (0.41   0.02   0.02) =   0.034%
          HG13  ILE  103 - HB3   PHE   95   9.79 +/- 0.71   0.941% *  0.4971% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HB3   PHE   95  11.90 +/- 1.17   0.323% *  1.2982% (0.98   0.02   0.02) =   0.005%
          QB    ALA   20 - HB3   PHE   95  13.65 +/- 0.71   0.131% *  1.1878% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   PHE   95  16.60 +/- 1.30   0.048% *  0.4971% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 4 structures by 0.57 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.58, support = 1.57, residual support = 3.45:
          QD1   LEU   63 - HB3   PHE   95   3.86 +/- 0.64  90.766% * 62.7093% (0.57   1.62   3.42) =  95.624%  kept
          QD2   LEU  115 - HB3   PHE   95   6.89 +/- 0.98   7.932% * 32.6799% (0.90   0.53   4.20) =   4.355%  kept
          QD1   LEU  104 - HB3   PHE   95  10.10 +/- 0.75   0.394% *  1.3683% (1.00   0.02   0.02) =   0.009%
          QD1   LEU   73 - HB3   PHE   95   9.30 +/- 0.48   0.588% *  0.7747% (0.57   0.02   0.02) =   0.008%
          QG1   VAL   83 - HB3   PHE   95  15.40 +/- 3.32   0.146% *  0.9936% (0.73   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   PHE   95  15.54 +/- 3.63   0.052% *  1.2631% (0.92   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB3   PHE   95  12.53 +/- 1.60   0.122% *  0.2111% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.75, residual support = 1.48:
          QG1   VAL   42 - HB3   PHE   95   3.72 +/- 0.43  98.795% * 93.8162% (0.65   0.75   1.48) =  99.973%  kept
          QB    ALA   64 - HB3   PHE   95   8.48 +/- 0.87   0.942% *  2.0347% (0.53   0.02   0.02) =   0.021%
          QB    ALA   47 - HB3   PHE   95  11.38 +/- 0.63   0.168% *  2.9555% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HB3   PHE   95  12.81 +/- 1.23   0.095% *  1.1936% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.6:
          QG2   VAL  107 - HB2   PHE   95   3.32 +/- 0.46  98.588% * 94.2659% (0.34   3.59  45.63) =  99.980%  kept
          HG13  ILE  119 - HB2   PHE   95   7.71 +/- 0.86   1.230% *  1.3789% (0.90   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HB2   PHE   95  11.86 +/- 1.06   0.069% *  0.8705% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   PHE   95  14.72 +/- 0.51   0.017% *  1.4193% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  13.05 +/- 1.47   0.054% *  0.3043% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  12.78 +/- 1.45   0.035% *  0.4275% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  17.64 +/- 1.37   0.007% *  1.3337% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.6:
        T HB    VAL  107 - HB2   PHE   95   2.32 +/- 0.37  99.933% * 99.6841% (0.80 10.00   4.31  45.63) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.24 +/- 0.59   0.051% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  10.78 +/- 1.36   0.014% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.24 +/- 1.58   0.001% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.77 +/- 1.05   0.000% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.78 +/- 0.40   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - QG2   THR   94   7.66 +/- 1.79  53.806% * 49.6466% (0.92   0.02   0.02) =  66.310%  kept
          QG2   VAL   83 - QG2   THR   94   9.19 +/- 3.20  31.348% * 36.9429% (0.69   0.02   0.02) =  28.748%  kept
          QD2   LEU   31 - QG2   THR   94   9.90 +/- 0.83  14.846% * 13.4105% (0.25   0.02   0.02) =   4.942%  kept
    Distance limit 3.06 A violated in 19 structures by 3.57 A, eliminated.
    Peak unassigned.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   2.90 +/- 0.63 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.28 A violated in 2 structures by 0.14 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.8:
      O   HN    PHE   97 - HA    MET   96   2.27 +/- 0.10  99.993% * 99.8692% (0.88  10.0   6.07  45.84) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.50 +/- 0.76   0.006% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  14.94 +/- 0.71   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.5:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.00 100.000% *100.0000% (0.63  10.0   4.09 115.54) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 1.9, residual support = 9.18:
        T QE    PHE   45 - HB2   MET   96   5.21 +/- 1.64  87.321% * 98.2340% (0.49 10.00   1.90   9.18) =  99.935%  kept
        T HZ    PHE   72 - HB2   MET   96  10.91 +/- 1.00   2.518% *  1.6203% (0.76 10.00   0.02   0.02) =   0.048%
          QD    PHE   72 - HB2   MET   96   8.67 +/- 0.74  10.161% *  0.1456% (0.69  1.00   0.02   0.02) =   0.017%
    Distance limit 3.74 A violated in 9 structures by 1.51 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.8:
          HN    PHE   97 - HB2   MET   96   4.00 +/- 0.10  99.896% * 99.4519% (0.92   6.07  45.84) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.06 +/- 0.60   0.056% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.57 +/- 0.88   0.047% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  28.35 +/- 1.59   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.12 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   2.78 +/- 0.16 100.000% *100.0000% (0.65  10.0   4.06 115.54) = 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 = 0.65, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.63 +/- 0.88  21.922% * 81.6578% (0.99   0.02   0.02) =  55.555%  kept
          QD    PHE   72 - HB3   MET   96   9.31 +/- 0.70  78.078% * 18.3422% (0.22   0.02   0.02) =  44.445%  kept
    Distance limit 3.60 A violated in 20 structures by 5.32 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   2.66 +/- 0.15 100.000% *100.0000% (0.65  10.0   3.97 115.54) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.66 +/- 0.54  99.195% * 94.5898% (0.73   2.00  16.41) =  99.993%  kept
          QG1   VAL   41 - HB2   MET   96   7.10 +/- 0.42   0.568% *  0.6853% (0.53   0.02   0.02) =   0.004%
          QD2   LEU  104 - HB2   MET   96   9.02 +/- 0.83   0.138% *  1.0431% (0.80   0.02   0.02) =   0.002%
          QG2   THR   46 - HB2   MET   96  10.72 +/- 0.93   0.047% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  11.23 +/- 0.93   0.038% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  12.59 +/- 0.71   0.015% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.904, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   7.83 +/- 0.96  81.192% * 36.4416% (0.92   0.02   0.02) =  83.454%  kept
          QG2   VAL   83 - HB2   MET   96  13.19 +/- 3.06   8.214% * 36.4416% (0.92   0.02   0.02) =   8.442%  kept
          QD1   ILE   89 - HB2   MET   96  12.42 +/- 2.37  10.594% * 27.1168% (0.69   0.02   0.02) =   8.103%  kept
    Distance limit 3.85 A violated in 20 structures by 3.67 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.676, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96  11.74 +/- 2.14  58.858% * 94.3530% (0.69 10.00   0.02   0.02) =  95.985%  kept
          QG2   VAL   83 - HB3   MET   96  12.78 +/- 2.93  41.142% *  5.6470% (0.41  1.00   0.02   0.02) =   4.015%  kept
    Distance limit 3.84 A violated in 20 structures by 6.52 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 = 45.8:
          HN    PHE   97 - HG2   MET   96   3.25 +/- 0.57  99.814% * 99.1286% (0.92   5.60  45.84) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  11.20 +/- 1.38   0.136% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  13.73 +/- 0.96   0.030% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  15.44 +/- 1.28   0.014% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.13 +/- 1.81   0.006% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  30.27 +/- 1.65   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.59 +/- 1.36   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.89 +/- 2.29   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.05, residual support = 45.8:
          HN    PHE   97 - HG3   MET   96   2.99 +/- 0.58  99.981% * 99.5691% (0.54   6.05  45.84) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.05 +/- 0.99   0.015% *  0.3289% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.44 +/- 0.89   0.004% *  0.1020% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.45, support = 2.09, residual support = 7.08:
          HG13  ILE  103 - HG2   MET   96   3.78 +/- 0.58  75.848% * 38.4650% (0.25   2.52   9.00) =  72.849%  kept
          QG2   THR   94 - HG2   MET   96   5.16 +/- 0.72  19.169% * 56.6458% (0.99   0.93   1.91) =  27.113%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.56 +/- 2.54   3.494% *  0.3122% (0.25   0.02   0.02) =   0.027%
          HB3   LYS+ 112 - HB2   PRO   52   9.40 +/- 1.66   0.711% *  0.3528% (0.29   0.02   0.02) =   0.006%
          QG2   THR   94 - HB2   PRO   52  10.55 +/- 1.67   0.300% *  0.3567% (0.29   0.02   0.02) =   0.003%
          HB3   LEU   71 - HG2   MET   96  13.19 +/- 1.46   0.066% *  0.9811% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HB2   PRO   52  10.01 +/- 1.55   0.355% *  0.0555% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  18.45 +/- 0.71   0.006% *  1.2010% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  14.54 +/- 2.46   0.040% *  0.1890% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.03 +/- 1.91   0.006% *  1.0628% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.56 +/- 1.84   0.001% *  0.2882% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.25 +/- 1.81   0.003% *  0.0897% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.815, support = 2.63, residual support = 8.98:
          QG2   ILE  103 - HG2   MET   96   4.30 +/- 0.67  38.014% * 68.3978% (1.00   2.93   9.00) =  64.465%  kept
          QD1   ILE  103 - HG2   MET   96   3.90 +/- 1.06  59.782% * 23.8198% (0.49   2.09   9.00) =  35.307%  kept
          QD2   LEU   40 - HG2   MET   96   7.45 +/- 0.81   1.658% *  5.4812% (0.95   0.25   0.02) =   0.225%
          QD1   LEU   67 - HG2   MET   96  11.46 +/- 1.39   0.099% *  0.4519% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96  11.80 +/- 1.47   0.182% *  0.1757% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.89 +/- 0.88   0.059% *  0.2840% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.50 +/- 0.73   0.021% *  0.4641% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.02 +/- 0.85   0.055% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  15.79 +/- 1.98   0.028% *  0.1363% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.51 +/- 2.14   0.035% *  0.0516% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.23 +/- 1.04   0.033% *  0.0425% (0.09   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.70 +/- 1.57   0.010% *  0.1373% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.86 +/- 1.26   0.009% *  0.1328% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.25 +/- 1.73   0.006% *  0.1301% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  18.46 +/- 1.79   0.006% *  0.0670% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.27 +/- 1.67   0.003% *  0.0834% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.223, support = 0.465, residual support = 0.544:
          HG    LEU   98 - HG3   MET   96   4.63 +/- 1.34  44.495% * 10.1986% (0.25   0.24   0.44) =  47.109%  kept
          QB    LEU   98 - HG3   MET   96   4.81 +/- 0.61  24.396% * 17.8531% (0.14   0.77   0.44) =  45.215%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.78 +/- 1.09  29.695% *  2.0873% (0.61   0.02   2.13) =   6.435%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.07 +/- 1.24   0.177% * 56.0266% (0.59   0.56   0.10) =   1.030%  kept
          HB    VAL   42 - HG3   MET   96   8.32 +/- 0.81   0.811% *  1.8761% (0.54   0.02   0.02) =   0.158%
          HB3   LEU   73 - HG3   MET   96  10.39 +/- 0.75   0.169% *  1.9789% (0.57   0.02   0.02) =   0.035%
          HB3   ASP-  44 - HG3   MET   96  10.52 +/- 0.76   0.169% *  0.4140% (0.12   0.02   0.02) =   0.007%
          HB3   PRO   93 - HG3   MET   96  12.85 +/- 0.50   0.046% *  1.1844% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HG3   MET   96  16.96 +/- 1.16   0.009% *  1.7473% (0.51   0.02   0.02) =   0.002%
          QB    ALA   84 - HG3   MET   96  17.30 +/- 1.90   0.011% *  1.1006% (0.32   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HG3   MET   96  18.79 +/- 0.88   0.005% *  2.0734% (0.60   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  16.32 +/- 0.95   0.011% *  0.6457% (0.19   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  19.96 +/- 1.07   0.003% *  1.8761% (0.54   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  24.59 +/- 1.43   0.001% *  0.9379% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 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 = 0.198, support = 2.26, residual support = 8.26:
          HG13  ILE  103 - HG3   MET   96   3.33 +/- 0.52  94.199% * 30.5582% (0.15  1.00   2.39   9.00) =  89.554%  kept
          QG2   THR   94 - HG3   MET   96   5.64 +/- 0.31   5.731% * 58.5726% (0.60  1.00   1.15   1.91) =  10.444%  kept
          HB3   LEU   71 - HG3   MET   96  12.85 +/- 1.10   0.045% *  0.8203% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  19.43 +/- 2.01   0.003% *  8.8866% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.85 +/- 0.76   0.004% *  1.0042% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  15.02 +/- 1.72   0.018% *  0.1581% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.488, support = 2.53, residual support = 9.0:
          QG2   ILE  103 - HG3   MET   96   4.07 +/- 0.66  35.499% * 72.7970% (0.61   2.85   9.00) =  62.102%  kept
          QD1   ILE  103 - HG3   MET   96   3.58 +/- 0.74  62.911% * 25.0559% (0.30   2.01   9.00) =  37.880%  kept
          QD2   LEU   40 - HG3   MET   96   7.07 +/- 0.60   1.366% *  0.4844% (0.57   0.02   0.02) =   0.016%
          QD1   LEU   67 - HG3   MET   96  11.31 +/- 1.57   0.079% *  0.4942% (0.59   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  12.06 +/- 1.35   0.068% *  0.1922% (0.23   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG3   MET   96  12.61 +/- 0.70   0.037% *  0.3106% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.62 +/- 0.63   0.010% *  0.5076% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.04 +/- 0.86   0.030% *  0.1581% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.5, residual support = 11.1:
      O   HN    LEU   98 - HA    PHE   97   2.19 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.50  11.09) = 100.000%  kept
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.00  99.987% * 99.8692% (0.90  10.0   4.73  62.62) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.55 +/- 0.54   0.011% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.22 +/- 0.55   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   2.44 +/- 0.13 100.000% * 99.9164% (0.45  10.0 10.00   2.44  62.62) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  25.02 +/- 4.18   0.000% *  0.0836% (0.38   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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.61, residual support = 57.0:
          HN    ASP- 105 - HB2   PHE   97   2.67 +/- 0.80 100.000% * 99.8958% (0.95   7.61  56.95) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  25.08 +/- 2.32   0.000% *  0.1042% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.13 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   2.84 +/- 0.60  99.973% * 99.8692% (0.90  10.0   4.84  62.62) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.29 +/- 0.80   0.022% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.91 +/- 0.89   0.005% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 3.38, residual support = 50.4:
        T HB3   ASP- 105 - HB2   PHE   97   4.18 +/- 0.69  67.607% * 67.1710% (0.99 10.00   3.74  56.95) =  86.103%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.27 +/- 1.00  22.661% * 32.3330% (0.80 10.00   1.19  10.10) =  13.892%  kept
          HB    ILE  103 - HB2   PHE   97   7.18 +/- 0.73   2.851% *  0.0678% (1.00  1.00   0.02   1.53) =   0.004%
          HG12  ILE  103 - HB2   PHE   97   6.50 +/- 0.67   6.436% *  0.0134% (0.20  1.00   0.02   1.53) =   0.002%
          HG    LEU  123 - HB2   PHE   97  12.22 +/- 1.19   0.173% *  0.0279% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  15.27 +/- 1.49   0.047% *  0.0676% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.43 +/- 0.91   0.041% *  0.0641% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.10 +/- 1.53   0.120% *  0.0169% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.69 +/- 0.97   0.043% *  0.0254% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.58 +/- 1.06   0.005% *  0.0676% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.58 +/- 1.64   0.011% *  0.0279% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  23.54 +/- 0.74   0.002% *  0.0608% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  24.52 +/- 2.72   0.002% *  0.0566% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 4 structures by 0.34 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.308, support = 4.48, residual support = 16.3:
        T HB2   LEU  104 - HB2   PHE   97   3.43 +/- 0.47  50.788% * 83.8900% (0.31 10.00   4.67  17.52) =  92.286%  kept
          QG2   ILE  103 - HB2   PHE   97   4.45 +/- 0.87  21.487% *  9.9604% (0.25  1.00   2.94   1.53) =   4.636%  kept
          QD2   LEU   40 - HB2   PHE   97   4.26 +/- 1.04  25.645% *  5.5335% (0.38  1.00   1.08   0.74) =   3.074%  kept
          QD1   LEU   67 - HB2   PHE   97   8.19 +/- 2.82   1.545% *  0.0927% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HB2   PHE   97   9.19 +/- 1.03   0.159% *  0.1649% (0.61  1.00   0.02   0.45) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.23 +/- 0.77   0.360% *  0.0538% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  14.85 +/- 1.14   0.011% *  0.2571% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.21 +/- 0.93   0.005% *  0.0476% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.315, support = 2.11, residual support = 9.45:
          HB2   LEU  104 - HB3   PHE   97   3.19 +/- 0.73  62.001% * 23.6258% (0.29  1.00   3.28  17.52) =  51.640%  kept
        T QD2   LEU   40 - HB3   PHE   97   4.00 +/- 0.61  18.273% * 65.6238% (0.36 10.00   0.75   0.74) =  42.275%  kept
          QG2   ILE  103 - HB3   PHE   97   4.48 +/- 0.95  17.772% *  9.6936% (0.24  1.00   1.67   1.53) =   6.073%  kept
          QD1   LEU   67 - HB3   PHE   97   8.09 +/- 2.52   1.333% *  0.1590% (0.32  1.00   0.02   0.02) =   0.007%
          QD1   ILE  119 - HB3   PHE   97   9.31 +/- 1.27   0.236% *  0.2828% (0.57  1.00   0.02   0.45) =   0.002%
          QG2   VAL  108 - HB3   PHE   97   8.60 +/- 0.74   0.369% *  0.0923% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  15.03 +/- 1.08   0.011% *  0.4411% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.34 +/- 0.93   0.005% *  0.0817% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.08 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   2.45 +/- 0.16 100.000% * 99.8821% (0.87  10.0 10.00   2.74  62.62) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  25.33 +/- 4.38   0.000% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.87 +/- 1.13   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 = 5.45, residual support = 57.0:
          HN    ASP- 105 - HB3   PHE   97   2.83 +/- 0.43  99.998% * 99.0726% (0.46   5.45  56.95) = 100.000%  kept
          HN    PHE   55 - HB3   PHE   97  19.33 +/- 0.92   0.001% *  0.2801% (0.36   0.02   0.02) =   0.000%
          HN    ALA   88 - HB3   PHE   97  25.42 +/- 2.40   0.000% *  0.6473% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.19, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.05 +/- 0.57  99.970% * 99.8692% (0.85  10.0   5.19  62.62) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.59 +/- 1.20   0.024% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.22 +/- 1.25   0.005% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.736, support = 2.15, residual support = 53.3:
          HB3   ASP- 105 - HB3   PHE   97   4.32 +/- 0.66  74.382% * 66.5886% (0.72  1.00   2.28  56.95) =  92.321%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.67 +/- 0.82  17.514% * 21.0499% (0.93  1.00   0.56  10.10) =   6.872%  kept
          HB    ILE  103 - HB3   PHE   97   7.11 +/- 0.99   7.694% *  5.5968% (0.65  1.00   0.21   1.53) =   0.803%  kept
          HB3   LYS+  38 - HB3   PHE   97  13.75 +/- 1.14   0.101% *  0.5551% (0.69  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HB3   PHE   97  15.10 +/- 1.58   0.086% *  0.4945% (0.61  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB3   PHE   97  14.96 +/- 1.09   0.059% *  0.6630% (0.82  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  15.23 +/- 0.74   0.050% *  0.6630% (0.82  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  17.92 +/- 1.11   0.018% *  1.7018% (0.21 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB3   PHE   97  14.46 +/- 0.80   0.066% *  0.4022% (0.50  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.16 +/- 0.81   0.020% *  0.2869% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  21.85 +/- 1.12   0.005% *  0.5551% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  23.87 +/- 0.87   0.003% *  0.7056% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  24.72 +/- 2.50   0.003% *  0.7377% (0.91  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.31, support = 4.11, residual support = 24.9:
          HG12  ILE  103 - HA    LEU   98   3.69 +/- 0.64  74.147% * 52.3961% (0.25   4.58  26.87) =  87.518%  kept
          QB    LYS+ 102 - HA    LEU   98   4.98 +/- 0.36  16.007% * 20.6867% (0.98   0.46   2.67) =   7.459%  kept
          HB    VAL   41 - HA    LEU   98   5.73 +/- 0.73   9.583% * 23.2420% (0.38   1.35  23.17) =   5.017%  kept
          HB2   LEU   71 - HA    LEU   98  10.31 +/- 1.07   0.214% *  0.9154% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    LEU   98  13.93 +/- 1.51   0.032% *  0.5194% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  16.88 +/- 0.75   0.009% *  0.9175% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.68 +/- 0.43   0.005% *  0.7663% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.14 +/- 0.68   0.003% *  0.5565% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 26.9:
          HA    ILE  103 - HA    LEU   98   2.28 +/- 0.41  99.436% * 94.1073% (0.73   2.96  26.87) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   5.56 +/- 0.65   0.519% *  0.2437% (0.28   0.02   6.08) =   0.001%
          HA    THR   39 - HA    LEU   98   9.91 +/- 0.57   0.035% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  11.93 +/- 0.35   0.008% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  21.92 +/- 1.13   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  25.77 +/- 3.89   0.000% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.82 +/- 0.89   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  27.20 +/- 3.18   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  24.75 +/- 1.58   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  27.42 +/- 1.62   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  29.72 +/- 1.91   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.71 +/- 0.93   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 4.15:
          HN    ASP- 105 - HA    LEU   98   4.89 +/- 0.61  99.990% * 99.7685% (0.95   3.42   4.15) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  25.78 +/- 2.58   0.010% *  0.2315% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 9 structures by 1.02 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 16.7:
      O   HN    LYS+  99 - HA    LEU   98   2.19 +/- 0.01  99.899% * 99.7964% (0.80  10.0   4.11  16.67) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.63 +/- 3.74   0.097% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.86 +/- 0.96   0.005% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.66 +/- 1.06   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 2.89, residual support = 6.08:
          HN    LEU  104 - HA    LEU   98   3.09 +/- 0.64  99.954% * 99.5480% (0.92   2.89   6.08) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.29 +/- 0.31   0.046% *  0.4520% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 2 structures by 0.16 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 83.4:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.21  83.39) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.457, support = 3.14, residual support = 24.0:
        T HB    VAL   41 - QB    LEU   98   3.26 +/- 0.83  40.510% * 72.5446% (0.42 10.00   2.96  23.17) =  73.901%  kept
          HG12  ILE  103 - QB    LEU   98   3.14 +/- 1.26  57.544% * 17.8076% (0.56  1.00   3.69  26.87) =  25.768%  kept
          HB    ILE  103 - QB    LEU   98   5.08 +/- 0.98   1.685% *  7.7419% (0.60  1.00   1.51  26.87) =   0.328%
        T QB    LYS+ 106 - QB    LEU   98   7.07 +/- 0.53   0.181% *  0.4600% (0.27 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - QB    LEU   98  10.24 +/- 0.76   0.020% *  0.7254% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.74 +/- 0.56   0.052% *  0.0904% (0.53  1.00   0.02   4.15) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.20 +/- 1.15   0.005% *  0.0460% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  15.46 +/- 1.27   0.002% *  0.1082% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  15.68 +/- 1.72   0.001% *  0.1337% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  19.96 +/- 1.20   0.000% *  0.1337% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  21.32 +/- 2.93   0.000% *  0.0508% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.49 +/- 0.94   0.000% *  0.0964% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  21.90 +/- 1.06   0.000% *  0.0613% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.76, residual support = 16.7:
          HN    LYS+  99 - QB    LEU   98   3.39 +/- 0.20  98.890% * 97.2914% (0.27   3.76  16.67) =  99.992%  kept
          HN    ASN   35 - QB    LEU   98   9.05 +/- 0.96   0.331% *  1.4015% (0.72   0.02   0.02) =   0.005%
          HE1   HIS  122 - QB    LEU   98   9.94 +/- 3.31   0.774% *  0.4184% (0.22   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    LEU   98  19.45 +/- 1.07   0.003% *  0.2589% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  24.06 +/- 1.68   0.001% *  0.6297% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.99, residual support = 23.2:
          HN    VAL   41 - QB    LEU   98   3.67 +/- 0.41 100.000% *100.0000% (0.85   2.99  23.17) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.17, residual support = 83.4:
      O   HN    LEU   98 - QB    LEU   98   2.87 +/- 0.27 100.000% *100.0000% (0.85  10.0   5.17  83.39) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 83.4:
      O   HA    LEU   98 - HG    LEU   98   3.33 +/- 0.34 100.000% *100.0000% (0.69  10.0   4.04  83.39) = 100.000%  kept
    Distance limit 3.95 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 = 4.1, residual support = 83.4:
          HN    LEU   98 - HG    LEU   98   2.98 +/- 0.86 100.000% *100.0000% (0.98   4.10  83.39) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 3.6, residual support = 26.9:
        T HA    ILE  103 - QD1   LEU   98   2.95 +/- 0.34  98.866% * 95.3462% (0.25 10.00   3.60  26.87) =  99.972%  kept
        T HA    LEU  104 - QD1   LEU   98   6.50 +/- 0.37   0.900% *  2.9222% (0.76 10.00   0.02   6.08) =   0.028%
          HA    ASP-  44 - QD1   LEU   98   9.04 +/- 1.62   0.221% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  19.26 +/- 3.14   0.003% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  16.63 +/- 1.82   0.004% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.73 +/- 0.98   0.001% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  20.50 +/- 2.73   0.002% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.59 +/- 1.57   0.001% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  25.54 +/- 1.75   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98   8.19 +/- 0.95  68.370% * 33.8723% (0.84   0.02   0.02) =  74.783%  kept
          HE21  GLN   30 - QD1   LEU   98  10.17 +/- 0.84  20.007% * 19.7390% (0.49   0.02   0.02) =  12.753%  kept
          QD    PHE   59 - QD1   LEU   98  11.43 +/- 1.33  11.261% * 33.8723% (0.84   0.02   0.02) =  12.318%  kept
          HH2   TRP   49 - QD1   LEU   98  19.94 +/- 1.82   0.362% * 12.5164% (0.31   0.02   0.02) =   0.146%
    Distance limit 3.51 A violated in 20 structures by 4.15 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 17.1:
        T QD1   LEU  104 - HB2   LYS+  99   2.42 +/- 0.38  99.964% * 98.4796% (0.69 10.00   2.96  17.08) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.62 +/- 0.95   0.020% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.35 +/- 0.82   0.012% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  21.07 +/- 1.81   0.000% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.72 +/- 0.95   0.003% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  22.00 +/- 3.40   0.000% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  22.15 +/- 4.66   0.000% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.58, residual support = 12.8:
        T QD2   LEU   40 - HB2   LYS+  99   3.23 +/- 0.79  95.651% * 96.7005% (0.95 10.00   2.58  12.77) =  99.933%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.83 +/- 0.32   2.069% *  2.9178% (1.00  1.00   0.57   0.02) =   0.065%
          QD1   LEU   67 - HB2   LYS+  99   9.22 +/- 2.45   0.895% *  0.0987% (0.97  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  99   7.62 +/- 0.90   1.248% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LYS+  99  11.16 +/- 0.91   0.087% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.80 +/- 1.28   0.043% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.12 +/- 1.25   0.003% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  19.04 +/- 0.98   0.004% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.76, residual support = 171.5:
      O   HN    LYS+  99 - HB2   LYS+  99   2.69 +/- 0.21  99.025% * 99.4797% (0.31  10.0   4.76 171.45) =  99.999%  kept
          HE1   HIS  122 - HB2   LYS+  99   9.20 +/- 3.66   0.958% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   LYS+  99  12.03 +/- 0.89   0.016% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.94 +/- 1.37   0.000% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.69 +/- 1.89   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 = 5.17, residual support = 171.5:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.01  99.409% * 99.7964% (0.80  10.0   5.17 171.45) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99   9.58 +/- 3.66   0.501% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.74 +/- 0.94   0.089% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.86 +/- 1.06   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.6:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.00 100.000% *100.0000% (0.84  10.0   6.83  39.57) = 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 = 0.862, support = 5.1, residual support = 180.3:
      O   QE    LYS+  99 - HG2   LYS+  99   2.64 +/- 0.53  54.203% * 79.1619% (0.99  10.0   5.21 171.45) =  82.412%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.75 +/- 0.58  44.469% * 20.5905% (0.26  10.0   4.58 221.56) =  17.586%  kept
          QE    LYS+ 102 - HG2   LYS+  99   8.05 +/- 1.31   0.805% *  0.0610% (0.76   1.0   0.02   1.77) =   0.001%
          QE    LYS+  38 - HG2   LYS+  99   7.74 +/- 1.07   0.294% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.26 +/- 1.10   0.145% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   8.89 +/- 0.85   0.064% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  11.52 +/- 1.51   0.015% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  16.22 +/- 1.30   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.41 +/- 1.37   0.003% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.78 +/- 0.76   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 = 7.06, residual support = 171.4:
      O T HA    LYS+  99 - HG2   LYS+  99   2.79 +/- 0.48  80.795% * 98.9579% (0.84  10.0 10.00   7.06 171.45) =  99.989%  kept
          HA    LEU   40 - HG2   LYS+  99   4.26 +/- 0.77   7.232% *  0.0671% (0.57   1.0  1.00   0.02  12.77) =   0.006%
          HA    ASN   35 - HG2   LYS+  38   4.54 +/- 1.10  11.517% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG2   LYS+  38   8.58 +/- 0.72   0.152% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG2   LYS+  99   9.11 +/- 1.21   0.112% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.37 +/- 0.41   0.168% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  13.93 +/- 1.93   0.014% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.06 +/- 1.32   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  20.00 +/- 2.94   0.002% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  17.35 +/- 2.19   0.004% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.51 +/- 0.60   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.70 +/- 1.51   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.43 +/- 0.89   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.33 +/- 0.68   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.96 +/- 2.47   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.13 +/- 1.48   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.27 +/- 1.60   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.30 +/- 1.56   0.000% *  0.0157% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.124, support = 4.82, residual support = 15.6:
          HA    SER   37 - HA    LYS+  38   5.24 +/- 0.06  29.844% * 43.3149% (0.05  1.00   5.54  18.05) =  86.696%  kept
          HA    LEU   40 - HA    GLU- 100   4.78 +/- 0.81  56.692% *  2.7107% (0.80  1.00   0.02   0.02) =  10.307%  kept
          HA    LEU   40 - HA    LYS+  38   6.26 +/- 0.16  10.193% *  3.7196% (0.05  1.00   0.45   0.02) =   2.543%  kept
          HA    SER   37 - HA    GLU- 100   8.17 +/- 1.11   2.358% *  2.5871% (0.76  1.00   0.02   0.02) =   0.409%
          HA    VAL   42 - HA    GLU- 100  10.21 +/- 0.71   0.533% *  0.7537% (0.22  1.00   0.02   0.02) =   0.027%
        T HA    PRO   58 - HA    GLU- 100  24.34 +/- 0.71   0.003% * 31.2502% (0.92 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - HA    GLU- 100  17.07 +/- 1.21   0.024% *  3.2023% (0.95  1.00   0.02   0.02) =   0.005%
          HA    GLN   17 - HA    GLU- 100  19.17 +/- 0.99   0.012% *  2.5871% (0.76  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HA    GLU- 100  20.95 +/- 1.59   0.007% *  3.2023% (0.95  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HA    GLU- 100  17.93 +/- 2.12   0.029% *  0.6699% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.27 +/- 0.63   0.004% *  2.8276% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  16.14 +/- 1.31   0.046% *  0.1935% (0.06  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.18 +/- 0.32   0.189% *  0.0455% (0.01  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  25.43 +/- 0.80   0.002% *  1.8883% (0.06 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HA    LYS+  38  19.29 +/- 1.74   0.014% *  0.1935% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  19.12 +/- 0.90   0.014% *  0.1563% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  24.46 +/- 0.66   0.003% *  0.4581% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  18.77 +/- 2.62   0.029% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.98 +/- 0.56   0.003% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.14 +/- 0.82   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 5 structures by 0.69 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   3.34 +/- 0.34  96.506% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.33 +/- 0.99   3.494% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.6:
      O   HN    GLU- 100 - HA    GLU- 100   2.19 +/- 0.05  98.738% * 99.9940% (0.84  10.0   6.39  75.62) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.78 +/- 0.74   1.262% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.796, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  12.06 +/- 1.04  12.629% * 28.3278% (1.00 10.00   0.02   0.02) =  54.342%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.71 +/- 1.27  16.344% *  8.7627% (0.31 10.00   0.02   0.02) =  21.753%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.12 +/- 1.23   2.264% * 27.8286% (0.98 10.00   0.02   0.02) =   9.570%  kept
          HA    VAL   70 - HB2   GLU- 100  10.79 +/- 0.72  25.217% *  2.3714% (0.84  1.00   0.02   0.02) =   9.083%  kept
          HB2   SER   37 - HB2   GLU- 100   9.87 +/- 0.75  41.953% *  0.5618% (0.20  1.00   0.02   0.02) =   3.580%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.33 +/- 0.82   0.329% * 23.7140% (0.84 10.00   0.02   0.02) =   1.183%  kept
          HA    VAL   18 - HB2   GLU- 100  18.30 +/- 0.71   1.058% *  2.7399% (0.97  1.00   0.02   0.02) =   0.440%
          HB2   SER   82 - HB2   GLU- 100  31.26 +/- 4.90   0.067% *  2.6208% (0.92  1.00   0.02   0.02) =   0.027%
          HA    SER   48 - HB2   GLU- 100  30.64 +/- 0.68   0.048% *  1.6074% (0.57  1.00   0.02   0.02) =   0.012%
          HA    ALA   88 - HB2   GLU- 100  32.40 +/- 2.47   0.041% *  0.9684% (0.34  1.00   0.02   0.02) =   0.006%
          HD2   PRO   52 - HB2   GLU- 100  30.68 +/- 1.37   0.051% *  0.4972% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.35 A violated in 20 structures by 5.17 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.446, support = 5.26, residual support = 39.4:
          HG2   LYS+  99 - HG2   GLU- 100   4.11 +/- 0.84  51.345% * 97.4995% (0.45   5.29  39.57) =  99.550%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.38 +/- 1.84  48.608% *  0.4659% (0.57   0.02   0.02) =   0.450%
          HB2   LEU   31 - HG2   GLU- 100  12.02 +/- 1.48   0.043% *  0.1441% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  22.20 +/- 1.08   0.001% *  0.8066% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  19.32 +/- 1.26   0.002% *  0.1628% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  28.06 +/- 2.20   0.000% *  0.7380% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.29 +/- 2.20   0.000% *  0.1832% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 9 structures by 0.84 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.08, residual support = 39.5:
          HG2   LYS+  99 - HG3   GLU- 100   2.90 +/- 1.12  78.591% * 96.7867% (0.45   4.08  39.57) =  99.832%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.46 +/- 1.81  21.391% *  0.5987% (0.57   0.02   0.02) =   0.168%
          HB2   LEU   31 - HG3   GLU- 100  12.20 +/- 1.49   0.017% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  21.63 +/- 0.87   0.000% *  1.0365% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  19.20 +/- 1.25   0.001% *  0.2093% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  27.49 +/- 2.49   0.000% *  0.9483% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.18 +/- 1.96   0.000% *  0.2354% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 4 structures by 0.34 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.6:
      O   HA    GLU- 100 - HG3   GLU- 100   2.90 +/- 0.41  75.983% * 99.7364% (1.00  10.0   4.46  75.62) =  99.994%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.09 +/- 1.42  24.017% *  0.0198% (0.20   1.0   0.02   0.02) =   0.006%
          HD2   PRO   58 - HG3   GLU- 100  26.39 +/- 0.97   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   GLU- 100  29.14 +/- 3.43   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.46 +/- 1.04   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 75.6:
          HN    GLU- 100 - HG3   GLU- 100   2.90 +/- 0.66 100.000% *100.0000% (0.97   4.30  75.62) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.47, residual support = 75.6:
          HN    GLU- 100 - HG2   GLU- 100   3.60 +/- 0.59 100.000% *100.0000% (0.84   6.47  75.62) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 159.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.58 +/- 0.18  99.490% * 99.6342% (1.00  10.0   4.64 159.19) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.27 +/- 1.16   0.322% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.12 +/- 0.68   0.120% *  0.0272% (0.27   1.0   0.02   0.25) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.22 +/- 0.76   0.031% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41  10.32 +/- 0.81   0.028% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.57 +/- 1.05   0.009% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  20.30 +/- 3.19   0.001% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  23.63 +/- 2.63   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 22.2:
          HN    ILE  103 - QB    LYS+ 102   3.29 +/- 0.30  99.718% * 98.9454% (1.00   5.45  22.16) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   9.29 +/- 0.85   0.269% *  0.1631% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.32 +/- 0.50   0.004% *  0.1910% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.42 +/- 0.75   0.005% *  0.0858% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  21.92 +/- 1.98   0.002% *  0.1543% (0.43   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  25.02 +/- 1.38   0.001% *  0.3434% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  22.84 +/- 3.85   0.002% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  27.41 +/- 4.04   0.000% *  0.0808% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.41, residual support = 159.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.69 +/- 0.48  98.054% * 99.2112% (0.73   4.41 159.19) =  99.995%  kept
          HN    ASP- 105 - HG2   LYS+ 102   8.99 +/- 1.56   1.799% *  0.2323% (0.38   0.02   0.02) =   0.004%
          HN    GLU-  36 - HG2   LYS+ 102  13.93 +/- 1.90   0.041% *  0.3256% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  11.80 +/- 1.14   0.104% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  26.96 +/- 3.13   0.001% *  0.1225% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.501, support = 0.0198, residual support = 0.0198:
        T QB    SER  117 - HA    ILE  103  12.99 +/- 1.08  20.108% *  7.5887% (0.34 10.00   0.02   0.02) =  52.786%  kept
          HA    LYS+ 121 - HA    ILE  103  12.46 +/- 1.04  25.408% *  1.5282% (0.69  1.00   0.02   0.02) =  13.432%  kept
          HB    THR   94 - HA    ILE  103  13.57 +/- 0.45  14.824% *  1.7002% (0.76  1.00   0.02   0.02) =   8.719%  kept
          HA    ALA  120 - HA    ILE  103  15.70 +/- 0.89   6.108% *  2.2050% (0.99  1.00   0.02   0.02) =   4.659%  kept
        T QB    SER   85 - HA    ILE  103  24.88 +/- 3.67   0.631% * 19.9520% (0.90 10.00   0.02   0.02) =   4.356%  kept
        T QB    SER   48 - HA    ILE  103  23.34 +/- 0.62   0.566% * 19.2979% (0.87 10.00   0.02   0.02) =   3.779%  kept
          HA2   GLY   16 - HA    THR   39  14.79 +/- 1.13   9.320% *  0.6592% (0.30  1.00   0.02   0.02) =   2.125%  kept
          HA    LYS+  65 - HA    THR   39  15.41 +/- 1.15   7.572% *  0.6139% (0.28  1.00   0.02   0.02) =   1.608%  kept
        T QB    SER  117 - HA    THR   39  19.41 +/- 1.13   1.674% *  2.5072% (0.11 10.00   0.02   0.02) =   1.452%  kept
        T HA2   GLY   51 - HA    ILE  103  26.89 +/- 0.68   0.240% * 13.4936% (0.61 10.00   0.02   0.02) =   1.119%  kept
          HA    LYS+  65 - HA    ILE  103  19.65 +/- 1.02   1.705% *  1.8582% (0.84  1.00   0.02   0.02) =   1.096%  kept
        T HD2   PRO   52 - HA    ILE  103  23.88 +/- 1.10   0.499% *  5.5474% (0.25 10.00   0.02   0.02) =   0.958%  kept
          HA    LYS+ 121 - HA    THR   39  16.41 +/- 1.92   5.285% *  0.5049% (0.23  1.00   0.02   0.02) =   0.923%  kept
          HA    ALA  120 - HA    THR   39  18.04 +/- 1.98   3.131% *  0.7285% (0.33  1.00   0.02   0.02) =   0.789%  kept
          HA2   GLY   16 - HA    ILE  103  21.31 +/- 1.05   1.014% *  1.9952% (0.90  1.00   0.02   0.02) =   0.700%  kept
        T QB    SER   48 - HA    THR   39  26.13 +/- 1.32   0.298% *  6.3756% (0.29 10.00   0.02   0.02) =   0.657%  kept
        T QB    SER   85 - HA    THR   39  29.60 +/- 3.06   0.157% *  6.5917% (0.30 10.00   0.02   0.02) =   0.358%
          HB    THR   94 - HA    THR   39  20.70 +/- 0.76   1.208% *  0.5617% (0.25  1.00   0.02   0.02) =   0.235%
        T HA2   GLY   51 - HA    THR   39  31.23 +/- 0.74   0.098% *  4.4580% (0.20 10.00   0.02   0.02) =   0.151%
        T HD2   PRO   52 - HA    THR   39  29.06 +/- 1.23   0.155% *  1.8327% (0.08 10.00   0.02   0.02) =   0.098%
    Distance limit 3.09 A violated in 20 structures by 6.72 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.61, residual support = 37.9:
      O   HN    LEU  104 - HA    ILE  103   2.20 +/- 0.02  99.982% * 99.8797% (0.92  10.0   6.61  37.93) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.99 +/- 0.49   0.012% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  11.77 +/- 0.58   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.17 +/- 0.35   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.333, support = 3.76, residual support = 39.5:
      O   HN    THR   39 - HA    THR   39   2.80 +/- 0.14  95.446% * 72.9480% (0.33  10.0   3.76  39.77) =  98.416%  kept
          HN    LYS+ 102 - HA    ILE  103   4.74 +/- 0.20   4.311% * 25.9917% (0.65   1.0   3.61  22.16) =   1.584%  kept
          HN    GLU-  36 - HA    THR   39   8.39 +/- 0.57   0.134% *  0.0615% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.21 +/- 0.59   0.085% *  0.0476% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.54 +/- 0.53   0.013% *  0.2208% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.45 +/- 0.85   0.004% *  0.1861% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.73 +/- 1.07   0.002% *  0.1084% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  22.15 +/- 2.96   0.001% *  0.2223% (1.00   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.42 +/- 1.09   0.002% *  0.0358% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.53 +/- 0.50   0.001% *  0.0344% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  22.08 +/- 1.35   0.000% *  0.0441% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.18 +/- 0.55   0.001% *  0.0114% (0.05   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  28.16 +/- 3.48   0.000% *  0.0734% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  28.34 +/- 1.71   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 3.6, residual support = 26.9:
        T QD1   LEU   98 - HA    ILE  103   2.95 +/- 0.34  99.831% * 99.6453% (0.41 10.00   3.60  26.87) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  10.57 +/- 0.59   0.057% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39   9.89 +/- 0.92   0.103% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.52 +/- 0.58   0.008% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.382, support = 2.67, residual support = 4.26:
          HN    ASP- 105 - QG2   ILE  103   2.78 +/- 0.30  99.211% * 29.2527% (0.38   2.65   3.92) =  98.165%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.44 +/- 0.13   0.772% * 70.2191% (0.73   3.29  22.16) =   1.835%  kept
          HN    GLU-  36 - QG2   ILE  103  15.43 +/- 0.74   0.004% *  0.3090% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.07 +/- 0.51   0.011% *  0.1029% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   ILE  103  17.76 +/- 2.83   0.002% *  0.1162% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.67, residual support = 37.9:
          HN    LEU  104 - QG2   ILE  103   2.78 +/- 0.27  99.992% * 99.9415% (0.90   6.67  37.93) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.53 +/- 0.49   0.008% *  0.0585% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 138.4:
      O   HN    ILE  103 - HB    ILE  103   2.14 +/- 0.06  99.999% * 99.8308% (1.00  10.0   6.76 138.43) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.63 +/- 0.71   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  23.28 +/- 1.65   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  27.00 +/- 4.80   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.4:
      O T HA    ILE  103 - HG12  ILE  103   2.51 +/- 0.36  99.618% * 97.9216% (0.20  10.0 10.00   5.98 138.43) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.57 +/- 0.22   0.373% *  0.3001% (0.61   1.0  1.00   0.02  37.93) =   0.001%
          HA    ASP-  44 - HG12  ILE  103  12.30 +/- 0.84   0.008% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  23.98 +/- 4.08   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  21.21 +/- 1.24   0.000% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  25.66 +/- 1.30   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  25.51 +/- 3.27   0.000% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  30.31 +/- 1.90   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  32.64 +/- 2.17   0.000% *  0.1761% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.94, residual support = 138.4:
          HN    ILE  103 - HG12  ILE  103   3.14 +/- 0.24  99.989% * 99.5138% (0.80   6.94 138.43) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  15.20 +/- 0.66   0.009% *  0.1509% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  21.95 +/- 1.71   0.001% *  0.2714% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  25.09 +/- 4.68   0.001% *  0.0639% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.4:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.992% * 99.2748% (0.58  10.0 10.00   4.30 138.43) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.92 +/- 0.51   0.006% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.57 +/- 1.21   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.68 +/- 0.66   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  22.02 +/- 0.69   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.59 +/- 1.84   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 4.76, residual support = 138.4:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.02  88.346% * 32.5765% (0.39  10.0 10.00   4.62 138.43) =  78.892%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.07 +/- 0.22  11.531% * 66.7776% (0.80  10.0 10.00   5.31 138.43) =  21.108%  kept
          QD2   LEU   40 - HG12  ILE  103   6.67 +/- 0.58   0.115% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.32 +/- 0.82   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  12.35 +/- 2.09   0.004% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.67 +/- 0.98   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  15.56 +/- 1.42   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  19.04 +/- 1.14   0.000% *  0.0663% (0.79   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 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.08, residual support = 26.9:
          QD1   LEU   98 - HG12  ILE  103   2.30 +/- 0.55  99.997% * 99.7170% (0.72   5.08  26.87) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.49 +/- 0.88   0.003% *  0.2830% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.756, support = 4.05, residual support = 138.4:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.02  60.589% * 82.5087% (0.84  10.0   3.97 138.43) =  87.999%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.32 +/- 0.18  39.409% * 17.2996% (0.18  10.0   4.64 138.43) =  12.001%  kept
          QG2   ILE  119 - HG13  ILE  103  14.01 +/- 0.81   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.58 +/- 0.69   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.48 +/- 0.71   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 2.16, residual support = 26.9:
          QD1   LEU   98 - HG13  ILE  103   2.64 +/- 0.67  99.992% * 99.3375% (0.90   2.16  26.87) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.60 +/- 0.64   0.008% *  0.6625% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  10.51 +/- 0.96  56.377% * 17.5479% (0.45   0.02   0.02) =  49.610%  kept
          HE21  GLN   30 - QD1   ILE  103  12.82 +/- 0.93  17.353% * 30.1124% (0.77   0.02   0.02) =  26.204%  kept
          QD    PHE   59 - QD1   ILE  103  12.24 +/- 0.93  25.033% * 17.5479% (0.45   0.02   0.02) =  22.028%  kept
          HH2   TRP   49 - QD1   ILE  103  20.14 +/- 1.29   1.237% * 34.7918% (0.89   0.02   0.02) =   2.158%  kept
    Distance limit 3.96 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.587, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - QD1   ILE  103  15.22 +/- 1.37  29.891% * 20.5212% (0.63   0.02   0.02) =  37.730%  kept
          HN    GLN   17 - QD1   ILE  103  18.18 +/- 1.13   9.943% * 25.9142% (0.80   0.02   0.02) =  15.848%  kept
          HN    TRP   87 - QD1   ILE  103  18.26 +/- 2.44  11.612% * 21.6935% (0.67   0.02   0.02) =  15.494%  kept
          HE3   TRP   87 - QD1   ILE  103  17.94 +/- 3.17  14.730% * 16.9137% (0.52   0.02   0.02) =  15.324%  kept
          HN    ALA   61 - QD1   ILE  103  16.59 +/- 1.01  17.345% *  8.3063% (0.26   0.02   0.02) =   8.862%  kept
          HN    ALA   91 - QD1   ILE  103  16.94 +/- 1.31  16.480% *  6.6512% (0.21   0.02   0.02) =   6.742%  kept
    Distance limit 3.62 A violated in 20 structures by 8.67 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.7, residual support = 138.4:
          HN    ILE  103 - QD1   ILE  103   3.21 +/- 0.81  99.884% * 99.4087% (0.92   5.70 138.43) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  12.10 +/- 1.20   0.100% *  0.1836% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  17.68 +/- 1.35   0.008% *  0.3301% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  20.48 +/- 4.03   0.008% *  0.0777% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.4:
      O   HA    ILE  103 - HG13  ILE  103   2.84 +/- 0.50  99.137% * 99.0827% (0.73  10.0   5.40 138.43) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.53 +/- 0.33   0.812% *  0.0379% (0.28   1.0   0.02  37.93) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  11.42 +/- 0.54   0.037% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.92 +/- 0.81   0.010% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  20.26 +/- 1.30   0.001% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  23.22 +/- 4.26   0.001% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  24.66 +/- 3.29   0.000% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  25.80 +/- 0.90   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  23.92 +/- 1.96   0.000% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  30.62 +/- 1.50   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  33.05 +/- 1.81   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  25.28 +/- 1.10   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 138.4:
          HN    ILE  103 - HG13  ILE  103   4.06 +/- 0.10  99.920% * 99.4607% (1.00   6.25 138.43) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  13.85 +/- 0.68   0.069% *  0.1674% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  20.90 +/- 1.62   0.006% *  0.3011% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  24.43 +/- 4.66   0.005% *  0.0709% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.33, residual support = 138.4:
          HN    ILE  103 - QG2   ILE  103   3.55 +/- 0.06  99.893% * 99.2354% (0.69   6.33 138.43) = 100.000%  kept
          HN    GLY  109 - QG2   ILE  103  11.33 +/- 0.51   0.100% *  0.4407% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  18.40 +/- 1.31   0.006% *  0.2223% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.56 +/- 0.64   0.002% *  0.1017% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.2:
          HA    LYS+ 102 - HB    ILE  103   4.31 +/- 0.07  99.964% * 98.7658% (0.38   4.78  22.16) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.18 +/- 0.61   0.007% *  1.0163% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.77 +/- 0.43   0.029% *  0.2179% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.67, residual support = 17.5:
        T HB2   PHE   97 - HB2   LEU  104   3.43 +/- 0.47  92.960% * 99.7054% (0.82 10.00   4.67  17.52) =  99.997%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.17 +/- 0.93   1.798% *  0.0945% (0.78  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HB2   LEU  104   5.92 +/- 0.81   5.213% *  0.0263% (0.22  1.00   0.02  17.08) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  14.63 +/- 0.92   0.020% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.43 +/- 1.10   0.010% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.5, residual support = 39.5:
          HN    ASP- 105 - HB2   LEU  104   2.69 +/- 0.15 100.000% * 99.8781% (0.82   6.50  39.54) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  27.98 +/- 2.26   0.000% *  0.1219% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 220.2:
      O   HN    LEU  104 - HB2   LEU  104   2.47 +/- 0.07  99.996% * 99.7579% (0.36  10.0   7.38 220.19) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.63 +/- 0.57   0.004% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.85, residual support = 220.2:
      O   HN    LEU  104 - HB3   LEU  104   3.62 +/- 0.03  99.980% * 99.9343% (0.71  10.0   6.85 220.19) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.09 +/- 0.66   0.020% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.41, residual support = 220.2:
          HN    LEU  104 - HG    LEU  104   2.98 +/- 0.32  99.988% * 99.8231% (0.92   7.41 220.19) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.72 +/- 1.02   0.012% *  0.1769% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 17.1:
          HN    LYS+  99 - HG    LEU  104   3.17 +/- 0.78  88.382% * 96.3289% (0.98   1.50  17.08) =  99.822%  kept
          HE1   HIS  122 - HG    LEU  104   8.15 +/- 3.95  11.610% *  1.3074% (1.00   0.02   0.02) =   0.178%
          HN    GLN   30 - HG    LEU  104  17.39 +/- 1.30   0.006% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.34 +/- 1.33   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  28.60 +/- 3.42   0.000% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.391, support = 6.79, residual support = 215.7:
          HN    LEU  104 - QD1   LEU  104   3.98 +/- 0.50  89.268% * 77.5125% (0.40   6.85 220.19) =  97.486%  kept
          HN    PHE   72 - QD1   LEU   73   6.14 +/- 0.40   8.189% * 21.7538% (0.18   4.30  40.89) =   2.510%  kept
          HN    PHE   72 - QD1   LEU   63   8.35 +/- 0.72   1.349% *  0.1011% (0.18   0.02  18.60) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.72 +/- 0.66   0.161% *  0.5492% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.04 +/- 0.43   0.779% *  0.0417% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.93 +/- 0.68   0.254% *  0.0417% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 17.1:
        T HB2   LYS+  99 - QD1   LEU  104   2.42 +/- 0.38  95.770% * 97.1108% (0.40 10.00   2.96  17.08) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   4.50 +/- 0.63   4.087% *  0.0229% (0.09  1.00   0.02   8.34) =   0.001%
        T HB    VAL   43 - QD1   LEU  104  11.33 +/- 0.61   0.012% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.62 +/- 0.95   0.019% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.21 +/- 0.71   0.092% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.35 +/- 0.82   0.011% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  22.80 +/- 1.84   0.000% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  13.97 +/- 1.95   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  15.75 +/- 1.48   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  16.86 +/- 1.31   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  25.01 +/- 1.55   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  19.03 +/- 0.85   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 17.1:
          HB2   LYS+  99 - QD2   LEU  104   2.53 +/- 0.39  95.764% * 87.1245% (0.90  1.00   2.00  17.08) =  99.994%  kept
        T HB    VAL   43 - QD2   LEU  104  11.08 +/- 0.89   0.015% *  9.3754% (0.97 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG2   VAL   18   5.13 +/- 0.66   2.693% *  0.0372% (0.04  1.00   0.02  50.07) =   0.001%
        T HB    VAL   43 - QG1   VAL   41   7.55 +/- 0.68   0.196% *  0.5036% (0.05 10.00   0.02   1.41) =   0.001%
        T HB    VAL   43 - QG2   VAL   18   9.56 +/- 0.78   0.050% *  1.4406% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   5.77 +/- 0.63   1.270% *  0.0468% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  15.17 +/- 1.02   0.003% *  0.1339% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.98 +/- 0.90   0.002% *  0.1378% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.00   0.001% *  0.2422% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  24.80 +/- 2.05   0.000% *  0.8968% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.07 +/- 0.82   0.004% *  0.0130% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  21.02 +/- 1.97   0.000% *  0.0482% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.44, residual support = 42.8:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.834% * 98.4679% (0.72  10.0 10.00   3.44  42.77) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.18 +/- 0.28   0.157% *  0.1263% (0.93   1.0  1.00   0.02  22.95) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.51 +/- 0.30   0.008% *  0.0885% (0.65   1.0  1.00   0.02   3.92) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.56 +/- 0.59   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.77 +/- 0.98   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.25 +/- 1.81   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.46 +/- 1.32   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.12 +/- 0.94   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.60 +/- 0.94   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.14 +/- 0.97   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.31 +/- 1.18   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  23.94 +/- 0.62   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  25.93 +/- 2.42   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.5, residual support = 5.6:
        T QG2   THR  118 - HB2   ASP- 105   2.22 +/- 0.51 100.000% *100.0000% (0.54 10.00   1.50   5.60) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.5, residual support = 5.6:
        T QG2   THR  118 - HB3   ASP- 105   2.68 +/- 0.40 100.000% *100.0000% (0.57 10.00   1.50   5.60) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 4.4, residual support = 45.2:
          HB2   PHE   97 - HB2   ASP- 105   4.36 +/- 1.11  61.022% * 54.1100% (0.89   4.59  56.95) =  65.299%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.07 +/- 1.34  38.635% * 45.4165% (0.85   4.06  22.95) =  34.701%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.89 +/- 0.94   0.270% *  0.0622% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  12.81 +/- 0.88   0.064% *  0.1811% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  17.75 +/- 1.00   0.008% *  0.2302% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.781, support = 3.74, residual support = 50.5:
        T HB2   PHE   97 - HB3   ASP- 105   4.18 +/- 0.69  66.126% * 67.7091% (0.87 10.00   3.74  56.95) =  80.984%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.40 +/- 1.33  32.759% * 32.0903% (0.41 10.00   3.76  22.95) =  19.015%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.20 +/- 0.98   0.715% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  10.67 +/- 0.91   0.301% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.29 +/- 1.01   0.068% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  17.02 +/- 1.69   0.021% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.84 +/- 0.93   0.010% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 42.8:
      O T HA    ASP- 105 - HB3   ASP- 105   2.86 +/- 0.19  99.999% * 99.8608% (0.87  10.0 10.00   3.24  42.77) = 100.000%  kept
          HB    THR   23 - HB3   ASP- 105  23.35 +/- 1.61   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  26.67 +/- 3.22   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  21.17 +/- 1.45   0.001% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.67, residual support = 42.8:
      O   HN    ASP- 105 - HB3   ASP- 105   3.21 +/- 0.37 100.000% * 99.9603% (0.95  10.0   4.67  42.77) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  26.74 +/- 2.21   0.000% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 3.87, residual support = 22.9:
          HN    LYS+ 106 - HB3   ASP- 105   3.51 +/- 0.66  99.781% * 99.5473% (0.18   3.87  22.95) =  99.999%  kept
          HN    VAL   41 - HB3   ASP- 105  10.64 +/- 0.72   0.219% *  0.4527% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.39, residual support = 57.0:
          QD    PHE   97 - HB2   ASP- 105   3.65 +/- 0.74  99.996% * 99.3080% (0.87   3.39  56.95) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  26.12 +/- 4.14   0.003% *  0.5507% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  24.60 +/- 1.22   0.002% *  0.1413% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.74, residual support = 42.8:
      O   HN    ASP- 105 - HB2   ASP- 105   3.56 +/- 0.36  99.999% * 99.9603% (0.89  10.0   4.74  42.77) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  25.98 +/- 1.99   0.001% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 22.9:
          HN    LYS+ 106 - HB2   ASP- 105   2.79 +/- 0.40  99.942% * 99.5411% (0.17   3.82  22.95) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.05 +/- 0.81   0.058% *  0.4589% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   2.90 +/- 0.63  99.923% * 99.9189% (0.87 10.00   1.07   2.13) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.43 +/- 0.55   0.077% *  0.0811% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.13 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.86, residual support = 10.1:
          QD    PHE   97 - HA    LYS+ 106   3.37 +/- 0.73  99.996% * 99.5679% (0.45   3.86  10.10) = 100.000%  kept
          HZ3   TRP   87 - HA    LYS+ 106  22.68 +/- 3.90   0.004% *  0.4321% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.93, residual support = 10.1:
          HN    PHE   97 - HA    LYS+ 106   3.37 +/- 0.64  99.510% * 99.1142% (0.90   2.93  10.10) =  99.997%  kept
          HN    LEU  115 - HA    LYS+ 106   9.26 +/- 0.30   0.425% *  0.6762% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LYS+ 106  12.72 +/- 0.48   0.065% *  0.2096% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.15 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.02 100.000% *100.0000% (0.61  10.0   5.18 135.77) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.22 +/- 0.06 100.000% * 99.8992% (0.99  10.0   4.58  26.77) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.35 +/- 0.91   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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   3.25 +/- 0.17  99.878% * 99.9120% (0.18  10.0   5.39 135.77) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.13 +/- 0.57   0.122% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.13, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.21 +/- 0.20  99.996% * 99.6081% (0.99   5.13  26.77) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.42 +/- 0.98   0.004% *  0.3919% (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   2.42 +/- 0.06  99.673% * 94.0497% (0.61  10.0 10.00   5.95 135.77) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.07 +/- 0.53   0.182% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.66 +/- 1.29   0.011% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.07 +/- 1.02   0.049% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.30 +/- 0.92   0.038% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  11.74 +/- 1.04   0.009% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.89 +/- 1.06   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.58 +/- 0.94   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.62 +/- 0.73   0.029% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.51 +/- 0.40   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.97 +/- 0.65   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  18.07 +/- 4.30   0.001% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.89 +/- 1.26   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 = 5.47:
          QG2   VAL  108 - QB    LYS+ 106   2.94 +/- 0.19  99.388% * 98.4933% (1.00   2.73   5.47) =  99.996%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.24 +/- 0.24   0.465% *  0.7081% (0.98   0.02   0.02) =   0.003%
          QD1   ILE  119 - QB    LYS+ 106   9.29 +/- 0.86   0.135% *  0.5521% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.30 +/- 0.81   0.013% *  0.2464% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 4.53, residual support = 26.2:
          QG2   VAL  107 - QB    LYS+ 106   5.49 +/- 0.16  10.611% * 98.7127% (0.76   4.63  26.77) =  97.768%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.01 +/- 0.60  24.931% *  0.5564% (1.00   0.02   0.02) =   1.295%  kept
          QG2   THR   94 - QB    LYS+ 106   4.14 +/- 0.56  64.041% *  0.1550% (0.28   0.02   0.02) =   0.927%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.23 +/- 1.06   0.353% *  0.2934% (0.53   0.02   0.02) =   0.010%
          HB3   LYS+ 112 - QB    LYS+ 106  13.69 +/- 0.35   0.043% *  0.1721% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.50 +/- 0.58   0.021% *  0.1104% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.98, residual support = 110.5:
          HN    LYS+  81 - QG    LYS+  81   2.57 +/- 0.47  99.886% * 84.7597% (0.13   5.98 110.48) =  99.999%  kept
          HE3   TRP   27 - HG2   LYS+  33  12.80 +/- 1.18   0.021% *  2.0883% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106  10.32 +/- 0.82   0.041% *  0.7315% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81  12.81 +/- 2.32   0.021% *  0.5367% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  15.48 +/- 3.72   0.008% *  0.9998% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  14.15 +/- 0.71   0.006% *  1.1209% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.49 +/- 1.43   0.005% *  1.2665% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.51 +/- 1.01   0.002% *  1.2222% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  15.94 +/- 1.49   0.004% *  0.5775% (0.27   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  19.24 +/- 2.14   0.001% *  1.2062% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.67 +/- 1.34   0.001% *  0.9649% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  17.63 +/- 1.97   0.001% *  0.4216% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  19.93 +/- 1.51   0.001% *  0.6798% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.21 +/- 1.56   0.001% *  0.2557% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  25.54 +/- 3.81   0.000% *  0.5923% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  28.19 +/- 1.38   0.000% *  2.0153% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  24.55 +/- 3.93   0.000% *  0.3592% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  25.79 +/- 0.90   0.000% *  0.2019% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 0.0199, residual support = 0.0199:
          HN    GLU-  79 - QG    LYS+  81   5.91 +/- 0.96  92.459% * 10.3925% (0.27   0.02   0.02) =  91.922%  kept
          HN    VAL   70 - HG2   LYS+  33  12.72 +/- 2.04   3.405% * 18.6620% (0.49   0.02   0.02) =   6.079%  kept
          HN    THR   94 - HG2   LYS+ 106  10.89 +/- 0.84   3.388% *  4.6016% (0.12   0.02   0.02) =   1.491%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.41 +/- 0.92   0.154% * 11.3181% (0.30   0.02   0.02) =   0.167%
          HN    THR   94 - QG    LYS+  81  14.89 +/- 1.21   0.442% *  3.6327% (0.09   0.02   0.02) =   0.154%
          HN    GLU-  79 - HG2   LYS+  33  22.93 +/- 1.76   0.035% * 21.7063% (0.57   0.02   0.02) =   0.073%
          HN    GLU-  79 - HG2   LYS+ 106  22.08 +/- 2.12   0.052% * 13.1644% (0.34   0.02   0.02) =   0.065%
          HN    THR   94 - HG2   LYS+  33  22.15 +/- 1.34   0.049% *  7.5874% (0.20   0.02   0.02) =   0.035%
          HN    VAL   70 - QG    LYS+  81  26.17 +/- 1.21   0.015% *  8.9350% (0.23   0.02   0.02) =   0.013%
    Distance limit 3.90 A violated in 17 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    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   3.29 +/- 0.26  99.960% * 99.8764% (0.18  10.0   5.66 135.77) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.19 +/- 1.40   0.034% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.02 +/- 1.02   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.34 +/- 0.89   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.6:
        T HB2   PHE   95 - HB    VAL  107   2.32 +/- 0.37 100.000% *100.0000% (0.69 10.00   4.31  45.63) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 58.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.805% * 99.7352% (0.72  10.0 10.00   3.20  58.22) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.60 +/- 1.00   0.180% *  0.0199% (0.14   1.0  1.00   0.02   0.11) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.62 +/- 0.86   0.008% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.66 +/- 0.81   0.007% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.20 +/- 0.47   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.22 +/- 1.28   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.813% * 99.7552% (0.71  10.0 10.00   3.62  58.22) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.60 +/- 1.00   0.179% *  0.0227% (0.16   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.36 +/- 0.91   0.005% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  14.71 +/- 1.46   0.001% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  14.25 +/- 1.01   0.001% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.22 +/- 1.28   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 = 0.674, support = 0.59, residual support = 3.69:
          QD1   LEU   63 - HB    VAL  107   4.67 +/- 0.92  58.266% * 30.8004% (0.71   0.46   0.42) =  51.966%  kept
          QD2   LEU  115 - HB    VAL  107   5.28 +/- 0.59  31.275% * 47.4330% (0.67   0.75   8.03) =  42.956%  kept
          QD2   LEU   63 - HB    VAL  107   6.29 +/- 1.11   9.751% * 17.9117% (0.33   0.58   0.42) =   5.057%  kept
          QD1   LEU  104 - HB    VAL  107  10.50 +/- 0.51   0.387% *  0.9412% (0.50   0.02   0.02) =   0.011%
          QD1   LEU   73 - HB    VAL  107  11.93 +/- 0.55   0.202% *  1.3431% (0.71   0.02   0.02) =   0.008%
          QD2   LEU   80 - HB    VAL  107  17.42 +/- 3.44   0.037% *  1.2289% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL  107  16.93 +/- 3.82   0.083% *  0.3417% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.6:
          QD    PHE   95 - HB    VAL  107   2.35 +/- 0.71  99.989% * 99.8337% (0.63   3.85  45.63) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.00 +/- 0.55   0.011% *  0.1663% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.46:
          QD    PHE   97 - HB    VAL  107   5.23 +/- 0.99  99.941% * 54.4328% (0.33   0.02   2.46) =  99.951%  kept
          HZ3   TRP   87 - HB    VAL  107  23.33 +/- 3.74   0.059% * 45.5672% (0.27   0.02   0.02) =   0.049%
    Distance limit 3.74 A violated in 15 structures by 1.49 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 = 58.2:
      O   HN    VAL  107 - HB    VAL  107   2.33 +/- 0.06  99.999% * 99.8992% (0.72  10.0   3.33  58.22) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.11 +/- 0.83   0.001% *  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 = 45.6:
          HN    PHE   95 - HB    VAL  107   3.97 +/- 0.77 100.000% *100.0000% (0.47   3.24  45.63) = 100.000%  kept
    Distance limit 4.11 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.08 +/- 0.04  98.852% * 99.3994% (0.99  10.0  1.00   4.07  58.22) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   4.75 +/- 0.70   1.076% *  0.1985% (0.20   1.0 10.00   0.02   0.11) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   7.40 +/- 0.62   0.057% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.28 +/- 0.53   0.013% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  17.10 +/- 1.01   0.000% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.88 +/- 0.51   0.001% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 58.2:
      O T HB    VAL  107 - QG1   VAL  107   2.13 +/- 0.01  99.770% * 99.5757% (0.65  10.0 10.00   3.62  58.22) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.19 +/- 0.20   0.170% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.85 +/- 0.90   0.053% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  11.13 +/- 0.73   0.005% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.46 +/- 1.41   0.000% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.49 +/- 0.75   0.000% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.48 +/- 0.42   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 = 58.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.701% * 99.2330% (0.65  10.0 10.00   3.20  58.22) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.68 +/- 0.85   0.150% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.47 +/- 0.29   0.131% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.39 +/- 0.82   0.017% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.10 +/- 1.40   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  20.13 +/- 0.92   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.35 +/- 0.44   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 1.74, residual support = 5.33:
        T QB    GLU- 114 - QG2   VAL  107   3.54 +/- 0.62  68.139% * 98.5355% (0.65 10.00   1.74   5.33) =  99.908%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.67 +/- 1.26  26.945% *  0.1738% (0.99  1.00   0.02   0.02) =   0.070%
        T HB    ILE  119 - QG2   VAL  107   6.22 +/- 0.92   4.854% *  0.3071% (0.18 10.00   0.02   0.11) =   0.022%
          HB2   GLN   17 - QG2   VAL  107  16.35 +/- 0.73   0.009% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.10 +/- 0.68   0.013% *  0.0993% (0.57  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.08 +/- 0.74   0.007% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  16.86 +/- 1.02   0.008% *  0.1404% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  16.57 +/- 1.15   0.009% *  0.0854% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  19.52 +/- 1.30   0.003% *  0.1659% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.60 +/- 0.64   0.004% *  0.0721% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  17.07 +/- 0.63   0.006% *  0.0307% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.09 +/- 0.49   0.004% *  0.0390% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 7 structures by 0.69 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.941, support = 1.14, residual support = 2.63:
        T QD1   LEU   63 - QG1   VAL  107   4.24 +/- 0.80  33.724% * 65.7774% (0.98 10.00   0.75   0.42) =  66.653%  kept
          QD2   LEU  115 - QG1   VAL  107   3.72 +/- 0.41  55.008% * 17.6229% (0.92  1.00   2.13   8.03) =  29.128%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.16 +/- 1.01  10.743% * 13.0097% (0.45 10.00   0.32   0.42) =   4.200%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.31 +/- 0.56   0.424% *  1.2292% (0.69 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - QG1   VAL  107  11.23 +/- 0.41   0.064% *  1.7541% (0.98 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   83 - QG1   VAL  107  15.65 +/- 3.28   0.025% *  0.4462% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  16.09 +/- 2.86   0.013% *  0.1605% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.46 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.31, residual support = 8.03:
          QD1   LEU  115 - QG2   VAL  107   3.26 +/- 0.64  99.818% * 97.7461% (0.38   1.31   8.03) =  99.996%  kept
          QG1   VAL   75 - QG2   VAL  107  10.37 +/- 0.92   0.182% *  2.2539% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.58 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.873, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.65 +/- 1.27  87.395% * 58.0948% (0.90   0.02   0.02) =  90.577%  kept
          QG2   ILE   19 - QG2   VAL  107  13.85 +/- 0.60  12.605% * 41.9052% (0.65   0.02   0.02) =   9.423%  kept
    Distance limit 3.26 A violated in 20 structures by 6.14 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 58.2:
      O T HA    VAL  107 - QG2   VAL  107   2.61 +/- 0.10  94.696% * 99.4123% (0.45  10.0 10.00   3.63  58.22) =  99.996%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.02 +/- 0.75   5.233% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QG2   VAL  107   9.36 +/- 0.87   0.052% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.67 +/- 0.91   0.017% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.33 +/- 0.62   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.289, support = 0.02, residual support = 0.742:
        T HB    ILE  119 - QG1   VAL  107   4.99 +/- 0.72  68.556% * 33.0939% (0.25 10.00   0.02   0.11) =  90.049%  kept
          HB2   PRO   93 - QG1   VAL  107   8.36 +/- 1.65  11.271% * 11.0857% (0.84  1.00   0.02   0.02) =   4.959%  kept
          HB    VAL  108 - QG1   VAL  107   6.10 +/- 0.17  17.724% *  5.9502% (0.45  1.00   0.02  15.34) =   4.186%  kept
          HG2   PRO   58 - QG1   VAL  107   9.22 +/- 1.05   1.866% *  8.5857% (0.65  1.00   0.02   0.02) =   0.636%  kept
          HG3   PRO   52 - QG1   VAL  107  12.21 +/- 1.36   0.343% *  8.5857% (0.65  1.00   0.02   0.02) =   0.117%
          HB2   ARG+  54 - QG1   VAL  107  13.65 +/- 0.54   0.137% *  6.9827% (0.53  1.00   0.02   0.02) =   0.038%
          HB2   GLN   30 - QG1   VAL  107  16.80 +/- 0.44   0.040% *  3.3094% (0.25  1.00   0.02   0.02) =   0.005%
          HB3   GLU- 100 - QG1   VAL  107  16.30 +/- 0.50   0.050% *  2.6265% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG1   VAL  107  20.93 +/- 1.17   0.011% *  9.6374% (0.73  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG1   VAL  107  28.20 +/- 1.99   0.002% * 10.1428% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 15 structures by 1.24 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.897, support = 1.14, residual support = 8.0:
          HA    LEU  115 - QG1   VAL  107   1.81 +/- 0.10  99.096% * 46.2800% (0.90   1.14   8.03) =  99.026%  kept
          HA    GLU- 114 - QG1   VAL  107   4.36 +/- 0.67   0.901% * 50.0647% (0.92   1.20   5.33) =   0.974%  kept
          HA1   GLY  101 - QG1   VAL  107  14.40 +/- 0.49   0.000% *  0.8977% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  12.50 +/- 0.65   0.001% *  0.3090% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  12.03 +/- 0.61   0.001% *  0.2259% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.92 +/- 0.55   0.000% *  0.8878% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.34 +/- 0.57   0.000% *  0.7857% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.04 +/- 0.50   0.000% *  0.5494% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.2:
      O T HA    VAL  107 - QG1   VAL  107   2.22 +/- 0.10  99.766% * 99.4123% (0.45  10.0 10.00   4.31  58.22) = 100.000%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.71 +/- 0.75   0.227% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.68 +/- 0.89   0.005% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  13.85 +/- 0.90   0.002% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.38 +/- 0.41   0.001% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 0.54, residual support = 2.3:
          QD    PHE   59 - QG1   VAL  107   3.94 +/- 0.94  99.819% * 85.1797% (0.49   0.54   2.30) =  99.990%  kept
          HH2   TRP   49 - QG1   VAL  107  16.18 +/- 1.20   0.058% *  6.2536% (0.97   0.02   0.02) =   0.004%
          HE21  GLN   30 - QG1   VAL  107  15.34 +/- 0.88   0.055% *  5.4125% (0.84   0.02   0.02) =   0.003%
          HD1   TRP   27 - QG1   VAL  107  15.21 +/- 0.55   0.068% *  3.1541% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.12 A violated in 8 structures by 0.93 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 45.6:
          QD    PHE   95 - QG2   VAL  107   2.33 +/- 0.57  99.880% * 99.4879% (0.95   3.86  45.63) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  10.32 +/- 0.60   0.036% *  0.4166% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   8.56 +/- 0.93   0.084% *  0.0955% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.83, residual support = 8.03:
          HN    LEU  115 - QG2   VAL  107   3.08 +/- 0.30  97.537% * 98.5863% (0.90   1.83   8.03) =  99.988%  kept
          HN    ASP- 113 - QG2   VAL  107   5.96 +/- 0.40   1.962% *  0.3346% (0.28   0.02   0.02) =   0.007%
          HN    PHE   97 - QG2   VAL  107   7.73 +/- 0.61   0.501% *  1.0791% (0.90   0.02   2.46) =   0.006%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.43 +/- 0.07  99.599% * 99.3374% (0.57   3.64  15.34) =  99.997%  kept
          HN    VAL   43 - QG2   VAL  107   8.74 +/- 0.48   0.401% *  0.6626% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   2.94 +/- 0.21  99.992% * 99.4776% (0.99   3.84  58.22) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.68 +/- 0.84   0.008% *  0.5224% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 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   8.41 +/- 0.37 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.43 A violated in 20 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   3.09 +/- 0.39  99.924% * 99.9027% (0.99  10.0   2.20   6.40) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  10.90 +/- 1.34   0.076% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.35:
      O   HN    GLY  109 - HA2   GLY  109   2.59 +/- 0.28  99.992% * 99.5895% (0.53  10.0   2.20   9.35) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  13.30 +/- 1.46   0.007% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.10 +/- 0.55   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  21.68 +/- 3.37   0.001% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.73 +/- 0.46  99.933% * 99.8788% (0.57  10.0   4.08  62.13) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  10.63 +/- 0.86   0.067% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.45:
          HN    GLY  109 - QG1   VAL  108   2.36 +/- 0.22  99.979% * 89.7984% (0.14   3.09   7.45) =  99.999%  kept
          HN    GLN   90 - QG1   VAL  108  10.80 +/- 1.14   0.015% *  3.7235% (0.87   0.02   0.02) =   0.001%
          HN    ILE  103 - QG1   VAL  108  13.10 +/- 0.61   0.004% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  17.05 +/- 3.32   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.99 +/- 0.87   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.60 +/- 0.05  99.789% * 99.4664% (0.57   4.52  62.13) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.14 +/- 0.59   0.211% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.74 +/- 0.58  99.624% * 99.4087% (0.57   4.08  62.13) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  108   8.12 +/- 0.85   0.376% *  0.5913% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.798, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.83 +/- 0.92  90.831% * 32.6470% (0.80   0.02   0.02) =  91.397%  kept
          HN    SER   82 - QG2   VAL  108  17.35 +/- 3.28   7.199% * 28.0060% (0.69   0.02   0.02) =   6.214%  kept
          HN    GLY   16 - QG2   VAL  108  19.18 +/- 0.86   1.970% * 39.3470% (0.97   0.02   0.02) =   2.389%  kept
    Distance limit 4.24 A violated in 20 structures by 5.42 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  14.87 +/- 0.76 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.81 A violated in 20 structures by 11.07 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.47:
          HA    LYS+ 106 - QG2   VAL  108   4.60 +/- 0.09 100.000% *100.0000% (0.28   1.42   5.47) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.64 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.56, residual support = 315.0:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.61 +/- 0.15  99.015% * 98.2964% (0.69  10.0  1.00   6.56 315.02) =  99.999%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.33 +/- 1.93   0.181% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.44 +/- 0.75   0.762% *  0.0251% (0.18   1.0  1.00   0.02  27.98) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.68 +/- 2.19   0.019% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.44 +/- 1.85   0.009% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.21 +/- 2.04   0.008% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  14.93 +/- 1.05   0.003% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  17.92 +/- 1.81   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  18.29 +/- 1.96   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.47 +/- 2.76   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.32 +/- 4.16   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.25 +/- 2.02   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.13 +/- 2.06   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.68 +/- 2.38   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 3.15, residual support = 25.9:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.67 +/- 1.37  15.700% * 87.4876% (0.31  1.00   3.40  27.98) =  92.752%  kept
          QG2   VAL  107 - HB3   LYS+ 111   3.92 +/- 1.48  83.874% *  1.2751% (0.76  1.00   0.02   0.02) =   7.222%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.10 +/- 1.47   0.021% *  8.7784% (0.53 10.00   0.02   0.02) =   0.013%
          QG2   THR   94 - HB3   LYS+ 111   8.79 +/- 1.34   0.392% *  0.4639% (0.28  1.00   0.02   0.02) =   0.012%
          HG13  ILE  103 - HB3   LYS+ 111  15.95 +/- 1.91   0.010% *  1.6648% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.48 +/- 1.38   0.002% *  0.3302% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.28 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.0:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.96 +/- 0.11  98.114% * 99.9336% (0.97  10.0   6.96 315.02) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.45 +/- 1.79   1.811% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  10.72 +/- 1.47   0.075% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.0:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.46 +/- 0.47  99.427% * 99.6823% (0.73  10.0   5.50 315.02) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.97 +/- 1.43   0.561% *  0.0468% (0.34   1.0   0.02   2.22) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  13.95 +/- 1.82   0.011% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  22.61 +/- 3.22   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.88 +/- 2.39   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.0:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.38 +/- 0.36  98.821% * 99.5678% (1.00  10.0   7.06 315.02) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.66 +/- 1.31   0.331% *  0.0834% (0.84   1.0   0.02   2.22) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.55 +/- 1.98   0.040% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.20 +/- 0.77   0.172% *  0.0146% (0.15   1.0   0.02   1.63) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.32 +/- 0.70   0.625% *  0.0031% (0.03   1.0   0.02   8.89) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  23.81 +/- 3.53   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.63 +/- 0.84   0.004% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  21.63 +/- 3.02   0.002% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  24.23 +/- 0.77   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.07 +/- 1.57   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.19 +/- 1.47   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.95 +/- 2.07   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.0:
          HN    LYS+ 111 - HG2   LYS+ 111   3.09 +/- 0.67  99.689% * 94.2678% (0.18   6.51 315.02) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  10.80 +/- 1.46   0.223% *  0.8052% (0.49   0.02   2.22) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  15.90 +/- 2.12   0.032% *  1.0034% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  15.21 +/- 2.66   0.049% *  0.5106% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  22.80 +/- 5.82   0.004% *  1.4836% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  24.83 +/- 1.88   0.001% *  1.6397% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  22.36 +/- 3.23   0.002% *  0.2897% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.0:
          HN    LYS+ 111 - HG3   LYS+ 111   3.25 +/- 0.41  99.687% * 98.0229% (0.65   6.55 315.02) = 100.000%  kept
          HN    ILE   56 - HG3   LYS+ 111  11.29 +/- 1.36   0.069% *  0.4462% (0.97   0.02   2.22) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.03 +/- 1.31   0.106% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.05 +/- 1.95   0.009% *  0.4614% (1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.09 +/- 0.89   0.057% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  22.75 +/- 6.20   0.007% *  0.1735% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.83 +/- 0.98   0.024% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  22.43 +/- 3.74   0.002% *  0.2991% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  14.76 +/- 1.84   0.017% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.52 +/- 1.62   0.008% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  18.18 +/- 3.96   0.012% *  0.0185% (0.04   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  24.63 +/- 2.04   0.001% *  0.2618% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  22.39 +/- 1.08   0.001% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.82 +/- 2.44   0.000% *  0.1153% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.66, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.15 +/- 0.56  99.819% * 92.7369% (0.09   5.66  31.82) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.28 +/- 1.03   0.172% *  0.4054% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.16 +/- 1.96   0.006% *  3.0645% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.26 +/- 2.50   0.003% *  3.7932% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.754, support = 0.823, residual support = 2.52:
        T HB2   LEU  115 - HA    LYS+ 112   2.84 +/- 0.65  92.514% * 68.6539% (0.76 10.00   0.75   2.24) =  98.351%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.16 +/- 0.16   4.819% * 15.4860% (0.18  1.00   7.38  27.98) =   1.156%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.77 +/- 0.43   2.126% * 14.9403% (0.73  1.00   1.72   0.11) =   0.492%
          HG3   PRO   58 - HA    LYS+ 112   8.20 +/- 1.83   0.531% *  0.1918% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  17.29 +/- 1.12   0.004% *  0.0899% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  22.11 +/- 1.44   0.001% *  0.2078% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.91 +/- 0.71   0.001% *  0.1918% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.61 +/- 1.30   0.003% *  0.0420% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  21.54 +/- 1.15   0.001% *  0.0533% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.50 +/- 1.07   0.001% *  0.0533% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  28.06 +/- 1.52   0.000% *  0.0899% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.56:
        T QD1   ILE   56 - HA    LYS+ 112   3.82 +/- 1.71  98.352% * 99.7141% (0.84 10.00   1.82   8.56) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.13 +/- 0.96   0.533% *  0.1212% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  11.90 +/- 0.62   1.005% *  0.0365% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  16.93 +/- 1.00   0.099% *  0.0743% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  25.14 +/- 1.30   0.011% *  0.0540% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 5 structures by 0.87 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 1.7, residual support = 3.09:
          QD    PHE   55 - HA    LYS+ 112   4.35 +/- 0.66  85.078% * 96.9382% (0.95   1.71   3.10) =  99.877%  kept
          QE    PHE   95 - HA    LYS+ 112   6.74 +/- 1.49  14.876% *  0.6802% (0.57   0.02   0.02) =   0.123%
          HE3   TRP   27 - HA    LYS+ 112  21.79 +/- 1.00   0.007% *  1.1776% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HA    LYS+ 112  17.28 +/- 1.46   0.032% *  0.2378% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  23.70 +/- 1.14   0.004% *  0.6321% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.48 +/- 2.02   0.003% *  0.3340% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 7 structures by 0.72 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 232.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.06  99.984% * 99.7200% (0.92  10.0   5.74 232.09) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  14.33 +/- 1.72   0.011% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.20 +/- 1.03   0.004% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.67 +/- 0.83   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  38.14 +/- 1.36   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.22, residual support = 232.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.79 +/- 0.41  99.981% * 98.9761% (0.41   6.22 232.09) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  20.54 +/- 2.64   0.009% *  0.5918% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  18.49 +/- 1.84   0.010% *  0.2390% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  39.20 +/- 1.70   0.000% *  0.1931% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.683, support = 0.02, residual support = 0.02:
          HN    PHE   59 - HG2   LYS+ 112   7.94 +/- 1.44  63.026% * 17.7173% (0.53   0.02   0.02) =  52.258%  kept
          QE    PHE   59 - HG2   LYS+ 112   9.12 +/- 1.11  29.814% * 30.2011% (0.90   0.02   0.02) =  42.138%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.71 +/- 1.43   6.331% * 15.0977% (0.45   0.02   0.02) =   4.473%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.61 +/- 1.43   0.765% * 31.0863% (0.92   0.02   0.02) =   1.113%  kept
          HN    LYS+  81 - HG2   LYS+ 112  26.23 +/- 2.44   0.064% *  5.8976% (0.18   0.02   0.02) =   0.018%
    Distance limit 4.02 A violated in 20 structures by 3.21 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.59, residual support = 232.1:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.48 +/- 0.31  99.981% * 93.9398% (0.20  10.0 10.00   4.59 232.09) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.51 +/- 1.48   0.016% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  19.05 +/- 1.37   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.53 +/- 1.88   0.002% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  26.17 +/- 4.00   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  33.40 +/- 1.63   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  35.10 +/- 1.72   0.000% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 232.1:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.84 +/- 0.48  99.960% * 93.9398% (0.20  10.0 10.00   4.65 232.09) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.62 +/- 1.16   0.030% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HG3   LYS+ 112  15.98 +/- 2.19   0.007% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  18.34 +/- 1.60   0.002% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  25.65 +/- 4.29   0.001% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.88 +/- 1.81   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  34.66 +/- 1.80   0.000% *  0.2128% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.331, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   8.20 +/- 2.07  96.578% *  6.9459% (0.28   0.02   0.02) =  90.401%  kept
          HD1   TRP   49 - HG3   LYS+ 112  18.24 +/- 2.95   1.994% * 24.1093% (0.97   0.02   0.02) =   6.478%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.74 +/- 1.55   1.090% * 17.1603% (0.69   0.02   0.02) =   2.521%  kept
          HD2   HIS   22 - HG3   LYS+ 112  29.26 +/- 2.08   0.075% * 24.9820% (1.00   0.02   0.02) =   0.253%
          HN    THR   23 - HG3   LYS+ 112  24.72 +/- 2.10   0.214% *  7.7106% (0.31   0.02   0.02) =   0.223%
          HD21  ASN   35 - HG3   LYS+ 112  32.70 +/- 1.72   0.048% * 19.0919% (0.76   0.02   0.02) =   0.124%
    Distance limit 4.16 A violated in 19 structures by 3.98 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 = 232.1:
          HN    LYS+ 112 - HG3   LYS+ 112   3.16 +/- 0.62  99.989% * 98.9290% (0.41   5.94 232.09) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.24 +/- 2.80   0.005% *  0.6190% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  18.09 +/- 2.06   0.006% *  0.2500% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  39.26 +/- 1.83   0.000% *  0.2020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.79, residual support = 232.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.34 +/- 0.14  99.990% * 95.1769% (0.20  10.0  1.00   3.79 232.09) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.94 +/- 1.89   0.008% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.43 +/- 2.01   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.01 +/- 2.21   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  26.48 +/- 4.42   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.84 +/- 2.02   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  35.51 +/- 1.98   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 232.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.67 +/- 0.25  99.964% * 99.7845% (0.85  10.0   5.53 232.09) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.59 +/- 1.92   0.030% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.20 +/- 1.04   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 232.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.42 +/- 0.14  99.986% * 98.0934% (0.19  10.0   2.96 232.09) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.85 +/- 1.74   0.012% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.73 +/- 1.66   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.64 +/- 2.06   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.11 +/- 4.76   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  34.30 +/- 1.58   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  35.72 +/- 1.57   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.59, residual support = 232.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.48 +/- 0.31  99.870% * 99.5374% (0.75  10.0 10.00   4.59 232.09) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.51 +/- 1.48   0.016% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  10.98 +/- 1.47   0.026% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  11.94 +/- 1.47   0.018% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.85 +/- 0.74   0.066% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.58 +/- 0.89   0.003% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.56:
          QD1   ILE   56 - QE    LYS+ 112   4.23 +/- 1.40  87.746% * 88.7743% (0.44   1.45   8.56) =  99.954%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.51 +/- 0.51   7.427% *  0.2498% (0.09   0.02   0.02) =   0.024%
          QG2   THR   46 - QE    LYS+ 112  11.01 +/- 1.80   0.701% *  0.7164% (0.26   0.02   0.02) =   0.006%
          QG2   VAL   18 - HB3   ASP-  62   8.90 +/- 0.70   2.096% *  0.1952% (0.07   0.02   0.02) =   0.005%
          QG2   THR   46 - HB3   ASP-  62  11.13 +/- 1.90   1.205% *  0.1466% (0.05   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  15.03 +/- 1.36   0.091% *  1.5014% (0.54   0.02   0.02) =   0.002%
          QG2   VAL   18 - QE    LYS+ 112  13.30 +/- 1.87   0.142% *  0.9542% (0.34   0.02   0.02) =   0.002%
          QD2   LEU   73 - QE    LYS+ 112  16.25 +/- 1.72   0.051% *  1.8585% (0.67   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB3   ASP-  62  13.09 +/- 0.72   0.229% *  0.3802% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.79 +/- 0.80   0.181% *  0.3072% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  18.30 +/- 1.36   0.028% *  1.9386% (0.70   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  15.46 +/- 0.72   0.088% *  0.3966% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  24.31 +/- 1.78   0.005% *  2.1425% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  22.23 +/- 1.30   0.010% *  0.4384% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 10 structures by 0.89 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 232.1:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.84 +/- 0.48  92.352% * 99.5398% (0.81  10.0 10.00   4.65 232.09) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.79 +/- 0.95   7.466% *  0.0189% (0.15   1.0  1.00   0.02  42.46) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  10.73 +/- 2.63   0.069% *  0.0925% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.62 +/- 1.16   0.027% *  0.2037% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.76 +/- 0.95   0.063% *  0.0257% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  19.09 +/- 1.06   0.001% *  0.0788% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.76 +/- 1.14   0.012% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.40 +/- 1.44   0.002% *  0.0159% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  19.05 +/- 0.99   0.002% *  0.0161% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.38 +/- 1.15   0.005% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.493, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.68 +/- 0.85  30.184% * 59.7816% (0.51 10.00   0.02   0.02) =  91.393%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.79 +/- 2.29  15.187% *  6.3761% (0.54  1.00   0.02   0.02) =   4.904%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.03 +/- 1.10  49.167% *  1.3045% (0.11  1.00   0.02   0.02) =   3.249%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.99 +/- 1.28   4.631% *  1.2231% (0.10  1.00   0.02   0.02) =   0.287%
          HG2   LYS+ 121 - QE    LYS+ 112  15.37 +/- 1.49   0.188% *  8.2327% (0.70  1.00   0.02   0.02) =   0.078%
          QB    ALA   20 - QE    LYS+ 112  17.91 +/- 1.67   0.075% *  9.8344% (0.83  1.00   0.02   0.02) =   0.037%
          HG2   LYS+ 121 - HB3   ASP-  62  14.11 +/- 1.17   0.268% *  1.6844% (0.14  1.00   0.02   0.02) =   0.023%
          QB    ALA   20 - HB3   ASP-  62  15.02 +/- 0.47   0.190% *  2.0121% (0.17  1.00   0.02   0.02) =   0.019%
          HG13  ILE  103 - QE    LYS+ 112  18.99 +/- 1.30   0.051% *  1.9506% (0.17  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - QE    LYS+ 112  25.93 +/- 2.04   0.007% *  5.9782% (0.51  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB3   ASP-  62  19.02 +/- 1.19   0.042% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   ASP-  62  23.74 +/- 1.32   0.011% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 20 structures by 2.06 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.724, support = 0.858, residual support = 3.1:
          QD    PHE   55 - QE    LYS+ 112   3.46 +/- 0.93  92.781% * 88.4228% (0.72   0.86   3.10) =  99.898%  kept
          QE    PHE   95 - QE    LYS+ 112   7.73 +/- 2.15   2.861% *  2.3279% (0.82   0.02   0.02) =   0.081%
          QE    PHE   95 - HB3   ASP-  62   8.21 +/- 1.00   1.844% *  0.4763% (0.17   0.02   0.02) =   0.011%
          HN    LEU   67 - HB3   ASP-  62   8.16 +/- 0.97   2.104% *  0.3143% (0.11   0.02   0.02) =   0.008%
          QD    PHE   55 - HB3   ASP-  62  10.54 +/- 0.81   0.327% *  0.4215% (0.15   0.02   0.02) =   0.002%
          HN    LEU   67 - QE    LYS+ 112  16.30 +/- 2.51   0.022% *  1.5363% (0.54   0.02   0.02) =   0.000%
          HD1   TRP   49 - QE    LYS+ 112  16.15 +/- 2.52   0.034% *  0.7330% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  20.98 +/- 1.52   0.004% *  1.9017% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.00 +/- 1.68   0.003% *  2.2920% (0.81   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.59 +/- 0.92   0.006% *  0.4689% (0.16   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  20.03 +/- 0.96   0.006% *  0.3891% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  21.27 +/- 1.65   0.004% *  0.1500% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  25.90 +/- 2.01   0.001% *  0.4700% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  23.34 +/- 0.63   0.002% *  0.0962% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.29, residual support = 21.4:
          HN    GLU- 114 - QB    ASP- 113   2.48 +/- 0.14  98.293% * 98.0087% (0.84   3.29  21.37) =  99.988%  kept
          HN    GLN  116 - QB    ASP- 113   5.08 +/- 0.21   1.462% *  0.6982% (0.98   0.02   1.50) =   0.011%
          HN    THR  118 - QB    ASP- 113   7.12 +/- 0.74   0.239% *  0.5704% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.53 +/- 0.57   0.007% *  0.4033% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.72 +/- 0.76   0.000% *  0.3194% (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 = 3.42, residual support = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.10 +/- 0.07  99.999% * 99.9821% (0.98  10.0   3.42  14.27) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.53 +/- 1.35   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 = 0.412, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.78 +/- 0.90  98.096% * 39.4133% (0.41 10.00   0.02   0.02) =  99.123%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.37 +/- 0.99   0.597% * 50.4393% (0.53 10.00   0.02   0.02) =   0.772%  kept
          HB    ILE   89 - HA    ASP- 113  24.45 +/- 2.83   0.315% *  8.8499% (0.92  1.00   0.02   0.02) =   0.072%
          HB    VAL   43 - HA    ASP- 113  19.54 +/- 0.56   0.992% *  1.2975% (0.14  1.00   0.02   0.02) =   0.033%
    Distance limit 3.62 A violated in 20 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 4.01, residual support = 49.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  54.077% * 54.7645% (0.84  10.0   3.62  43.95) =  87.950%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  11.975% * 29.5763% (0.45  10.0   7.51 102.33) =  10.518%  kept
          HN    GLN  116 - HA    GLU- 114   4.39 +/- 0.31   4.236% *  9.8901% (0.98   1.0   3.08   0.31) =   1.244%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.12   1.544% *  5.5953% (0.38   1.0   4.44  15.36) =   0.257%
          HN    THR  118 - HA    GLU- 114   4.13 +/- 0.90  13.102% *  0.0525% (0.80   1.0   0.02   0.02) =   0.020%
          HN    THR  118 - HA    LEU  115   3.65 +/- 0.45  14.955% *  0.0242% (0.37   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   8.18 +/- 0.80   0.103% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.69 +/- 0.61   0.006% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.98 +/- 0.79   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.77 +/- 1.22   0.000% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.569, support = 6.74, residual support = 159.7:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  79.827% * 31.4756% (0.41  10.0   7.61 228.25) =  67.789%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.456% * 68.3936% (0.90  10.0   4.91  15.36) =  32.210%  kept
          HN    ASP- 113 - HA    GLU- 114   5.07 +/- 0.13   2.175% *  0.0212% (0.28   1.0   0.02  21.37) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.51 +/- 0.23   0.490% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.00 +/- 0.81   0.041% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.52 +/- 1.41   0.012% *  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 = 3.83, residual support = 44.0:
      O   HN    GLU- 114 - QB    GLU- 114   2.24 +/- 0.21  97.188% * 99.6664% (0.81  10.0   3.83  43.95) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.78 +/- 0.68   1.867% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   5.03 +/- 0.27   0.937% *  0.1170% (0.95   1.0   0.02   0.31) =   0.001%
          HN    PHE   60 - QB    GLU- 114  11.12 +/- 0.88   0.009% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.44 +/- 1.29   0.000% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 4.79, residual support = 15.5:
          HN    LEU  115 - QB    GLU- 114   3.09 +/- 0.37  87.339% * 82.5984% (0.87   4.83  15.36) =  97.108%  kept
          HN    ASP- 113 - QB    GLU- 114   4.42 +/- 0.21  12.593% * 17.0597% (0.27   3.22  21.37) =   2.892%  kept
          HN    PHE   97 - QB    GLU- 114  10.46 +/- 1.37   0.068% *  0.3419% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.839, support = 4.34, residual support = 42.3:
          HN    GLU- 114 - QG    GLU- 114   2.68 +/- 0.43  87.885% * 52.2281% (0.83   4.38  43.95) =  96.098%  kept
          HN    GLN  116 - QG    GLU- 114   5.07 +/- 0.70   3.904% * 47.2539% (0.98   3.38   0.31) =   3.863%  kept
          HN    THR  118 - QG    GLU- 114   4.76 +/- 1.08   8.167% *  0.2285% (0.80   0.02   0.02) =   0.039%
          HN    PHE   60 - QG    GLU- 114  10.80 +/- 1.49   0.043% *  0.1616% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  18.08 +/- 1.35   0.001% *  0.1280% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.25, residual support = 15.4:
          HN    LEU  115 - QG    GLU- 114   3.11 +/- 0.96  99.702% * 98.3954% (0.45   5.25  15.36) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.12 +/- 1.34   0.296% *  0.3746% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.70 +/- 1.37   0.001% *  0.4396% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  32.58 +/- 1.83   0.000% *  0.7904% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 0.593, residual support = 5.08:
          QG1   VAL  107 - QG    GLU- 114   3.24 +/- 1.09  86.353% * 72.3165% (0.98   0.61   5.33) =  95.145%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.96 +/- 1.93  13.327% * 23.8952% (0.83   0.24   0.11) =   4.852%  kept
          HG13  ILE  119 - QG    GLU- 114   8.33 +/- 1.37   0.307% *  0.5371% (0.22   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG    GLU- 114  16.70 +/- 1.50   0.006% *  2.2271% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  16.38 +/- 1.23   0.006% *  0.4225% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.69 +/- 1.61   0.001% *  0.6016% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.33:
        T QG2   VAL  107 - QB    GLU- 114   3.54 +/- 0.62  98.918% * 99.3804% (0.59 10.00   1.74   5.33) =  99.999%  kept
          HG13  ILE  119 - QB    GLU- 114   8.53 +/- 0.96   0.750% *  0.1220% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114  10.15 +/- 1.19   0.269% *  0.1576% (0.81  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QB    GLU- 114  12.81 +/- 1.09   0.057% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  19.02 +/- 0.98   0.005% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  22.07 +/- 1.70   0.002% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 6 structures by 0.61 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.33, residual support = 228.2:
      O T HA    LEU  115 - HB3   LEU  115   2.29 +/- 0.08  99.642% * 97.8960% (0.92  10.0 10.00   6.33 228.25) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.32 +/- 0.30   0.255% *  0.4755% (0.45   1.0 10.00   0.02  15.36) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.53 +/- 0.84   0.007% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.03 +/- 0.60   0.063% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40   9.82 +/- 0.88   0.020% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.54 +/- 0.70   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  15.96 +/- 1.06   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  15.14 +/- 2.62   0.004% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.74 +/- 1.22   0.000% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.55 +/- 0.62   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.38 +/- 1.09   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  20.75 +/- 0.92   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.57 +/- 0.81   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.76 +/- 0.89   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.71 +/- 0.92   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.28 +/- 0.91   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  23.29 +/- 1.89   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.08 +/- 0.87   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.61 +/- 1.15   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  28.10 +/- 2.18   0.000% *  0.0038% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.17, residual support = 228.2:
      O T QD1   LEU  115 - HB3   LEU  115   2.41 +/- 0.29  99.992% * 99.7570% (0.87  10.0 10.00   6.17 228.25) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.65 +/- 1.11   0.004% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  14.61 +/- 0.81   0.002% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  15.44 +/- 0.60   0.002% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.37, residual support = 228.2:
      O T QD2   LEU  115 - HB3   LEU  115   2.68 +/- 0.41  93.393% * 98.9032% (0.45  10.0 10.00   7.37 228.25) =  99.995%  kept
          QD1   LEU   63 - HB3   LEU  115   5.52 +/- 1.43   2.174% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU  115   7.18 +/- 1.42   0.351% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   LEU   40   7.26 +/- 0.90   0.496% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU   40   5.89 +/- 0.89   1.896% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.05 +/- 0.38   1.056% *  0.0097% (0.04   1.0  1.00   0.02  20.11) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.47 +/- 0.93   0.181% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   9.11 +/- 0.87   0.100% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.36 +/- 0.60   0.315% *  0.0058% (0.03   1.0  1.00   0.02   9.49) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.51 +/- 1.05   0.008% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.66 +/- 0.75   0.005% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.03 +/- 0.86   0.009% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.91 +/- 1.25   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.13 +/- 0.89   0.004% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  18.78 +/- 2.82   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  19.57 +/- 3.11   0.001% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  20.04 +/- 4.03   0.001% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  21.16 +/- 4.42   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 = 0.951, support = 7.83, residual support = 94.9:
          HN    GLN  116 - HB3   LEU  115   4.05 +/- 0.17  35.679% * 69.5593% (0.98   8.25 102.33) =  91.905%  kept
          HN    GLU- 114 - HB3   LEU  115   5.60 +/- 0.52   5.515% * 25.1362% (0.84   3.50  15.36) =   5.133%  kept
          HN    LEU   71 - HB3   LEU   40   3.96 +/- 0.99  50.578% *  1.1499% (0.05   2.54   1.64) =   2.154%  kept
          HN    THR  118 - HB3   LEU  115   5.69 +/- 0.47   5.504% *  3.9160% (0.80   0.57   0.02) =   0.798%  kept
          HN    PHE   60 - HB3   LEU  115   6.84 +/- 1.13   2.681% *  0.0973% (0.57   0.02   0.02) =   0.010%
          HN    LEU   71 - HB3   LEU  115  17.38 +/- 0.93   0.006% *  0.0771% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.95 +/- 0.94   0.016% *  0.0162% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.85 +/- 0.82   0.014% *  0.0114% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.87 +/- 0.78   0.005% *  0.0198% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.25 +/- 0.91   0.002% *  0.0168% (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 = 7.51, residual support = 228.2:
      O   HN    LEU  115 - HB3   LEU  115   3.13 +/- 0.41  98.117% * 99.8421% (0.90  10.0   7.51 228.25) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.23 +/- 0.63   1.654% *  0.0310% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  11.12 +/- 0.81   0.068% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.55 +/- 0.53   0.156% *  0.0117% (0.11   1.0   0.02   0.74) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.20 +/- 0.74   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.83 +/- 0.77   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.84 +/- 0.65  99.938% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.09 +/- 1.01   0.030% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  12.94 +/- 1.56   0.032% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  26.28 +/- 1.19   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.937, support = 1.72, residual support = 4.39:
          QE    PHE   95 - HB2   LEU  115   5.04 +/- 1.44  66.590% * 43.5983% (0.98   1.48   4.20) =  61.490%  kept
          QD    PHE   55 - HB2   LEU  115   6.18 +/- 0.99  33.273% * 54.6449% (0.87   2.09   4.69) =  38.509%  kept
          HN    LEU   67 - HB2   LEU  115  15.68 +/- 1.53   0.078% *  0.3893% (0.65   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU  115  19.67 +/- 0.90   0.017% *  0.4819% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  18.78 +/- 2.09   0.031% *  0.1857% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  22.05 +/- 1.25   0.009% *  0.5808% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  26.46 +/- 0.92   0.003% *  0.1191% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 9 structures by 0.82 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.781, support = 7.37, residual support = 98.7:
          HN    GLN  116 - HB2   LEU  115   3.27 +/- 0.52  80.498% * 80.7099% (0.80   7.51 102.33) =  95.793%  kept
          HN    GLU- 114 - HB2   LEU  115   4.51 +/- 0.28  15.227% * 18.6634% (0.34   4.08  15.36) =   4.190%  kept
          HN    THR  118 - HB2   LEU  115   5.82 +/- 0.32   3.526% *  0.2630% (0.98   0.02   0.02) =   0.014%
          HN    PHE   60 - HB2   LEU  115   7.80 +/- 0.74   0.748% *  0.2630% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  24.29 +/- 1.15   0.001% *  0.1007% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.37, residual support = 228.2:
      O   HN    LEU  115 - HB2   LEU  115   2.19 +/- 0.18  99.071% * 99.8692% (0.90  10.0   7.37 228.25) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   4.90 +/- 0.38   0.925% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.17 +/- 0.78   0.004% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 5.48, residual support = 71.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  54.010% * 15.8728% (0.19  10.0   3.62  43.95) =  50.295%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  11.960% * 68.0793% (0.82  10.0   7.51 102.33) =  47.768%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.12   1.542% * 12.8794% (0.70   1.0   4.44  15.36) =   1.165%  kept
          HN    GLN  116 - HA    GLU- 114   4.39 +/- 0.31   4.231% *  2.8665% (0.22   1.0   3.08   0.31) =   0.712%  kept
          HN    THR  118 - HA    LEU  115   3.65 +/- 0.45  14.937% *  0.0556% (0.67   1.0   0.02   0.02) =   0.049%
          HN    THR  118 - HA    GLU- 114   4.13 +/- 0.90  13.092% *  0.0152% (0.18   1.0   0.02   0.02) =   0.012%
          HN    PHE   60 - HA    LEU  115   8.18 +/- 0.80   0.103% *  0.0393% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.03 +/- 0.48   0.109% *  0.0220% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.90 +/- 0.92   0.004% *  0.0382% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  15.11 +/- 0.65   0.002% *  0.0325% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.69 +/- 0.61   0.006% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.69 +/- 0.92   0.001% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.98 +/- 0.79   0.001% *  0.0311% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.45 +/- 0.73   0.000% *  0.0175% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.77 +/- 1.22   0.000% *  0.0085% (0.10   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 = 0.718, support = 7.46, residual support = 216.2:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  79.817% * 78.3350% (0.75  10.0   7.61 228.25) =  94.354%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.454% * 21.4329% (0.20  10.0   4.91  15.36) =   5.645%  kept
          HN    ASP- 113 - HA    GLU- 114   5.07 +/- 0.13   2.175% *  0.0066% (0.06   1.0   0.02  21.37) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.51 +/- 0.23   0.490% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.00 +/- 0.81   0.041% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.50 +/- 0.65   0.006% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.52 +/- 1.41   0.012% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.01 +/- 0.76   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.19 +/- 0.81   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 7.53, residual support = 228.2:
          HN    LEU  115 - HG    LEU  115   3.59 +/- 0.81  92.103% * 99.4469% (0.78   7.53 228.25) =  99.993%  kept
          HN    ASP- 113 - HG    LEU  115   5.72 +/- 1.31   6.002% *  0.0819% (0.24   0.02   0.02) =   0.005%
          HN    PHE   97 - HG    LEU   40   7.85 +/- 0.91   1.733% *  0.0897% (0.26   0.02   0.74) =   0.002%
          HN    PHE   97 - HG    LEU  115  12.83 +/- 1.38   0.144% *  0.2640% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.84 +/- 0.93   0.014% *  0.0897% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.50 +/- 0.93   0.004% *  0.0278% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.10 +/- 0.56 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.78 A violated in 20 structures by 6.32 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.779, support = 1.68, residual support = 4.48:
          QD    PHE   55 - QD1   LEU  115   4.19 +/- 0.92  37.968% * 66.4928% (0.95   1.84   4.69) =  56.011%  kept
          QE    PHE   95 - QD1   LEU  115   3.58 +/- 1.56  61.975% * 31.9921% (0.57   1.48   4.20) =  43.989%  kept
          HN    LEU   67 - QD1   LEU  115  12.06 +/- 1.16   0.049% *  0.1513% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.28 +/- 1.50   0.005% *  0.7492% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  17.68 +/- 1.53   0.003% *  0.4021% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.00 +/- 1.94   0.001% *  0.2125% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 2 structures by 0.22 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.45, residual support = 29.7:
          QD    PHE   59 - QD1   LEU  115   2.95 +/- 0.79  99.964% * 98.7116% (0.95   4.45  29.65) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  14.17 +/- 2.03   0.026% *  0.3918% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.01 +/- 1.14   0.006% *  0.4527% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  17.63 +/- 1.28   0.005% *  0.4438% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.02, residual support = 4.19:
          QD    PHE   95 - QD2   LEU  115   5.06 +/- 0.86  99.237% * 75.7271% (0.84   0.02   4.20) =  99.754%  kept
          HN    ALA   47 - QD2   LEU  115  11.94 +/- 1.02   0.763% * 24.2729% (0.27   0.02   0.02) =   0.246%
    Distance limit 3.39 A violated in 16 structures by 1.70 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.894, support = 2.73, residual support = 29.7:
          QE    PHE   59 - QD2   LEU  115   3.17 +/- 0.78  67.239% * 83.2305% (0.89   2.94  29.65) =  91.561%  kept
          HN    PHE   59 - QD2   LEU  115   4.13 +/- 0.99  32.252% * 15.9886% (0.93   0.54  29.65) =   8.437%  kept
          HN    HIS  122 - QD2   LEU  115   7.66 +/- 0.41   0.394% *  0.2753% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QD2   LEU  115   9.38 +/- 1.02   0.115% *  0.2753% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  23.11 +/- 3.35   0.001% *  0.2304% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 14.5:
        T QD1   ILE  119 - HA    GLN  116   3.01 +/- 0.72  99.707% * 99.5742% (0.61 10.00   3.98  14.53) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  11.06 +/- 1.68   0.107% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.07 +/- 0.46   0.082% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.78 +/- 0.76   0.036% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  13.28 +/- 0.87   0.030% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.09 +/- 0.44   0.032% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.61 +/- 1.38   0.002% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.14 +/- 1.12   0.004% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 102.3:
          QD2   LEU  115 - HA    GLN  116   2.21 +/- 0.22  99.569% * 98.5632% (0.92   6.30 102.33) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   6.43 +/- 0.82   0.239% *  0.3320% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLN  116   6.63 +/- 0.95   0.187% *  0.1519% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  12.48 +/- 1.07   0.004% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.01 +/- 0.58   0.001% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  22.32 +/- 2.64   0.000% *  0.3038% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  22.33 +/- 3.46   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.34, residual support = 14.5:
          HN    ILE  119 - HA    GLN  116   3.42 +/- 0.23  99.997% * 96.9688% (0.57   2.34  14.53) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.05 +/- 0.76   0.002% *  1.4130% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  25.79 +/- 2.30   0.001% *  0.4994% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.00 +/- 0.85   0.000% *  0.8289% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.19 +/- 1.16   0.001% *  0.2898% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.0, residual support = 123.4:
      O   HN    GLN  116 - HA    GLN  116   2.78 +/- 0.06  94.492% * 89.7832% (0.98  10.0   7.02 124.16) =  99.411%  kept
          HN    THR  118 - HA    GLN  116   4.64 +/- 0.40   4.999% * 10.0474% (0.80   1.0   2.74   0.02) =   0.589%  kept
          HN    GLU- 114 - HA    GLN  116   6.92 +/- 0.19   0.400% *  0.0765% (0.84   1.0   0.02   0.31) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.78 +/- 0.67   0.108% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.99 +/- 0.90   0.001% *  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 = 0.486, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.34 +/- 0.45  99.235% * 66.5564% (0.49  1.00   0.75   1.50) =  99.942%  kept
          HA    ILE   56 - HB2   GLN  116   8.88 +/- 1.03   0.604% *  3.5189% (0.97  1.00   0.02   0.02) =   0.032%
        T HA    PRO   58 - HB2   GLN  116  11.57 +/- 1.20   0.102% * 14.9903% (0.41 10.00   0.02   0.02) =   0.023%
          HA    LEU  123 - HB2   GLN  116  12.52 +/- 0.70   0.052% *  3.6382% (1.00  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   GLN  116  20.43 +/- 0.83   0.003% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.54 +/- 0.73   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  24.12 +/- 1.25   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.51 +/- 1.02   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.77 +/- 1.27   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 102.3:
          QD2   LEU  115 - HB2   GLN  116   3.37 +/- 0.64  99.040% * 97.5355% (0.45   7.02 102.33) =  99.995%  kept
          QD1   LEU   63 - HB2   GLN  116   8.53 +/- 0.85   0.503% *  0.4960% (0.80   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   GLN  116   8.98 +/- 0.93   0.402% *  0.5718% (0.92   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN  116  14.27 +/- 1.06   0.032% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  18.84 +/- 0.58   0.005% *  0.4960% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.46 +/- 1.07   0.009% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.69 +/- 0.55   0.005% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  23.38 +/- 2.62   0.002% *  0.2546% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  24.16 +/- 2.94   0.001% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 102.3:
          QD2   LEU  115 - HG2   GLN  116   2.71 +/- 0.80  99.341% * 98.7963% (1.00   7.00 102.33) =  99.999%  kept
          QD1   LEU   63 - HG2   GLN  116   7.71 +/- 0.93   0.374% *  0.2358% (0.84   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG2   GLN  116   8.04 +/- 0.98   0.265% *  0.0704% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  14.08 +/- 1.02   0.015% *  0.2532% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.23 +/- 0.68   0.003% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  22.88 +/- 2.39   0.001% *  0.2817% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.87 +/- 3.41   0.002% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.44, residual support = 124.2:
      O   HE21  GLN  116 - HG2   GLN  116   2.74 +/- 0.65  96.841% * 99.6673% (0.65  10.0   4.44 124.16) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.85 +/- 0.75   3.073% *  0.0428% (0.28   1.0   0.02   0.21) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.58 +/- 1.54   0.085% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  26.86 +/- 2.35   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.41 +/- 1.19   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.46, residual support = 124.1:
          HN    GLN  116 - HG2   GLN  116   3.24 +/- 0.43  95.571% * 99.1114% (0.80   7.46 124.16) =  99.988%  kept
          HN    THR  118 - HG2   GLN  116   6.30 +/- 0.77   2.777% *  0.3254% (0.98   0.02   0.02) =   0.010%
          HN    GLU- 114 - HG2   GLN  116   6.93 +/- 0.97   1.307% *  0.1132% (0.34   0.02   0.31) =   0.002%
          HN    PHE   60 - HG2   GLN  116   9.33 +/- 1.27   0.344% *  0.3254% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  24.00 +/- 1.76   0.001% *  0.1246% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.59, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.24 +/- 0.88  36.063% * 15.3326% (0.76   0.02   0.02) =  54.657%  kept
          QD    PHE   55 - HB2   GLN  116   8.31 +/- 1.40  62.104% *  6.8436% (0.34   0.02   0.02) =  42.012%  kept
          HN    LEU   67 - HB2   GLN  116  16.24 +/- 1.26   1.449% * 20.0629% (1.00   0.02   0.02) =   2.873%  kept
          HD1   TRP   49 - HB2   GLN  116  23.12 +/- 2.50   0.141% * 16.7579% (0.84   0.02   0.02) =   0.233%
          HN    THR   23 - HB2   GLN  116  26.26 +/- 1.20   0.066% * 16.0651% (0.80   0.02   0.02) =   0.104%
          HE3   TRP   27 - HB2   GLN  116  23.84 +/- 0.84   0.121% *  5.5782% (0.28   0.02   0.02) =   0.067%
          HD2   HIS   22 - HB2   GLN  116  30.21 +/- 0.92   0.029% * 13.7814% (0.69   0.02   0.02) =   0.039%
          HD21  ASN   35 - HB2   GLN  116  30.88 +/- 1.14   0.028% *  5.5782% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.72 A violated in 19 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 124.2:
      O   HN    GLN  116 - HB2   GLN  116   2.13 +/- 0.08  99.225% * 99.7303% (0.98  10.0   7.63 124.16) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.36 +/- 0.33   0.434% *  0.0850% (0.84   1.0   0.02   0.31) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.66 +/- 0.41   0.333% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.60 +/- 0.77   0.007% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.71 +/- 0.83   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 = 4.94, residual support = 28.5:
          HN    SER  117 - HB2   GLN  116   3.28 +/- 0.33  99.998% * 99.5646% (0.98   4.94  28.53) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.88 +/- 1.27   0.001% *  0.3438% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  30.22 +/- 2.87   0.000% *  0.0916% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.94, residual support = 28.5:
      O   HN    SER  117 - HA    GLN  116   3.55 +/- 0.05  99.995% * 99.8922% (0.98  10.0   4.94  28.53) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.14 +/- 1.23   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  29.29 +/- 2.73   0.000% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 2.04, residual support = 5.49:
        T QB    ALA  120 - HA    SER  117   3.21 +/- 0.39  88.575% * 98.3229% (0.92 10.00   2.05   5.49) =  99.884%  kept
          HD2   LYS+ 121 - HA    SER  117   5.40 +/- 1.52  10.364% *  0.9646% (0.18  1.00   1.03   0.02) =   0.115%
          HG    LEU  115 - HA    SER  117   7.86 +/- 0.76   0.611% *  0.0983% (0.92  1.00   0.02   2.06) =   0.001%
          HB3   LEU  115 - HA    SER  117   8.14 +/- 0.30   0.421% *  0.0400% (0.38  1.00   0.02   2.06) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.93 +/- 1.15   0.006% *  0.1065% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    SER  117  15.81 +/- 2.31   0.009% *  0.0518% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.61 +/- 1.06   0.009% *  0.0400% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.87 +/- 0.62   0.001% *  0.2961% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.80 +/- 1.38   0.004% *  0.0237% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  22.09 +/- 0.95   0.001% *  0.0560% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.47, support = 1.45, residual support = 17.5:
          HE21  GLN  116 - HA    SER  117   5.83 +/- 1.40  14.322% * 84.6540% (0.65   2.10  28.53) =  52.123%  kept
          HN    ALA  120 - HA    SER  117   3.65 +/- 0.23  85.661% * 13.0001% (0.28   0.75   5.49) =  47.876%  kept
          HN    ALA   57 - HA    SER  117  15.27 +/- 0.86   0.017% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  29.27 +/- 1.97   0.000% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.54 +/- 1.43   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.59, residual support = 16.3:
      O   HN    SER  117 - HA    SER  117   2.78 +/- 0.04  99.999% * 99.9049% (0.57  10.0   3.59  16.28) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.87 +/- 1.14   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.65 +/- 0.67   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.196, support = 0.0197, residual support = 0.0197:
          HN    LYS+  81 - QB    SER   85   6.73 +/- 0.46  56.104% *  3.4992% (0.12   0.02   0.02) =  43.722%  kept
          HN    LYS+  81 - QB    SER   48   9.62 +/- 2.65  16.148% *  5.8981% (0.20   0.02   0.02) =  21.211%  kept
          QD    PHE   55 - QB    SER  117  10.63 +/- 0.90   4.148% * 14.4446% (0.49   0.02   0.02) =  13.344%  kept
          QE    PHE   95 - QB    SER  117   9.10 +/- 0.72  10.018% *  4.5788% (0.15   0.02   0.02) =  10.216%  kept
          QD    PHE   60 - QB    SER   48  10.82 +/- 1.81   6.604% *  3.1728% (0.11   0.02   0.02) =   4.666%  kept
          QD    PHE   60 - QB    SER  117  12.56 +/- 0.72   1.378% * 12.2000% (0.41   0.02   0.02) =   3.744%  kept
          QD    PHE   55 - QB    SER   48  12.75 +/- 0.97   1.316% *  3.7566% (0.13   0.02   0.02) =   1.101%  kept
          QE    PHE   95 - QB    SER   48  11.56 +/- 1.46   2.646% *  1.1908% (0.04   0.02   0.02) =   0.702%  kept
          HE3   TRP   27 - QB    SER   48  15.56 +/- 1.38   0.429% *  4.3694% (0.15   0.02   0.02) =   0.417%
          HE3   TRP   27 - QB    SER   85  16.02 +/- 3.77   0.679% *  2.5923% (0.09   0.02   0.02) =   0.392%
          HE3   TRP   27 - QB    SER  117  20.21 +/- 1.28   0.076% * 16.8009% (0.57   0.02   0.02) =   0.285%
          HN    LYS+  81 - QB    SER  117  26.93 +/- 2.13   0.015% * 22.6789% (0.76   0.02   0.02) =   0.073%
          QD    PHE   60 - QB    SER   85  18.52 +/- 1.27   0.134% *  1.8824% (0.06   0.02   0.02) =   0.056%
          QE    PHE   95 - QB    SER   85  17.53 +/- 2.04   0.241% *  0.7065% (0.02   0.02   0.02) =   0.038%
          QD    PHE   55 - QB    SER   85  20.88 +/- 1.59   0.065% *  2.2287% (0.08   0.02   0.02) =   0.032%
    Distance limit 3.79 A violated in 20 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.46, residual support = 36.2:
      O T QG2   THR  118 - HB    THR  118   2.17 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.46  36.18) = 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 = 0.98, support = 1.5, residual support = 5.87:
          QG1   VAL  107 - HB    THR  118   1.75 +/- 0.11  99.844% * 96.8315% (0.98   1.50   5.87) = 100.000%  kept
          HG13  ILE  119 - HB    THR  118   5.37 +/- 0.28   0.153% *  0.2932% (0.22   0.02  31.68) =   0.000%
          HD3   LYS+ 112 - HB    THR  118  11.24 +/- 1.29   0.003% *  1.1002% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  17.47 +/- 1.43   0.000% *  1.2159% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  16.79 +/- 1.28   0.000% *  0.2307% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.88 +/- 1.54   0.000% *  0.3284% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.469, support = 1.69, residual support = 5.07:
          QE    PHE   59 - HB    THR  118   3.49 +/- 0.60  97.023% * 37.4965% (0.45   1.71   5.13) =  95.633%  kept
          HN    HIS  122 - HB    THR  118   6.78 +/- 0.29   2.727% * 60.8382% (0.92   1.35   3.84) =   4.361%  kept
          HN    PHE   59 - HB    THR  118   9.81 +/- 0.64   0.248% *  0.8169% (0.84   0.02   5.13) =   0.005%
          HH2   TRP   87 - HB    THR  118  26.30 +/- 4.46   0.002% *  0.8484% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 36.2:
      O   HN    THR  118 - HB    THR  118   2.27 +/- 0.13  99.208% * 99.7459% (0.98  10.0   3.70  36.18) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.58 +/- 0.49   0.585% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB    THR  118   7.05 +/- 0.90   0.187% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.61 +/- 0.58   0.020% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.98 +/- 1.23   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.46, residual support = 36.2:
      O T QG2   THR  118 - HA    THR  118   2.50 +/- 0.11 100.000% *100.0000% (0.14  10.0 10.00   3.46  36.18) = 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 = 0.861, support = 0.0199, residual support = 31.5:
        T QG2   ILE  119 - HA    THR  118   5.96 +/- 0.07  84.679% * 82.9340% (0.87 10.00   0.02  31.68) =  99.435%  kept
          QD1   ILE  103 - HA    THR  118  10.86 +/- 0.90   2.775% *  7.1780% (0.75  1.00   0.02   0.02) =   0.282%
          QG2   ILE  103 - HA    THR  118   8.30 +/- 0.46  12.245% *  1.5050% (0.16  1.00   0.02   0.02) =   0.261%
          QD2   LEU   71 - HA    THR  118  16.16 +/- 0.78   0.223% *  6.2402% (0.65  1.00   0.02   0.02) =   0.020%
          HG3   LYS+  74 - HA    THR  118  19.32 +/- 0.95   0.077% *  2.1428% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.14 A violated in 20 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.788, support = 1.91, residual support = 9.32:
          QG1   VAL  107 - HA    THR  118   3.94 +/- 0.09  95.047% * 24.6419% (0.88  1.00   1.50   5.87) =  86.634%  kept
        T HG13  ILE  119 - HA    THR  118   6.50 +/- 0.21   4.842% * 74.6264% (0.20 10.00   4.54  31.68) =  13.365%  kept
          HD3   LYS+ 112 - HA    THR  118  13.11 +/- 1.23   0.088% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  19.00 +/- 1.48   0.008% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  18.11 +/- 1.37   0.011% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  21.25 +/- 1.60   0.004% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.49 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.631, support = 2.8, residual support = 9.38:
          HD2   LYS+ 121 - HA    THR  118   2.67 +/- 0.94  74.462% * 34.6653% (0.89  1.00   2.72   9.38) =  61.287%  kept
        T HB3   LYS+ 121 - HA    THR  118   3.76 +/- 0.55  25.392% * 64.2134% (0.22 10.00   2.93   9.38) =  38.713%  kept
          QD    LYS+  66 - HA    THR  118  11.89 +/- 2.01   0.024% *  0.1870% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118   9.85 +/- 1.02   0.050% *  0.0642% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.02 +/- 1.41   0.061% *  0.0451% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.00 +/- 1.12   0.008% *  0.0573% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.70 +/- 1.13   0.002% *  0.2575% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  19.37 +/- 1.06   0.001% *  0.2151% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.77 +/- 0.82   0.000% *  0.2552% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  18.32 +/- 1.08   0.001% *  0.0397% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.683, support = 0.0199, residual support = 31.6:
        T HB    ILE  119 - HA    THR  118   5.53 +/- 0.09  96.866% * 57.0728% (0.69 10.00   0.02  31.68) =  99.675%  kept
          HB    VAL  108 - HA    THR  118  10.99 +/- 0.51   1.651% *  7.0645% (0.85  1.00   0.02   0.02) =   0.210%
          HB2   PRO   93 - HA    THR  118  14.50 +/- 1.98   0.639% *  7.0645% (0.85  1.00   0.02   0.02) =   0.081%
          HG2   PRO   58 - HA    THR  118  13.50 +/- 0.82   0.489% *  1.3079% (0.16  1.00   0.02   0.02) =   0.012%
          HB3   GLU- 100 - HA    THR  118  18.17 +/- 1.18   0.083% *  5.1298% (0.62  1.00   0.02   0.02) =   0.008%
          HB2   ARG+  54 - HA    THR  118  20.05 +/- 0.76   0.044% *  7.3202% (0.88  1.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - HA    THR  118  21.53 +/- 1.14   0.029% *  5.7073% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HA    THR  118  18.00 +/- 1.63   0.102% *  1.1523% (0.14  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    THR  118  19.04 +/- 1.55   0.067% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    THR  118  23.27 +/- 1.20   0.018% *  3.3482% (0.40  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    THR  118  25.79 +/- 1.31   0.010% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.71 +/- 2.33   0.002% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 20 structures by 1.75 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 31.6:
        T HG12  ILE  119 - HA    THR  118   5.46 +/- 0.18  99.326% * 44.9828% (0.40 10.00   0.02  31.68) =  99.863%  kept
          HB2   ASP-  44 - HA    THR  118  14.30 +/- 0.88   0.329% *  9.4912% (0.85  1.00   0.02   0.02) =   0.070%
          HB3   PHE   72 - HA    THR  118  15.19 +/- 0.96   0.242% *  8.7032% (0.78  1.00   0.02   0.02) =   0.047%
          QG    GLU-  15 - HA    THR  118  19.30 +/- 1.24   0.057% *  9.9446% (0.89  1.00   0.02   0.02) =   0.013%
          QG    GLU-  14 - HA    THR  118  23.68 +/- 1.40   0.016% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - HA    THR  118  23.30 +/- 1.11   0.017% *  8.0341% (0.72  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  30.37 +/- 1.65   0.004% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.56 +/- 1.13   0.008% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 20 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.2:
      O T HB    THR  118 - HA    THR  118   3.05 +/- 0.03  99.952% * 99.8099% (0.72  10.0 10.00   3.00  36.18) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  11.16 +/- 0.60   0.045% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.70 +/- 1.29   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.48 +/- 1.13   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  23.76 +/- 1.85   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.86 +/- 1.17   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 0.15 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.843, support = 0.0199, residual support = 5.1:
          QD    PHE   59 - HA    THR  118   7.26 +/- 0.45  99.357% * 25.6201% (0.85   0.02   5.13) =  99.361%  kept
          HE21  GLN   30 - HA    THR  118  19.68 +/- 1.24   0.288% * 26.1376% (0.87   0.02   0.02) =   0.293%
          HD1   TRP   27 - HA    THR  118  19.88 +/- 1.19   0.266% * 25.6201% (0.85   0.02   0.02) =   0.266%
          HH2   TRP   49 - HA    THR  118  23.79 +/- 1.37   0.089% * 22.6222% (0.75   0.02   0.02) =   0.079%
    Distance limit 3.44 A violated in 20 structures by 3.82 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.90 +/- 0.20  99.876% * 43.4534% (0.47   0.02   0.02) =  99.920%  kept
          HZ2   TRP   49 - HA    THR  118  23.95 +/- 1.26   0.060% * 40.2018% (0.44   0.02   0.02) =   0.056%
          HE21  GLN   17 - HA    THR  118  23.81 +/- 1.30   0.063% * 16.3448% (0.18   0.02   0.02) =   0.024%
    Distance limit 3.82 A violated in 20 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.27, residual support = 31.7:
      O   HN    ILE  119 - HA    THR  118   3.41 +/- 0.08  99.995% * 99.6357% (0.51  10.0   5.27  31.68) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.44 +/- 0.87   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.74 +/- 1.17   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.44 +/- 1.18   0.001% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  25.84 +/- 2.13   0.001% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.71, residual support = 36.2:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.05  99.556% * 99.6520% (0.51  10.0   3.71  36.18) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   7.11 +/- 0.29   0.425% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.94 +/- 0.42   0.019% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.63 +/- 1.16   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 = 0.379, support = 3.05, residual support = 36.1:
      O T HA    THR  118 - HB    THR  118   3.05 +/- 0.03  92.578% * 73.7315% (0.38  10.0 10.00   3.00  36.18) =  97.298%  kept
          HA    ILE  119 - HB    THR  118   4.68 +/- 0.19   7.333% * 25.8498% (0.53   1.0  1.00   5.00  31.68) =   2.702%  kept
          HD3   PRO   58 - HB    THR  118  11.42 +/- 0.66   0.036% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  10.89 +/- 0.73   0.049% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.77 +/- 1.07   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  22.72 +/- 0.92   0.001% *  0.0881% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  23.55 +/- 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 0.22 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.509, support = 2.99, residual support = 6.27:
          QG1   VAL  107 - QG2   THR  118   2.11 +/- 0.41  99.251% * 31.8351% (0.51   2.96   5.87) =  98.465%  kept
          HG13  ILE  119 - QG2   THR  118   5.05 +/- 0.51   0.734% * 67.0959% (0.62   5.14  31.68) =   1.534%  kept
          HD3   LYS+ 112 - QG2   THR  118  11.22 +/- 1.02   0.009% *  0.3670% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  13.75 +/- 1.18   0.003% *  0.3411% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.65 +/- 1.30   0.002% *  0.2762% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.72 +/- 0.66   0.002% *  0.0847% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.252, support = 1.5, residual support = 5.56:
        T HB3   ASP- 105 - QG2   THR  118   2.68 +/- 0.40  95.499% * 79.8203% (0.25 10.00   1.50   5.60) =  99.021%  kept
          QB    LYS+ 106 - QG2   THR  118   4.83 +/- 0.36   4.255% * 17.6982% (0.51  1.00   1.63   2.39) =   0.978%  kept
          HB    ILE   56 - QG2   THR  118   9.57 +/- 1.06   0.098% *  0.3621% (0.85  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118   8.84 +/- 0.43   0.093% *  0.0852% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   THR  118  12.07 +/- 0.64   0.017% *  0.2629% (0.62  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   THR  118  12.96 +/- 0.72   0.011% *  0.3320% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.23 +/- 1.20   0.004% *  0.3819% (0.89  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.39 +/- 0.95   0.003% *  0.3694% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  13.36 +/- 1.52   0.013% *  0.0758% (0.18  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.96 +/- 0.97   0.003% *  0.1437% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.84 +/- 0.98   0.003% *  0.0954% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  18.99 +/- 0.57   0.001% *  0.1716% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  20.88 +/- 1.87   0.001% *  0.2014% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.514, support = 1.58, residual support = 6.17:
        T HB2   ASP- 105 - QG2   THR  118   2.22 +/- 0.51  96.028% * 63.7958% (0.51 10.00   1.50   5.60) =  97.804%  kept
          HG12  ILE  119 - QG2   THR  118   4.12 +/- 0.50   3.873% * 35.5071% (0.80  1.00   5.27  31.68) =   2.196%  kept
          HB2   ASP-  44 - QG2   THR  118   9.59 +/- 0.83   0.059% *  0.0564% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.54 +/- 0.93   0.027% *  0.0731% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.88 +/- 1.03   0.004% *  0.1387% (0.83  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  13.75 +/- 0.78   0.003% *  0.0418% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.95 +/- 1.16   0.003% *  0.0418% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  17.65 +/- 0.84   0.001% *  0.0851% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.81 +/- 0.96   0.000% *  0.1473% (0.88  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.78 +/- 0.99   0.001% *  0.0512% (0.31  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.32 +/- 1.41   0.001% *  0.0618% (0.37  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.352, support = 3.59, residual support = 35.7:
      O T HA    THR  118 - QG2   THR  118   2.50 +/- 0.11  91.498% * 41.5367% (0.34  10.0 10.00   3.46  36.18) =  88.530%  kept
        T HA    ILE  119 - QG2   THR  118   3.81 +/- 0.19   8.456% * 58.2274% (0.47   1.0 10.00   4.57  31.68) =  11.470%  kept
          HD3   PRO   58 - QG2   THR  118  10.62 +/- 0.55   0.017% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.09 +/- 0.80   0.026% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  15.12 +/- 0.87   0.002% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  19.76 +/- 0.70   0.000% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  19.64 +/- 1.74   0.000% *  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 = 3.46, residual support = 36.2:
      O T HB    THR  118 - QG2   THR  118   2.17 +/- 0.01  99.935% * 99.8099% (0.72  10.0 10.00   3.46  36.18) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   7.57 +/- 0.65   0.063% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.13 +/- 1.17   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.31 +/- 0.96   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  17.73 +/- 1.50   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.53 +/- 1.11   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 = 1.33, residual support = 3.84:
          HD2   HIS  122 - QG2   THR  118   3.25 +/- 0.09  99.588% * 97.3826% (0.90   1.33   3.84) =  99.995%  kept
          HE22  GLN  116 - QG2   THR  118   9.05 +/- 0.63   0.239% *  1.4637% (0.89   0.02   0.02) =   0.004%
          QD    PHE   45 - QG2   THR  118   9.72 +/- 0.95   0.169% *  0.5506% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  17.90 +/- 1.57   0.004% *  0.6031% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0199, residual support = 5.09:
          QD    PHE   59 - QG2   THR  118   5.18 +/- 0.56  99.307% * 25.6201% (0.85   0.02   5.13) =  99.308%  kept
          HE21  GLN   30 - QG2   THR  118  14.22 +/- 1.09   0.323% * 26.1376% (0.87   0.02   0.02) =   0.329%
          HD1   TRP   27 - QG2   THR  118  14.23 +/- 0.99   0.306% * 25.6201% (0.85   0.02   0.02) =   0.306%
          HH2   TRP   49 - QG2   THR  118  18.10 +/- 1.10   0.065% * 22.6222% (0.75   0.02   0.02) =   0.057%
    Distance limit 3.41 A violated in 18 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.57, residual support = 31.7:
        T QG2   THR  118 - HA    ILE  119   3.81 +/- 0.19 100.000% *100.0000% (0.57 10.00   4.57  31.68) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.507, support = 4.0, residual support = 35.6:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.01  46.112% * 58.1999% (0.45   4.91  55.06) =  62.626%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.21 +/- 0.60  40.184% * 39.7885% (0.61   2.48   2.88) =  37.311%  kept
          HG    LEU  115 - HA    ILE  119   7.36 +/- 0.83   6.661% *  0.2373% (0.45   0.02   8.42) =   0.037%
          QD    LYS+  66 - HA    ILE  119   8.11 +/- 1.99   6.364% *  0.1320% (0.25   0.02   0.02) =   0.020%
          HB3   LEU   40 - HA    ILE  119  11.64 +/- 1.04   0.367% *  0.3636% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HA    ILE  119  12.37 +/- 1.16   0.261% *  0.3636% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.80 +/- 0.99   0.036% *  0.5108% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ILE  119  19.32 +/- 0.64   0.015% *  0.4045% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 4 structures by 0.70 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 16.3:
          QD    PHE   59 - HA    ILE  119   4.66 +/- 0.44  99.929% * 25.6201% (0.95   0.02  16.34) =  99.929%  kept
          HE21  GLN   30 - HA    ILE  119  17.85 +/- 1.24   0.039% * 26.1376% (0.97   0.02   0.02) =   0.040%
          HD1   TRP   27 - HA    ILE  119  19.09 +/- 1.06   0.024% * 25.6201% (0.95   0.02   0.02) =   0.024%
          HH2   TRP   49 - HA    ILE  119  23.12 +/- 1.39   0.008% * 22.6222% (0.84   0.02   0.02) =   0.007%
    Distance limit 3.22 A violated in 17 structures by 1.43 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.75, residual support = 251.1:
      O   HN    ILE  119 - HA    ILE  119   2.87 +/- 0.02  99.998% * 99.7485% (0.98  10.0   8.75 251.10) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.33 +/- 0.71   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.55 +/- 1.35   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  25.81 +/- 2.05   0.000% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.77 +/- 1.10   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.216, support = 5.76, residual support = 51.5:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  86.562% * 65.6647% (0.18  10.0   6.00  55.06) =  93.462%  kept
          HN    LEU  123 - HA    ILE  119   5.19 +/- 0.50  11.818% * 33.5928% (0.80   1.0   2.24   0.13) =   6.528%  kept
          HN    ALA  124 - HA    ILE  119   7.11 +/- 0.47   1.616% *  0.3675% (0.98   1.0   0.02   0.02) =   0.010%
          HE21  GLN   17 - HA    ILE  119  20.03 +/- 1.42   0.003% *  0.3749% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 2.78, residual support = 14.5:
          HA    GLN  116 - HB    ILE  119   2.34 +/- 0.58  99.992% * 96.8691% (0.84   2.78  14.53) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.82 +/- 1.20   0.002% *  0.6959% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.13 +/- 0.91   0.002% *  0.3794% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.16 +/- 1.33   0.002% *  0.2226% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.76 +/- 1.43   0.000% *  0.4665% (0.56   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  21.58 +/- 1.93   0.001% *  0.1113% (0.13   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.38 +/- 1.28   0.000% *  0.5237% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.89 +/- 1.05   0.000% *  0.4083% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  30.41 +/- 3.55   0.000% *  0.3233% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.523, support = 4.98, residual support = 54.7:
          HN    ALA  120 - HB    ILE  119   2.73 +/- 0.13  85.143% * 93.3753% (0.53   5.03  55.06) =  99.045%  kept
          HE21  GLN  116 - HB    ILE  119   4.57 +/- 1.46  14.158% *  5.4030% (0.22   0.71  14.53) =   0.953%  kept
          HN    ALA  124 - HB    ILE  119   7.61 +/- 0.52   0.199% *  0.4906% (0.69   0.02   0.02) =   0.001%
          HN    LEU  123 - HB    ILE  119   6.59 +/- 0.46   0.483% *  0.1891% (0.27   0.02   0.13) =   0.001%
          HN    ALA   57 - HB    ILE  119  11.67 +/- 0.74   0.017% *  0.1212% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  21.51 +/- 1.68   0.000% *  0.4208% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.56, residual support = 251.1:
      O   HN    ILE  119 - HB    ILE  119   2.17 +/- 0.08 100.000% * 99.7485% (0.85  10.0   7.56 251.10) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.13 +/- 0.87   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.34 +/- 1.40   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  26.18 +/- 1.81   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.41 +/- 1.13   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 = 55.1:
          HA    ALA  120 - QG2   ILE  119   3.13 +/- 0.22  98.429% * 94.9058% (0.57   3.85  55.06) =  99.996%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.43 +/- 0.17   1.364% *  0.1724% (0.20   0.02   2.88) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.69 +/- 0.90   0.140% *  0.8241% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   ILE  119  12.81 +/- 1.11   0.026% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.83 +/- 0.82   0.008% *  0.6658% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.81 +/- 0.67   0.017% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.56 +/- 1.63   0.005% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.27 +/- 1.69   0.004% *  0.2689% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.66 +/- 0.79   0.006% *  0.1344% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  23.87 +/- 2.00   0.001% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  22.29 +/- 1.22   0.001% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  24.48 +/- 1.21   0.001% *  0.4583% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 5.57, residual support = 54.0:
          HN    ALA  120 - QG2   ILE  119   2.88 +/- 0.32  69.139% * 79.5561% (0.61   5.63  55.06) =  98.010%  kept
          HN    LEU  123 - QG2   ILE  119   4.59 +/- 0.51   5.541% * 19.5431% (0.31   2.72   0.13) =   1.930%  kept
          HE21  GLN  116 - QG2   ILE  119   4.28 +/- 1.50  23.526% *  0.1161% (0.25   0.02  14.53) =   0.049%
          HN    ALA  124 - QG2   ILE  119   5.52 +/- 0.50   1.706% *  0.3728% (0.80   0.02   0.02) =   0.011%
          HN    ALA   57 - QG2   ILE  119   9.84 +/- 0.69   0.086% *  0.0921% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  16.64 +/- 1.51   0.002% *  0.3198% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.9, residual support = 251.1:
          HN    ILE  119 - QG2   ILE  119   3.56 +/- 0.09  99.986% * 99.2765% (0.80   7.90 251.10) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  19.65 +/- 1.43   0.004% *  0.3133% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  17.26 +/- 0.99   0.008% *  0.1071% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  22.76 +/- 1.58   0.002% *  0.3031% (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 = 0.859, support = 1.87, residual support = 7.5:
          QD2   LEU  115 - HG12  ILE  119   2.81 +/- 0.82  67.508% * 76.6274% (0.90   2.00   8.42) =  88.605%  kept
          QD1   LEU   63 - HG12  ILE  119   3.62 +/- 1.08  32.459% * 20.4940% (0.57   0.85   0.30) =  11.394%  kept
          QD1   LEU  104 - HG12  ILE  119  10.40 +/- 1.22   0.027% *  0.8543% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  14.19 +/- 0.64   0.003% *  0.4836% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  20.29 +/- 2.78   0.001% *  0.7886% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  20.35 +/- 3.14   0.001% *  0.6203% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  17.00 +/- 1.73   0.001% *  0.1318% (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 = 0.844, support = 1.82, residual support = 7.12:
          QD2   LEU  115 - HG13  ILE  119   3.15 +/- 1.10  55.757% * 78.2738% (0.90   2.02   8.42) =  83.990%  kept
          QD1   LEU   63 - HG13  ILE  119   3.61 +/- 1.34  44.201% * 18.8209% (0.57   0.77   0.30) =  16.010%  kept
          QD1   LEU  104 - HG13  ILE  119  10.70 +/- 1.34   0.033% *  0.8622% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  14.31 +/- 1.22   0.005% *  0.4881% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  20.48 +/- 2.73   0.001% *  0.7959% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  20.70 +/- 3.11   0.001% *  0.6261% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  17.43 +/- 1.80   0.002% *  0.1330% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   9.56 +/- 1.57 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 5.99 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 16.3:
          QD    PHE   59 - HG13  ILE  119   2.91 +/- 0.53  99.992% * 97.8231% (0.95   2.61  16.34) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  18.08 +/- 1.98   0.005% *  0.7650% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  19.40 +/- 1.63   0.002% *  0.7498% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  21.30 +/- 1.56   0.001% *  0.6621% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.98, residual support = 251.1:
          HN    ILE  119 - HG13  ILE  119   3.80 +/- 0.29  99.986% * 99.1820% (0.80   6.98 251.10) = 100.000%  kept
          HN    SER   37 - HG13  ILE  119  22.85 +/- 1.97   0.003% *  0.3543% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  18.78 +/- 1.38   0.009% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG13  ILE  119  24.57 +/- 1.95   0.002% *  0.3427% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.96, residual support = 16.3:
          QD    PHE   59 - HG12  ILE  119   2.66 +/- 0.55  99.996% * 98.6959% (0.84   2.96  16.34) = 100.000%  kept
          HD1   TRP   27 - HG12  ILE  119  19.27 +/- 1.05   0.001% *  0.6680% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  18.21 +/- 1.32   0.002% *  0.3893% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  20.90 +/- 1.49   0.001% *  0.2468% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.43, residual support = 251.1:
          HN    ILE  119 - HG12  ILE  119   2.87 +/- 0.27  99.998% * 99.2310% (0.80   7.43 251.10) = 100.000%  kept
          HN    CYS   21 - HG12  ILE  119  18.91 +/- 0.70   0.001% *  0.1139% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  22.93 +/- 1.37   0.000% *  0.3330% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG12  ILE  119  23.99 +/- 1.86   0.000% *  0.3221% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.40 +/- 0.94 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 5.36 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.337, support = 3.6, residual support = 6.48:
          QD2   LEU  115 - QD1   ILE  119   2.24 +/- 0.68  70.825% * 53.2563% (0.40  1.00   4.45   8.42) =  76.075%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.16 +/- 1.23  29.160% * 40.6774% (0.15 10.00   0.91   0.30) =  23.924%  kept
        T QD1   LEU  104 - QD1   ILE  119   9.81 +/- 1.18   0.010% *  3.9974% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  12.23 +/- 0.72   0.002% *  0.8979% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  14.41 +/- 1.46   0.001% *  0.3295% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  17.19 +/- 2.38   0.001% *  0.5807% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  16.91 +/- 2.10   0.001% *  0.2609% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.98, residual support = 14.5:
        T HA    GLN  116 - QD1   ILE  119   3.01 +/- 0.72  99.800% * 99.4587% (0.51 10.00   3.98  14.53) = 100.000%  kept
          HA1   GLY   16 - QD1   ILE  119  11.73 +/- 1.25   0.066% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  12.32 +/- 1.12   0.051% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.41 +/- 0.90   0.075% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  18.24 +/- 1.43   0.004% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.07 +/- 1.27   0.002% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.06 +/- 0.99   0.001% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.87, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.26 +/- 1.28  62.945% * 81.6578% (0.96 10.00   0.02   0.02) =  88.321%  kept
        T QD    PHE   72 - QD1   ILE  119   7.93 +/- 0.93  37.055% * 18.3422% (0.21 10.00   0.02   0.02) =  11.679%  kept
    Distance limit 3.27 A violated in 20 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.47 +/- 1.00  69.446% * 23.3518% (0.47   0.02   0.02) =  64.309%  kept
          QE    PHE   72 - QD1   ILE  119   6.54 +/- 1.03  29.960% * 29.0981% (0.59   0.02   0.02) =  34.571%  kept
          HN    ALA   47 - QD1   ILE  119  12.70 +/- 0.86   0.594% * 47.5501% (0.96   0.02   0.02) =   1.120%  kept
    Distance limit 3.32 A violated in 19 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.854, support = 1.41, residual support = 13.4:
          HN    HIS  122 - QD1   ILE  119   6.07 +/- 0.81  19.054% * 98.0516% (0.87   1.44  13.36) =  97.812%  kept
          HN    PHE   59 - QD1   ILE  119   4.35 +/- 0.56  80.942% *  0.5164% (0.33   0.02  16.34) =   2.188%  kept
          HH2   TRP   87 - QD1   ILE  119  23.66 +/- 3.11   0.004% *  1.4320% (0.91   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 2 structures by 0.65 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.98, residual support = 251.1:
          HN    ILE  119 - QD1   ILE  119   3.90 +/- 0.26  99.955% * 99.2823% (0.95   6.98 251.10) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.67 +/- 0.80   0.026% *  0.2425% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  19.69 +/- 1.35   0.007% *  0.1878% (0.62   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  20.36 +/- 1.56   0.005% *  0.2425% (0.81   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.17 +/- 1.12   0.006% *  0.0448% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.29, residual support = 27.3:
        T QD1   LEU  123 - HA    ALA  120   2.84 +/- 0.69  99.783% * 99.1996% (0.45 10.00   5.29  27.31) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.99 +/- 1.08   0.094% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  10.64 +/- 1.66   0.058% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.08 +/- 1.15   0.048% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.90 +/- 1.13   0.006% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.39 +/- 0.61   0.007% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  17.32 +/- 1.24   0.003% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.594, support = 4.13, residual support = 14.3:
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.05  43.419% * 31.0286% (0.18  10.0   3.61  13.63) =  41.206%  kept
          HN    LEU  123 - HA    ALA  120   3.06 +/- 0.25  25.513% * 38.6969% (0.80   1.0   5.46  27.31) =  30.196%  kept
          HN    ALA  124 - HA    ALA  120   3.02 +/- 0.47  31.067% * 30.0973% (0.98   1.0   3.47   1.47) =  28.598%  kept
          HE21  GLN   17 - HA    ALA  120  22.73 +/- 1.88   0.000% *  0.1772% (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 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.38, residual support = 317.3:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.04  99.996% * 99.7700% (0.45  10.0   6.38 317.30) = 100.000%  kept
          HN    LYS+ 121 - HA    LYS+  65  15.44 +/- 0.81   0.003% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+ 121  28.48 +/- 1.29   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  25.14 +/- 1.41   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 = 2.93, residual support = 8.96:
          HA    THR  118 - HB2   LYS+ 121   2.52 +/- 0.24  96.211% * 36.3096% (0.87   2.83   9.38) =  93.613%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.52 +/- 0.23   3.787% * 62.9412% (0.97   4.41   2.88) =   6.387%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.65 +/- 1.02   0.002% *  0.1676% (0.57   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.85 +/- 1.09   0.000% *  0.0823% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  27.36 +/- 1.05   0.000% *  0.2732% (0.92   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  27.73 +/- 2.29   0.000% *  0.2262% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.94, residual support = 9.25:
        T HA    THR  118 - HB3   LYS+ 121   3.76 +/- 0.55  91.135% * 83.0248% (0.72 10.00   2.93   9.38) =  98.082%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.82 +/- 0.30   8.844% * 16.7329% (0.81  1.00   3.62   2.88) =   1.918%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.67 +/- 1.08   0.016% *  0.0542% (0.47  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  22.49 +/- 1.23   0.003% *  0.0266% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  28.46 +/- 2.44   0.001% *  0.0731% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  28.57 +/- 1.06   0.001% *  0.0884% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.44, residual support = 317.3:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.25 +/- 0.30 100.000% * 99.9582% (0.75  10.0   6.44 317.30) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  26.85 +/- 1.28   0.000% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.39, residual support = 52.8:
          HN    HIS  122 - HB3   LYS+ 121   3.61 +/- 0.43  99.968% * 99.5528% (0.75   6.39  52.82) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.31 +/- 0.56   0.031% *  0.1185% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  29.97 +/- 5.01   0.001% *  0.3287% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.43, residual support = 52.8:
          HN    HIS  122 - HB2   LYS+ 121   3.06 +/- 0.30  99.698% * 99.2402% (0.41   7.43  52.82) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.21 +/- 0.48   0.300% *  0.2217% (0.34   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   LYS+ 121  19.82 +/- 1.35   0.002% *  0.2217% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   LYS+ 121  29.66 +/- 4.80   0.000% *  0.3164% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.89, residual support = 317.3:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.14 +/- 0.12 100.000% * 99.9061% (0.92  10.0   6.89 317.30) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  25.76 +/- 1.27   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.395, support = 0.894, residual support = 3.92:
          QD2   LEU   67 - HB2   HIS  122   5.20 +/- 2.61  52.756% * 22.1937% (0.41   0.66   0.66) =  53.147%  kept
          QG2   ILE  119 - HB2   HIS  122   5.67 +/- 0.74   8.740% * 64.6749% (0.53   1.50  13.36) =  25.658%  kept
          QD1   LEU   40 - HB2   HIS  122   5.03 +/- 1.45  38.384% * 12.1636% (0.20   0.75   0.66) =  21.193%  kept
          QD2   LEU   71 - HB2   HIS  122  11.85 +/- 1.31   0.077% *  0.4087% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  12.59 +/- 1.54   0.043% *  0.5591% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   6.48 +/- 1.51  43.464% * 20.0916% (0.69   0.02   0.02) =  74.162%  kept
          QD1   LEU   63 - HB2   HIS  122   6.27 +/- 1.20  49.629% *  4.5130% (0.15   0.02   0.02) =  19.021%  kept
          QD2   LEU  115 - HB2   HIS  122   9.15 +/- 0.59   6.369% * 12.0248% (0.41   0.02   0.02) =   6.505%  kept
          QD1   LEU   73 - HB2   HIS  122  13.58 +/- 1.54   0.450% *  4.5130% (0.15   0.02   0.02) =   0.173%
          QG1   VAL   83 - HB2   HIS  122  22.92 +/- 3.49   0.023% * 29.1845% (1.00   0.02   0.02) =   0.057%
          QG2   ILE   89 - HB2   HIS  122  20.87 +/- 2.30   0.037% * 16.5597% (0.57   0.02   0.02) =   0.052%
          QD2   LEU   80 - HB2   HIS  122  22.51 +/- 3.69   0.028% * 13.1134% (0.45   0.02   0.02) =   0.031%
    Distance limit 4.03 A violated in 14 structures by 1.40 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 = 74.2:
      O   HD2   HIS  122 - HB2   HIS  122   3.82 +/- 0.30  99.794% * 99.8219% (1.00  10.0   3.81  74.17) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.84 +/- 1.42   0.167% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.60 +/- 1.37   0.028% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  18.47 +/- 1.83   0.011% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.87, residual support = 74.2:
      O   HN    HIS  122 - HB2   HIS  122   3.51 +/- 0.35  99.466% * 99.7165% (0.41  10.0   5.87  74.17) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   8.78 +/- 1.01   0.524% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  17.79 +/- 1.86   0.009% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  30.64 +/- 4.95   0.000% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 74.2:
      O   HD2   HIS  122 - HB3   HIS  122   2.96 +/- 0.34  99.928% * 99.8219% (1.00  10.0   4.02  74.17) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  11.03 +/- 1.87   0.063% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.23 +/- 1.15   0.007% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  18.99 +/- 1.74   0.002% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.14, residual support = 74.2:
      O   HN    HIS  122 - HB3   HIS  122   2.71 +/- 0.38  99.984% * 99.8567% (0.90  10.0   6.14  74.17) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.11 +/- 1.18   0.016% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  30.32 +/- 4.63   0.000% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.369, support = 0.842, residual support = 5.68:
        T QD1   LEU   40 - HB3   HIS  122   5.44 +/- 1.37  24.927% * 50.4210% (0.20 10.00   0.50   0.66) =  40.860%  kept
          QG2   ILE  119 - HB3   HIS  122   4.99 +/- 1.17  36.591% * 33.2665% (0.53  1.00   1.24  13.36) =  39.574%  kept
          QD2   LEU   67 - HB3   HIS  122   6.00 +/- 2.59  38.302% * 15.7108% (0.41  1.00   0.75   0.66) =  19.564%  kept
          QD1   ILE  103 - HB3   HIS  122  12.28 +/- 1.54   0.105% *  0.3476% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  12.44 +/- 1.06   0.074% *  0.2541% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.24, residual support = 27.3:
          HA    ALA  120 - HG    LEU  123   2.85 +/- 0.83  98.605% * 95.0294% (0.68  1.00   3.24  27.31) =  99.994%  kept
          HA    LYS+ 121 - HG    LEU  123   6.78 +/- 0.41   1.134% *  0.4070% (0.47  1.00   0.02   2.47) =   0.005%
          HA    LYS+  65 - HG    LEU  123  12.09 +/- 1.36   0.097% *  0.4949% (0.57  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG    LEU  123   9.34 +/- 0.79   0.130% *  0.2021% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  15.28 +/- 1.77   0.029% *  0.5314% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  22.49 +/- 1.37   0.001% *  1.4775% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.34 +/- 1.14   0.003% *  0.4528% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  23.86 +/- 1.94   0.001% *  0.5140% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  23.49 +/- 1.20   0.001% *  0.3594% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  31.16 +/- 2.84   0.000% *  0.5314% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 203.8:
          HN    LEU  123 - HG    LEU  123   3.60 +/- 0.25  99.996% * 99.5548% (0.36   5.82 203.83) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.65 +/- 2.23   0.004% *  0.1287% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  27.37 +/- 1.48   0.001% *  0.3165% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 27.3:
          HA    ALA  120 - HB3   LEU  123   3.50 +/- 0.29  97.860% * 96.3875% (0.99   3.31  27.31) =  99.991%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.89 +/- 0.33   1.903% *  0.4038% (0.69   0.02   2.47) =   0.008%
          QB    SER  117 - HB3   LEU  123  10.30 +/- 0.47   0.161% *  0.2005% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.13 +/- 1.52   0.054% *  0.4911% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  16.07 +/- 2.01   0.016% *  0.5273% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.24 +/- 1.47   0.002% *  0.4493% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  25.62 +/- 2.52   0.001% *  0.5100% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.39 +/- 1.21   0.001% *  0.3566% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.47 +/- 1.11   0.001% *  0.1466% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  32.93 +/- 3.20   0.000% *  0.5273% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 5.51, residual support = 157.0:
      O   HN    LEU  123 - HB3   LEU  123   3.56 +/- 0.37  28.881% * 88.3664% (0.98  10.0   5.82 203.83) =  75.617%  kept
          HN    ALA  124 - HB3   LEU  123   3.04 +/- 0.50  71.118% * 11.5716% (0.57   1.0   4.53  11.67) =  24.383%  kept
          HE21  GLN   17 - HB3   LEU  123  21.78 +/- 2.52   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 27.3:
          HA    ALA  120 - HB2   LEU  123   2.06 +/- 0.55  99.566% * 89.8611% (0.99  1.00   3.55  27.31) =  99.985%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.55 +/- 0.71   0.344% *  3.5096% (0.69 10.00   0.02   2.47) =   0.013%
        T HA    LYS+  65 - HB2   LEU  123  13.46 +/- 1.45   0.032% *  4.2676% (0.84 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HB2   LEU  123  16.52 +/- 2.06   0.017% *  0.4582% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.98 +/- 0.44   0.038% *  0.1743% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.06 +/- 1.08   0.001% *  0.3905% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  25.00 +/- 2.24   0.001% *  0.4432% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  24.71 +/- 1.01   0.000% *  0.3099% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  23.63 +/- 0.98   0.000% *  0.1274% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  32.01 +/- 3.12   0.000% *  0.4582% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.902, support = 5.83, residual support = 167.4:
      O   HN    LEU  123 - HB2   LEU  123   2.51 +/- 0.19  34.893% * 88.8152% (0.98  10.0   6.18 203.83) =  81.059%  kept
          HN    ALA  124 - HB2   LEU  123   2.34 +/- 0.66  65.107% * 11.1225% (0.57   1.0   4.34  11.67) =  18.941%  kept
          HE21  GLN   17 - HB2   LEU  123  22.00 +/- 2.52   0.000% *  0.0622% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.565, support = 5.28, residual support = 27.2:
        T HA    ALA  120 - QD1   LEU  123   2.84 +/- 0.69  95.834% * 93.4868% (0.57 10.00   5.29  27.31) =  99.777%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.35 +/- 0.34   3.899% *  5.1216% (0.20  1.00   3.13   2.47) =   0.222%
          HA    LYS+  65 - QD1   LEU  123   9.38 +/- 1.27   0.215% *  0.1562% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  12.02 +/- 1.29   0.036% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  20.71 +/- 1.69   0.001% *  0.5097% (0.31 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.79 +/- 1.30   0.002% *  0.1262% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.78 +/- 0.94   0.007% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  19.70 +/- 1.66   0.002% *  0.0563% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.44 +/- 1.47   0.001% *  0.0935% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  25.71 +/- 2.16   0.000% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.70 +/- 1.15   0.002% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  26.81 +/- 1.46   0.000% *  0.0869% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.57, support = 1.81, residual support = 9.21:
      O   HN    ALA  124 - QB    ALA  124   2.29 +/- 0.31  96.313% * 78.9207% (0.57  10.0   1.80   9.18) =  98.993%  kept
          HN    LEU  123 - QB    ALA  124   4.23 +/- 0.25   3.687% * 20.9731% (0.98   1.0   2.77  11.67) =   1.007%  kept
          HE21  GLN   17 - QB    ALA  124  21.75 +/- 1.93   0.000% *  0.1063% (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 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.8, residual support = 9.18:
      O   HN    ALA  124 - HA    ALA  124   2.77 +/- 0.20  96.121% * 99.7382% (0.98  10.0   1.80   9.18) =  99.996%  kept
          HN    LEU  123 - HA    ALA  124   4.88 +/- 0.29   3.697% *  0.0904% (0.80   1.0   0.02  11.67) =   0.003%
          HN    ALA  120 - HA    ALA  124   8.02 +/- 0.56   0.178% *  0.0198% (0.18   1.0   0.02   1.47) =   0.000%
          HE21  GLN   17 - HA    ALA   34  17.37 +/- 1.82   0.002% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  25.25 +/- 2.39   0.000% *  0.1129% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.45 +/- 2.03   0.001% *  0.0105% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  21.67 +/- 2.32   0.001% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.99 +/- 1.32   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.847, support = 5.71, residual support = 154.6:
      O   HN    LEU  123 - HA    LEU  123   2.91 +/- 0.05  77.723% * 44.9320% (0.80  10.0   6.19 203.83) =  74.363%  kept
      O   HN    ALA  124 - HA    LEU  123   3.60 +/- 0.04  21.889% * 55.0021% (0.98  10.0   4.33  11.67) =  25.637%  kept
          HN    ALA  120 - HA    LEU  123   7.07 +/- 0.20   0.387% *  0.0098% (0.18   1.0   0.02  27.31) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.81 +/- 2.29   0.001% *  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  14.81 +/- 2.32 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.24 A violated in 20 structures by 11.56 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 = 22.2:
      O   HN    ILE  103 - HA    LYS+ 102   2.23 +/- 0.06 100.000% * 99.7350% (0.69  10.0   5.97  22.16) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  26.23 +/- 1.73   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.40 +/- 0.56   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  28.79 +/- 4.71   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.82 +/- 0.85   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 = 14.4:
      O   HN    PHE   95 - HA    THR   94   2.22 +/- 0.05 100.000% *100.0000% (0.73  10.0   3.16  14.45) = 100.000%  kept
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 83.3:
      O   HN    LEU   80 - HB2   LEU   80   2.53 +/- 0.43  99.998% * 99.7811% (1.00  10.0   5.72  83.33) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  15.89 +/- 1.94   0.002% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  22.22 +/- 4.00   0.000% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  20.79 +/- 4.32   0.000% *  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 = 5.69, residual support = 83.3:
      O   HN    LEU   80 - HB3   LEU   80   3.40 +/- 0.16  99.986% * 99.7811% (1.00  10.0   5.69  83.33) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  16.68 +/- 1.77   0.008% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  22.94 +/- 4.39   0.002% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  21.31 +/- 4.78   0.004% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.38, residual support = 83.3:
      O   HA    LEU   80 - HB3   LEU   80   2.79 +/- 0.13  98.325% * 99.6901% (0.98  10.0   5.38  83.33) =  99.999%  kept
          HB    THR   23 - HB3   LEU   80   9.06 +/- 3.26   0.774% *  0.0912% (0.90   1.0   0.02   1.02) =   0.001%
          HA    THR   23 - HB3   LEU   80   9.52 +/- 3.79   0.385% *  0.0912% (0.90   1.0   0.02   1.02) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   6.97 +/- 0.55   0.515% *  0.0617% (0.61   1.0   0.02   4.81) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  25.34 +/- 4.90   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.435, support = 4.35, residual support = 83.3:
      O   QD2   LEU   80 - HB3   LEU   80   2.95 +/- 0.34  35.321% * 77.3053% (0.57  10.0  1.00   4.12  83.33) =  69.559%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.59 +/- 0.42  64.664% * 18.4793% (0.14  10.0  1.00   4.88  83.33) =  30.441%  kept
        T QD1   LEU   73 - HB3   LEU   80  12.62 +/- 2.95   0.010% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  17.91 +/- 2.62   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  20.00 +/- 2.64   0.000% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  23.56 +/- 3.60   0.000% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  16.42 +/- 3.43   0.002% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  16.71 +/- 4.00   0.002% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  20.27 +/- 2.75   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 = 0.634, support = 4.61, residual support = 83.3:
      O   HA    LEU   80 - HG    LEU   80   3.27 +/- 0.49  82.187% * 99.0855% (0.63  10.0   4.61  83.33) =  99.981%  kept
          HB    THR   23 - HG    LEU   80   8.47 +/- 4.47  11.502% *  0.0907% (0.58   1.0   0.02   1.02) =   0.013%
          HA    THR   23 - HG    LEU   80   8.95 +/- 4.99   4.452% *  0.0907% (0.58   1.0   0.02   1.02) =   0.005%
          HA    THR   23 - HG    LEU   73   8.31 +/- 1.44   1.053% *  0.0360% (0.23   1.0   0.02   0.39) =   0.000%
          HA    ASP-  78 - HG    LEU   80   8.48 +/- 0.45   0.378% *  0.0613% (0.39   1.0   0.02   4.81) =   0.000%
          HB    THR   23 - HG    LEU   73  10.51 +/- 1.42   0.195% *  0.0360% (0.23   1.0   0.02   0.39) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.34 +/- 0.78   0.124% *  0.0492% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.29 +/- 0.44   0.045% *  0.0309% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  14.10 +/- 0.50   0.019% *  0.0309% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  16.45 +/- 2.79   0.010% *  0.0393% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  17.99 +/- 1.53   0.005% *  0.0682% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.21 +/- 1.55   0.014% *  0.0260% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  20.19 +/- 1.52   0.003% *  0.0682% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.48 +/- 0.54   0.005% *  0.0243% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  25.77 +/- 5.81   0.001% *  0.0654% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  20.05 +/- 2.37   0.002% *  0.0337% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.19 +/- 1.47   0.003% *  0.0223% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  25.46 +/- 3.02   0.001% *  0.0746% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.78 +/- 0.84   0.002% *  0.0209% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  25.76 +/- 1.12   0.000% *  0.0461% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.184, support = 5.57, residual support = 164.3:
          HN    LEU   73 - HG    LEU   73   3.01 +/- 0.72  55.328% * 43.2821% (0.20   5.73 173.81) =  84.870%  kept
          HN    ILE   19 - HG12  ILE   19   3.24 +/- 0.55  33.020% *  8.1803% (0.03   6.26 174.22) =   9.573%  kept
          HN    VAL   42 - HG    LEU   73   4.36 +/- 1.13   8.943% * 12.0908% (0.20   1.60   1.20) =   3.832%  kept
          HN    VAL   42 - HG    LEU   40   5.72 +/- 1.07   1.431% * 33.9404% (0.37   2.37   1.29) =   1.721%  kept
          HN    LEU   73 - HG12  ILE   19   7.03 +/- 1.17   0.398% *  0.1295% (0.17   0.02   4.00) =   0.002%
          HN    ILE   19 - HG    LEU   73   6.18 +/- 0.63   0.649% *  0.0305% (0.04   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   8.13 +/- 1.39   0.150% *  0.1295% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.46 +/- 1.08   0.044% *  0.2863% (0.37   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.31 +/- 0.81   0.015% *  0.3129% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  16.00 +/- 4.08   0.004% *  0.3804% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.55 +/- 0.95   0.011% *  0.0578% (0.08   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  19.10 +/- 4.78   0.001% *  0.3804% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.80 +/- 1.53   0.003% *  0.1650% (0.21   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  17.47 +/- 3.16   0.002% *  0.0768% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  24.30 +/- 5.65   0.000% *  0.4158% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.97 +/- 1.34   0.000% *  0.1415% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.81, residual support = 171.4:
      O T HA    LYS+  99 - HB3   LYS+  99   2.72 +/- 0.28  94.051% * 97.7927% (0.76  10.0 10.00   5.81 171.45) =  99.995%  kept
          HA    LEU   40 - HB3   LYS+  99   4.72 +/- 0.80   5.885% *  0.0828% (0.65   1.0  1.00   0.02  12.77) =   0.005%
          HA    ASN   35 - HB3   LYS+  99  10.52 +/- 1.16   0.048% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.20 +/- 1.78   0.013% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.82 +/- 0.78   0.001% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.37 +/- 0.99   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.85 +/- 1.23   0.001% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.18 +/- 0.85   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.99 +/- 1.26   0.000% *  0.0574% (0.45   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 171.5:
      O   HN    LYS+  99 - HB3   LYS+  99   2.76 +/- 0.27  98.831% * 99.4797% (0.31  10.0   3.68 171.45) =  99.999%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.04 +/- 4.05   1.146% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   LYS+  99  11.97 +/- 1.04   0.023% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.80 +/- 1.27   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  26.58 +/- 1.85   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 = 1.49, residual support = 17.1:
        T QD1   LEU  104 - HB3   LYS+  99   2.60 +/- 0.46  99.994% * 96.9557% (0.41 10.00   1.49  17.08) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  21.05 +/- 1.67   0.001% *  2.6376% (0.84 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.65 +/- 0.84   0.004% *  0.0625% (0.20  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  21.96 +/- 3.28   0.001% *  0.2739% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  22.11 +/- 4.59   0.001% *  0.0703% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 2.03, residual support = 12.8:
        T QD2   LEU   40 - HB3   LYS+  99   3.13 +/- 0.89  97.136% * 99.6071% (0.76 10.00   2.03  12.77) =  99.998%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.93 +/- 0.24   1.885% *  0.0791% (0.61  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB3   LYS+  99   9.11 +/- 2.43   0.930% *  0.0946% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  13.22 +/- 1.17   0.041% *  0.0325% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  18.99 +/- 0.91   0.005% *  0.1233% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.03 +/- 1.03   0.003% *  0.0634% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 171.5:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.67 +/- 0.24  99.917% * 99.4593% (0.97  10.0   5.47 171.45) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.90 +/- 0.99   0.050% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.92 +/- 1.14   0.006% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.89 +/- 1.62   0.016% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  13.91 +/- 0.95   0.007% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.02 +/- 0.98   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  19.70 +/- 1.04   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.74 +/- 2.00   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  25.57 +/- 2.08   0.000% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  27.24 +/- 4.53   0.000% *  0.0542% (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 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.5:
      O T HB2   LYS+  99 - HA    LYS+  99   2.79 +/- 0.27  99.970% * 99.7492% (0.99  10.0 10.00   7.00 171.45) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.44 +/- 0.72   0.029% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.52 +/- 0.72   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  28.11 +/- 2.10   0.000% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.578, support = 5.13, residual support = 183.0:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.87 +/- 0.25  16.480% * 58.3907% (0.99  10.0  1.00   5.01 171.45) =  36.529%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.36 +/- 0.16  47.625% * 20.0954% (0.34  10.0 10.00   5.27 171.45) =  36.330%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.48 +/- 0.15  35.827% * 19.9563% (0.34  10.0 10.00   5.11 213.91) =  27.141%  kept
        T QD    LYS+  99 - HG3   LYS+  38   8.09 +/- 1.16   0.049% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  13.38 +/- 0.65   0.001% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.28 +/- 1.01   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.72 +/- 1.24   0.014% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  16.94 +/- 2.81   0.001% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.75 +/- 1.86   0.001% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  28.31 +/- 2.44   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.79 +/- 1.04   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  16.16 +/- 3.17   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.90 +/- 1.76   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.70 +/- 1.40   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  25.93 +/- 2.31   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  26.82 +/- 2.78   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.02 +/- 0.99   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  31.78 +/- 2.72   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 = 171.5:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.54 +/- 0.24  99.899% * 97.9462% (0.99  10.0 10.00   6.44 171.45) = 100.000%  kept
        T HB2   LYS+  99 - HG3   LYS+  38   9.71 +/- 1.28   0.045% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  14.08 +/- 0.68   0.004% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  14.88 +/- 2.76   0.006% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.07 +/- 1.18   0.043% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  26.85 +/- 2.89   0.000% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.89 +/- 1.24   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.99 +/- 1.36   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  30.44 +/- 2.08   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.90 +/- 2.65   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.55 +/- 1.92   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  32.67 +/- 2.73   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 124.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.54 +/- 0.34  99.986% * 99.5202% (1.00  10.0   5.49 124.16) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.85 +/- 1.30   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.80 +/- 1.21   0.004% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  19.82 +/- 1.86   0.004% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  21.82 +/- 2.11   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.86 +/- 1.65   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.30 +/- 1.28   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.94 +/- 3.44   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.25 +/- 0.94   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.07, residual support = 124.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.34 +/- 0.14  99.812% * 99.6757% (0.98  10.0   6.07 124.16) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   8.54 +/- 2.20   0.186% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  15.71 +/- 1.14   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.64 +/- 0.85   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.28 +/- 1.46   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  30.05 +/- 0.96   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.14, residual support = 102.3:
          QD2   LEU  115 - HG3   GLN  116   3.75 +/- 0.49  98.787% * 98.8247% (0.97   7.14 102.33) =  99.998%  kept
          QD1   LEU   63 - HG3   GLN  116   8.94 +/- 0.87   0.656% *  0.1971% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.27 +/- 0.95   0.515% *  0.0443% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.16 +/- 1.06   0.029% *  0.2813% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.43 +/- 0.71   0.007% *  0.1971% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.72 +/- 3.48   0.004% *  0.1741% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  23.73 +/- 2.31   0.003% *  0.2813% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.5, residual support = 124.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.50 124.16) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.79 +/- 0.83   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  32.62 +/- 1.27   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 = 4.09, residual support = 124.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.30 +/- 0.41  98.260% * 99.6819% (0.69  10.0   4.09 124.16) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.83 +/- 0.59   1.612% *  0.0448% (0.31   1.0   0.02   0.21) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.17 +/- 1.36   0.127% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  27.38 +/- 2.65   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.87 +/- 1.19   0.000% *  0.0224% (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 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.66, residual support = 124.1:
          HN    GLN  116 - HG3   GLN  116   3.72 +/- 0.26  94.911% * 98.9998% (0.69   7.66 124.16) =  99.989%  kept
          HN    THR  118 - HG3   GLN  116   7.28 +/- 0.55   1.897% *  0.3472% (0.92   0.02   0.02) =   0.007%
          HN    GLU- 114 - HG3   GLN  116   6.92 +/- 0.90   2.914% *  0.0938% (0.25   0.02   0.31) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.50 +/- 1.02   0.277% *  0.3761% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  25.24 +/- 1.73   0.001% *  0.1831% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.57, residual support = 176.0:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.822% * 88.2996% (1.00  10.0 10.00   6.60 171.45) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.822% *  8.9120% (0.10  10.0 10.00   6.32 221.56) =   9.168%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   8.20 +/- 0.90   0.006% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.85 +/- 0.14   0.112% *  0.0247% (0.28   1.0  1.00   0.02   7.51) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.62 +/- 1.19   0.014% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.92 +/- 0.84   0.168% *  0.0063% (0.07   1.0  1.00   0.02  11.20) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.04 +/- 1.83   0.035% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.62 +/- 1.50   0.010% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.39 +/- 1.25   0.008% *  0.0221% (0.25   1.0  1.00   0.02  16.67) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  18.75 +/- 4.06   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.95 +/- 1.05   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.43 +/- 1.92   0.000% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.81 +/- 1.11   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.75 +/- 2.40   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.60 +/- 0.93   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  15.29 +/- 2.27   0.000% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.21 +/- 0.89   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.61 +/- 1.83   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  13.51 +/- 1.80   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  21.95 +/- 3.92   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  20.81 +/- 0.77   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  21.75 +/- 2.08   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  26.93 +/- 2.38   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  28.32 +/- 4.29   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  20.67 +/- 2.82   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.67 +/- 1.17   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.23 +/- 1.44   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.94 +/- 2.17   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  28.42 +/- 2.75   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  25.64 +/- 2.03   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  31.27 +/- 3.73   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.81 +/- 1.37   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  27.80 +/- 2.56   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.99 +/- 1.09   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  30.57 +/- 4.49   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.43 +/- 2.09   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  29.88 +/- 2.85   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  28.12 +/- 2.28   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.25 +/- 1.40   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        :   1734
      with multiple volume contributions     :    497
      eliminated by violation filter         :    117
 
    Peaks:
      selected                               :   2700
      without assignment                     :    144
      with assignment                        :   2556
      with unique assignment                 :   2005
      with multiple assignment               :    551
      with reference assignment              :   1605
      with identical reference assignment    :   1260
      with compatible reference assignment   :    337
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    951
 
    Atoms with eliminated volume contribution > 2.5:
    QG2   VAL   18       3.0
    HA    HIS   22       3.0
    QB    LYS+  33       2.7
    QD2   LEU   40       4.0
    HB    VAL   41       3.0
    QG2   VAL   41       3.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       4.3
    QD    PHE   60       4.7
    HN    LYS+  65       6.0
    HZ    PHE   72       3.3
    HA    LEU   73       3.0
    QG    LYS+  81       2.6
    QG2   ILE   89       5.1
    QD1   ILE   89       4.4
    HB    THR   94       3.1
    HB3   MET   96       2.9
    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 = 72.1:
        T HA    PHE   60 - QD    PHE   60   2.70 +/- 0.37  99.809% * 98.3426% (0.87 10.00   3.94  72.13) =  99.999%  kept
        T QB    SER   48 - QD    PHE   60  10.82 +/- 1.81   0.074% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  12.56 +/- 0.72   0.013% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.61 +/- 0.77   0.068% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.66 +/- 0.66   0.022% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.79 +/- 0.72   0.005% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.18 +/- 0.98   0.009% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 1.05, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.722% * 99.2756% (0.69  10.0   1.05  74.39) = 100.000%  kept
          HN    TRP   87 - HZ3   TRP   87   6.82 +/- 0.51   0.275% *  0.1676% (0.61   1.0   0.02  74.39) =   0.000%
          HN    ALA   91 - HZ3   TRP   87  14.28 +/- 0.66   0.003% *  0.0853% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  30.80 +/- 4.97   0.000% *  0.2112% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  27.12 +/- 2.82   0.000% *  0.1037% (0.38   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  33.36 +/- 5.05   0.000% *  0.1565% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  20.41 +/- 1.54 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.46 A violated in 20 structures by 14.95 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.19, residual support = 4.77:
          QB    ALA   20 - HE1   HIS   22   4.86 +/- 0.13  99.933% * 93.8126% (0.76   1.19   4.77) =  99.999%  kept
          QG2   VAL  107 - HE1   HIS   22  21.61 +/- 0.75   0.014% *  1.9528% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.00 +/- 0.68   0.041% *  0.5148% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.74 +/- 0.92   0.006% *  1.0861% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  31.13 +/- 1.40   0.002% *  2.0598% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  26.17 +/- 1.31   0.004% *  0.5740% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.32 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.277, support = 5.25, residual support = 50.9:
          HN    ASN   28 - HD1   TRP   27   4.16 +/- 0.38  96.572% * 37.0079% (0.25   5.37  52.82) =  96.309%  kept
          HN    GLU-  25 - HD1   TRP   27   7.96 +/- 0.48   2.185% * 62.3644% (0.99   2.27   0.02) =   3.673%  kept
          HN    ASP-  44 - HD1   TRP   27   8.86 +/- 0.75   1.235% *  0.5423% (0.98   0.02   0.02) =   0.018%
          HN    ALA  110 - HD1   TRP   27  20.45 +/- 2.06   0.008% *  0.0854% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.37, residual support = 109.3:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.37 109.27) = 100.000%  kept
    Distance limit 4.16 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 = 1.59, residual support = 109.3:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.999% * 99.9805% (0.89  10.0   1.59 109.27) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  18.59 +/- 1.44   0.001% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 4.31, residual support = 109.3:
          HA    TRP   27 - HE3   TRP   27   5.02 +/- 0.67  99.359% * 98.5906% (0.96   4.31 109.27) =  99.998%  kept
          HA    ALA   91 - HE3   TRP   27  15.10 +/- 1.70   0.205% *  0.4697% (0.98   0.02   0.02) =   0.001%
          HA    VAL  107 - HE3   TRP   27  16.65 +/- 0.79   0.092% *  0.4374% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.53 +/- 1.72   0.104% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  16.94 +/- 0.69   0.080% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.23 +/- 1.58   0.023% *  0.1778% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  18.58 +/- 1.62   0.050% *  0.0731% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.08 +/- 1.60   0.010% *  0.0731% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.66 +/- 3.03   0.058% *  0.0114% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.27 +/- 0.99   0.020% *  0.0277% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.46 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 109.3:
      O   HB3   TRP   27 - HE3   TRP   27   3.29 +/- 0.19  99.691% * 98.0783% (0.17  10.0   4.50 109.27) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.25 +/- 1.31   0.160% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.40 +/- 1.73   0.010% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  15.50 +/- 1.25   0.012% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.68 +/- 1.03   0.024% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  18.51 +/- 1.24   0.004% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.08 +/- 2.14   0.019% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.55 +/- 2.33   0.069% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  18.94 +/- 1.37   0.003% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  16.58 +/- 0.92   0.007% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 0.94, support = 1.5, residual support = 11.0:
          QG1   VAL   43 - HE3   TRP   27   4.15 +/- 0.81  71.929% * 74.5463% (0.99   1.50   9.32) =  92.931%  kept
          QD2   LEU   73 - HE3   TRP   27   5.52 +/- 1.20  19.509% * 20.7267% (0.28   1.50  33.80) =   7.008%  kept
          HG    LEU   31 - HE3   TRP   27   6.91 +/- 0.61   3.301% *  0.4086% (0.41   0.02  16.66) =   0.023%
          QG1   VAL   41 - HE3   TRP   27   8.52 +/- 1.23   1.026% *  0.9402% (0.94   0.02   0.02) =   0.017%
          QG2   THR   46 - HE3   TRP   27  10.32 +/- 1.30   0.473% *  0.8302% (0.83   0.02   0.02) =   0.007%
          QG2   VAL   18 - HN    LEU   67   7.94 +/- 0.79   1.811% *  0.1428% (0.14   0.02   0.02) =   0.004%
          QG2   VAL   18 - HE3   TRP   27  10.64 +/- 0.66   0.272% *  0.9175% (0.91   0.02   0.02) =   0.004%
          QD1   ILE   19 - HE3   TRP   27  10.03 +/- 1.06   0.358% *  0.4838% (0.48   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   67  10.00 +/- 1.58   0.542% *  0.0753% (0.08   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   67  11.53 +/- 0.67   0.146% *  0.1463% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.37 +/- 0.97   0.098% *  0.1547% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.17 +/- 0.33   0.322% *  0.0430% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  14.37 +/- 1.34   0.037% *  0.3390% (0.34   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.48 +/- 1.34   0.073% *  0.1292% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.94 +/- 1.39   0.093% *  0.0528% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.23 +/- 1.06   0.009% *  0.0636% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.46 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 = 0.387, support = 6.07, residual support = 32.5:
          QD1   LEU   73 - HE3   TRP   27   3.29 +/- 1.04  72.091% * 87.1637% (0.37   6.30  33.80) =  96.194%  kept
          QD2   LEU   80 - HE3   TRP   27   9.63 +/- 5.98  24.845% *  9.9594% (0.76   0.35   0.02) =   3.788%  kept
          QG1   VAL   83 - HE3   TRP   27  10.29 +/- 3.48   1.598% *  0.6614% (0.89   0.02   0.02) =   0.016%
          QG2   ILE   89 - HE3   TRP   27  11.03 +/- 2.67   0.311% *  0.2051% (0.28   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   67   7.14 +/- 0.76   0.928% *  0.0431% (0.06   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   67  11.14 +/- 1.26   0.076% *  0.1086% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.38 +/- 0.86   0.029% *  0.2768% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.94 +/- 1.13   0.076% *  0.0833% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  14.76 +/- 1.35   0.008% *  0.6976% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.75 +/- 1.10   0.005% *  0.5355% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.42 +/- 0.35   0.029% *  0.0431% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  20.49 +/- 2.28   0.002% *  0.0877% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  21.70 +/- 1.74   0.001% *  0.1029% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  20.35 +/- 1.46   0.002% *  0.0319% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.517, residual support = 1.12:
          QG2   VAL   75 - HE3   TRP   27   4.45 +/- 1.76  81.132% * 73.9793% (0.72   0.52   1.14) =  98.442%  kept
          QG2   VAL   42 - HE3   TRP   27   9.47 +/- 0.89   3.555% * 25.2357% (0.56   0.23   0.02) =   1.471%  kept
          QG2   VAL   42 - HN    LEU   67   7.14 +/- 1.01  15.161% *  0.3439% (0.09   0.02   0.02) =   0.086%
          QG2   VAL   75 - HN    LEU   67  14.62 +/- 0.59   0.152% *  0.4411% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 4 structures by 0.58 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.46, residual support = 34.5:
      O T HB2   HIS   22 - HD2   HIS   22   3.34 +/- 0.54  99.997% * 99.9216% (0.92  10.0 10.00   2.46  34.49) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  21.21 +/- 0.51   0.002% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  28.18 +/- 0.87   0.000% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.07, residual support = 34.5:
      O T HB3   HIS   22 - HD2   HIS   22   3.46 +/- 0.52  99.999% * 99.8217% (0.45  10.0 10.00   3.07  34.49) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  25.57 +/- 2.07   0.001% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.83, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.91 +/- 0.79  53.784% * 29.7119% (0.92   0.02   0.02) =  77.980%  kept
          HB2   PHE   72 - HD2   HIS   22  13.00 +/- 0.45  32.708% *  4.9662% (0.15   0.02   0.02) =   7.926%  kept
          HB3   ASP-  78 - HD2   HIS   22  16.70 +/- 1.62   7.793% * 19.5221% (0.61   0.02   0.02) =   7.424%  kept
          QB    CYS   50 - HD2   HIS   22  19.06 +/- 1.32   3.345% * 28.8658% (0.90   0.02   0.02) =   4.711%  kept
          HB3   ASN   69 - HD2   HIS   22  20.30 +/- 0.95   2.370% * 16.9340% (0.53   0.02   0.02) =   1.958%  kept
    Distance limit 5.50 A violated in 20 structures by 5.21 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.08, residual support = 4.77:
        T QB    ALA   20 - HD2   HIS   22   5.04 +/- 0.49  99.860% * 98.9678% (0.28 10.00   2.08   4.77) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  20.23 +/- 0.74   0.027% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.64 +/- 0.94   0.019% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  16.63 +/- 0.91   0.089% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.79 +/- 1.56   0.003% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  29.98 +/- 1.19   0.003% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.11 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  19.19 +/- 1.61 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.44 A violated in 20 structures by 13.75 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.91, residual support = 5.7:
          HA    CYS   21 - HD2   HIS   22   3.93 +/- 0.50  99.951% * 97.1553% (0.95   2.91   5.70) = 100.000%  kept
          HA    ALA   47 - HD2   HIS   22  18.24 +/- 1.58   0.030% *  0.1961% (0.28   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  22.70 +/- 1.49   0.006% *  0.7052% (1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  22.24 +/- 1.85   0.005% *  0.6671% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.50 +/- 1.34   0.003% *  0.4562% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  27.01 +/- 1.10   0.002% *  0.6806% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  23.52 +/- 0.79   0.003% *  0.1396% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 3.22, residual support = 52.6:
          HA    ASN   28 - HD1   TRP   27   3.79 +/- 0.54  95.314% * 79.9676% (1.00   3.23  52.82) =  99.390%  kept
          HA    THR   26 - HD1   TRP   27   7.06 +/- 0.22   2.605% * 17.6134% (0.28   2.55  22.72) =   0.598%  kept
          HA    ALA   34 - HD1   TRP   27   8.46 +/- 1.20   1.396% *  0.4584% (0.92   0.02   0.02) =   0.008%
          HA1   GLY  101 - HD1   TRP   27  10.34 +/- 2.01   0.597% *  0.3795% (0.76   0.02   0.02) =   0.003%
          HA    GLU-  36 - HD1   TRP   27  13.47 +/- 1.03   0.061% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  19.87 +/- 0.85   0.006% *  0.4922% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  20.01 +/- 3.93   0.014% *  0.0983% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.62 +/- 1.07   0.003% *  0.3411% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  23.57 +/- 1.25   0.002% *  0.3012% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  25.63 +/- 2.11   0.001% *  0.2811% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 4.41, residual support = 26.8:
          HA    VAL   24 - HD1   TRP   27   5.27 +/- 0.49  98.852% * 99.4460% (1.00   4.41  26.78) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  12.00 +/- 1.15   0.946% *  0.3104% (0.69   0.02   0.02) =   0.003%
          HD2   PRO   68 - HD1   TRP   27  17.34 +/- 1.43   0.099% *  0.1542% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  17.00 +/- 0.75   0.102% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.55 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 109.3:
      O T HB2   TRP   27 - HD1   TRP   27   3.77 +/- 0.28  99.970% * 99.7544% (0.65  10.0 10.00   3.66 109.27) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  15.55 +/- 1.76   0.024% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.71 +/- 1.15   0.005% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 109.3:
      O T HB3   TRP   27 - HD1   TRP   27   3.39 +/- 0.12  99.935% * 99.6316% (0.73  10.0 10.00   4.09 109.27) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  14.85 +/- 1.91   0.023% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  13.25 +/- 0.85   0.029% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.37 +/- 0.81   0.013% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.745, support = 2.56, residual support = 26.8:
          QG2   VAL   24 - HD1   TRP   27   4.95 +/- 0.70  83.633% * 76.7325% (0.76  1.00   2.61  26.78) =  95.771%  kept
          QG1   VAL   24 - HD1   TRP   27   6.74 +/- 0.77  16.169% * 17.4880% (0.31  1.00   1.47  26.78) =   4.220%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.21 +/- 0.55   0.113% *  4.9712% (0.65 10.00   0.02   0.02) =   0.008%
          HG    LEU   63 - HD1   TRP   27  16.73 +/- 1.28   0.074% *  0.4661% (0.61  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HD1   TRP   27  25.18 +/- 1.60   0.006% *  0.1711% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  26.60 +/- 1.35   0.004% *  0.1711% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 4.01, residual support = 33.8:
          QD1   LEU   73 - HD1   TRP   27   2.79 +/- 0.69  99.628% * 95.8969% (0.49   4.01  33.80) =  99.997%  kept
          QD2   LEU   80 - HD1   TRP   27  12.66 +/- 5.55   0.241% *  0.8516% (0.87   0.02   0.02) =   0.002%
          QG1   VAL   83 - HD1   TRP   27  13.29 +/- 3.56   0.069% *  0.7861% (0.80   0.02   0.02) =   0.001%
          QD1   LEU  104 - HD1   TRP   27  13.25 +/- 1.23   0.023% *  0.9731% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  12.66 +/- 0.90   0.024% *  0.4779% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  17.67 +/- 1.12   0.003% *  0.8201% (0.84   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  14.54 +/- 2.60   0.013% *  0.1943% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 1.54, residual support = 16.7:
          QD2   LEU   31 - HD1   TRP   27   2.20 +/- 0.62  99.641% * 96.7240% (0.73   1.54  16.66) =  99.994%  kept
          QG2   VAL   83 - HD1   TRP   27  13.25 +/- 3.58   0.348% *  1.7271% (1.00   0.02   0.02) =   0.006%
          QD1   ILE   89 - HD1   TRP   27  14.77 +/- 3.42   0.011% *  1.5489% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.32, residual support = 109.3:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.997% * 99.7536% (0.28  10.0 10.00   1.32 109.27) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  14.39 +/- 1.03   0.003% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.23 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 = 109.3:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 109.27) = 100.000%  kept
    Distance limit 5.50 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 = 1.59, residual support = 109.3:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.921% * 99.6606% (1.00  10.0   1.59 109.27) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   8.88 +/- 0.55   0.052% *  0.0761% (0.61   1.0   0.02   0.51) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.40 +/- 1.15   0.013% *  0.0811% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  15.73 +/- 5.23   0.013% *  0.0279% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.97 +/- 1.45   0.000% *  0.1229% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  18.59 +/- 1.44   0.001% *  0.0313% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 1.46, residual support = 9.29:
        T QG1   VAL   43 - HH2   TRP   27   3.14 +/- 0.54  90.026% * 91.5601% (0.92 10.00   1.46   9.32) =  99.714%  kept
          HG    LEU   31 - HH2   TRP   27   6.78 +/- 0.96   2.750% *  5.5567% (0.65  1.00   1.27  16.66) =   0.185%
          QD2   LEU   73 - HH2   TRP   27   6.99 +/- 1.21   3.164% *  2.4724% (0.49  1.00   0.75  33.80) =   0.095%
          QG1   VAL   41 - HH2   TRP   27   7.36 +/- 1.75   3.854% *  0.1352% (1.00  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HH2   TRP   27  11.64 +/- 1.60   0.068% *  0.0822% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  12.36 +/- 0.83   0.032% *  0.0984% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.77 +/- 1.60   0.064% *  0.0237% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  12.15 +/- 1.11   0.033% *  0.0377% (0.28  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  15.12 +/- 1.30   0.009% *  0.0338% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.92, support = 2.95, residual support = 9.29:
        T QG1   VAL   43 - HZ3   TRP   27   3.58 +/- 0.87  87.072% * 93.6769% (0.92 10.00   2.96   9.32) =  99.697%  kept
          QD2   LEU   73 - HZ3   TRP   27   6.62 +/- 1.43   9.708% *  1.8523% (0.49  1.00   0.75  33.80) =   0.220%
          HG    LEU   31 - HZ3   TRP   27   7.57 +/- 0.89   1.605% *  4.1630% (0.65  1.00   1.27  16.66) =   0.082%
          QG1   VAL   41 - HZ3   TRP   27   8.59 +/- 1.64   0.991% *  0.1013% (1.00  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HZ3   TRP   27  10.50 +/- 1.58   0.345% *  0.0616% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  11.57 +/- 0.84   0.115% *  0.0737% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27  11.59 +/- 1.31   0.111% *  0.0282% (0.28  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  15.02 +/- 1.34   0.023% *  0.0253% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  13.52 +/- 1.58   0.030% *  0.0178% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 2.87, residual support = 33.5:
        T QD1   LEU   73 - HZ3   TRP   27   4.59 +/- 1.10  47.379% * 97.0659% (0.90 10.00   2.88  33.80) =  99.206%  kept
          QD2   LEU   80 - HZ3   TRP   27  10.35 +/- 6.27  25.547% *  1.4142% (0.53  1.00   0.50   0.02) =   0.779%  kept
          QG2   VAL   41 - HZ3   TRP   27   6.97 +/- 1.64   6.993% *  0.0301% (0.28  1.00   0.02   0.02) =   0.005%
          QD2   LEU   98 - HZ3   TRP   27   6.40 +/- 1.69  10.819% *  0.0167% (0.15  1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HZ3   TRP   27  11.40 +/- 6.11   9.016% *  0.0167% (0.15  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HZ3   TRP   27  12.02 +/- 0.90   0.124% *  0.9707% (0.90 10.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - HZ3   TRP   27  14.09 +/- 1.60   0.044% *  0.3341% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  13.41 +/- 1.15   0.057% *  0.0904% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  16.05 +/- 1.19   0.020% *  0.0613% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 1.94, residual support = 16.7:
        T QD2   LEU   31 - HZ3   TRP   27   5.88 +/- 1.05  65.053% * 99.7493% (0.76 10.00   1.94  16.66) =  99.932%  kept
          QG2   VAL   83 - HZ3   TRP   27   9.93 +/- 3.78  21.048% *  0.1341% (1.00  1.00   0.02   0.02) =   0.043%
          QD1   ILE   89 - HZ3   TRP   27  10.47 +/- 3.87  13.899% *  0.1166% (0.87  1.00   0.02   0.02) =   0.025%
    Distance limit 4.86 A violated in 11 structures by 1.16 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.762, support = 1.96, residual support = 16.6:
          QD2   LEU   31 - HH2   TRP   27   5.50 +/- 0.84  80.195% * 97.5720% (0.76   1.96  16.66) =  99.692%  kept
          QG2   VAL   83 - HH2   TRP   27  11.37 +/- 4.05  10.871% *  1.2989% (1.00   0.02   0.02) =   0.180%
          QD1   ILE   89 - HH2   TRP   27  11.48 +/- 3.81   8.934% *  1.1292% (0.87   0.02   0.02) =   0.129%
    Distance limit 4.83 A violated in 8 structures by 0.78 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 2.79, residual support = 32.6:
          QD1   LEU   73 - HH2   TRP   27   5.13 +/- 0.81  54.629% * 84.5668% (1.00   2.88  33.80) =  96.422%  kept
          QD2   LEU   80 - HH2   TRP   27  12.23 +/- 6.25  12.434% * 13.5352% (0.76   0.60   0.02) =   3.513%  kept
          QG2   VAL   41 - HH2   TRP   27   6.29 +/- 1.62  23.986% *  0.0797% (0.14   0.02   0.02) =   0.040%
          QG1   VAL   83 - HH2   TRP   27  11.79 +/- 4.46   7.781% *  0.0909% (0.15   0.02   0.02) =   0.015%
          QD1   LEU   63 - HH2   TRP   27  11.65 +/- 0.84   0.499% *  0.5880% (1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HH2   TRP   27  12.84 +/- 1.09   0.272% *  0.3574% (0.61   0.02   0.02) =   0.002%
          QD1   LEU  104 - HH2   TRP   27  12.53 +/- 1.66   0.312% *  0.3100% (0.53   0.02   0.02) =   0.002%
          QD2   LEU  115 - HH2   TRP   27  15.69 +/- 1.20   0.087% *  0.4718% (0.80   0.02   0.02) =   0.001%
    Distance limit 5.49 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 = 109.3:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 109.27) = 100.000%  kept
    Distance limit 4.16 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 = 0.867, support = 2.55, residual support = 52.8:
          HD21  ASN   28 - HZ2   TRP   27   5.52 +/- 0.17  97.810% * 98.1449% (0.87   2.55  52.82) =  99.984%  kept
          HZ2   TRP   87 - HZ2   TRP   27  16.73 +/- 5.52   1.151% *  0.8693% (0.98   0.02   0.02) =   0.010%
          QE    PHE   60 - HZ2   TRP   27  12.69 +/- 1.29   0.876% *  0.6092% (0.69   0.02   0.02) =   0.006%
          HN    LEU   63 - HZ2   TRP   27  16.97 +/- 0.64   0.120% *  0.2212% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.26 +/- 1.29   0.042% *  0.1553% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.22 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.84, residual support = 109.3:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.84 109.27) = 100.000%  kept
    Distance limit 5.23 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  15.84 +/- 4.92 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 5.14 A violated in 20 structures by 10.70 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.666, support = 2.77, residual support = 13.4:
        T QD2   LEU   31 - HZ2   TRP   27   3.97 +/- 0.43  54.287% * 51.9164% (0.49 10.00   4.15  16.66) =  56.183%  kept
        T QG2   VAL   43 - HZ2   TRP   27   4.35 +/- 1.21  45.713% * 48.0836% (0.90 10.00   1.01   9.32) =  43.817%  kept
    Distance limit 4.62 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 = 0.904, support = 1.1, residual support = 4.45:
        T QD1   ILE   89 - QD    PHE   45   5.92 +/- 2.65  51.764% * 90.9626% (0.90 10.00   1.12   4.69) =  92.511%  kept
          QG2   VAL   83 - QD    PHE   45   6.41 +/- 2.35  42.721% *  8.9053% (1.00  1.00   0.98   1.48) =   7.475%  kept
          QD2   LEU   31 - QD    PHE   45   9.43 +/- 0.76   5.515% *  0.1321% (0.73  1.00   0.02   0.02) =   0.014%
    Distance limit 4.46 A violated in 6 structures by 0.96 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 2.49, residual support = 3.84:
          QD1   ILE   89 - QE    PHE   45   6.31 +/- 2.85  46.364% * 70.2500% (0.97   2.96   4.69) =  73.450%  kept
          QG2   VAL   83 - QE    PHE   45   6.42 +/- 2.62  39.836% * 29.4514% (0.98   1.22   1.48) =  26.457%  kept
          QD2   LEU   31 - QE    PHE   45   8.02 +/- 0.68  13.800% *  0.2986% (0.61   0.02   0.02) =   0.093%
    Distance limit 4.37 A violated in 6 structures by 1.17 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.8:
        T QG1   VAL   75 - QD    PHE   45   2.40 +/- 0.50  99.959% * 99.9034% (1.00 10.00   3.10  18.75) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.94 +/- 1.60   0.041% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.13, residual support = 18.8:
        T HB    VAL   75 - QD    PHE   45   3.57 +/- 0.71  97.817% * 99.7392% (0.99 10.00   2.13  18.75) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   8.12 +/- 0.48   1.241% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45  10.52 +/- 0.65   0.307% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.88 +/- 0.69   0.220% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.46 +/- 0.65   0.153% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  10.98 +/- 0.80   0.213% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  13.88 +/- 0.56   0.048% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 2.98, residual support = 10.8:
        T QG2   THR   77 - QD    PHE   45   4.15 +/- 0.85  54.230% * 76.1631% (0.65 10.00   2.67   8.71) =  82.211%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.38 +/- 0.06  38.341% * 23.2995% (0.20 10.00   4.40  20.26) =  17.781%  kept
          HB3   LEU   80 - QD    PHE   45   9.04 +/- 3.75   6.431% *  0.0442% (0.38  1.00   0.02   0.02) =   0.006%
          QB    ALA   88 - QD    PHE   45  10.07 +/- 1.80   0.649% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  10.52 +/- 0.83   0.218% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.36 +/- 1.77   0.078% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  13.82 +/- 1.05   0.039% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  17.09 +/- 0.55   0.011% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.32 +/- 0.77   0.004% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.776, support = 0.75, residual support = 26.1:
          QG2   THR   94 - QD    PHE   45   3.96 +/- 0.97  87.552% * 67.1270% (0.80   0.75  27.19) =  94.934%  kept
          HG12  ILE   89 - QD    PHE   45   8.43 +/- 2.66  12.099% * 25.8744% (0.31   0.75   4.69) =   5.057%  kept
          HB3   LEU   71 - QD    PHE   45  12.74 +/- 0.91   0.162% *  2.2157% (0.99   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - QD    PHE   45  13.32 +/- 2.00   0.125% *  0.8390% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - QD    PHE   45  15.83 +/- 1.96   0.032% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.54 +/- 1.39   0.030% *  1.7084% (0.76   0.02   0.02) =   0.001%
    Distance limit 5.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 18.8:
        T QG1   VAL   75 - QE    PHE   45   2.97 +/- 0.46  99.949% * 99.9191% (0.90 10.00   2.43  18.75) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.31 +/- 1.63   0.051% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 0.537, support = 0.533, residual support = 3.3:
          HB    ILE   89 - QE    PHE   45   8.61 +/- 2.25   3.746% * 94.4406% (0.61   0.75   4.69) =  70.275%  kept
          HB    VAL   43 - QE    PHE   45   3.35 +/- 1.14  95.722% *  1.5584% (0.38   0.02   0.02) =  29.631%  kept
          QD    LYS+  81 - QE    PHE   45  12.80 +/- 2.05   0.168% *  1.2816% (0.31   0.02   0.02) =   0.043%
          QG1   ILE   56 - QE    PHE   45  10.09 +/- 0.71   0.299% *  0.6407% (0.15   0.02   0.02) =   0.038%
          HB2   LYS+  99 - QE    PHE   45  14.77 +/- 0.88   0.031% *  1.1545% (0.28   0.02   0.02) =   0.007%
          HB3   LYS+  99 - QE    PHE   45  14.76 +/- 1.06   0.034% *  0.9244% (0.22   0.02   0.02) =   0.006%
    Distance limit 5.17 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 = 9.18:
          HB3   MET   96 - QE    PHE   45   4.94 +/- 1.81  93.574% * 93.6213% (0.45   2.00   9.18) =  99.897%  kept
          HB    VAL   18 - QE    PHE   45  11.11 +/- 0.88   4.735% *  1.4346% (0.69   0.02   0.02) =   0.077%
          HB2   LEU   40 - QE    PHE   45  14.21 +/- 0.55   0.597% *  1.7444% (0.84   0.02   0.02) =   0.012%
          HB3   ARG+  54 - QE    PHE   45  15.95 +/- 0.54   0.305% *  1.9279% (0.92   0.02   0.02) =   0.007%
          HB2   LEU   67 - QE    PHE   45  14.26 +/- 0.84   0.578% *  0.8586% (0.41   0.02   0.02) =   0.006%
          HB3   GLU-  14 - QE    PHE   45  18.84 +/- 1.69   0.211% *  0.4133% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.24 A violated in 5 structures by 0.64 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.229, support = 1.89, residual support = 9.06:
        T HB2   MET   96 - QE    PHE   45   5.21 +/- 1.64  79.084% * 81.2848% (0.22 10.00   1.90   9.18) =  98.526%  kept
          HB3   ASP-  76 - QE    PHE   45   9.12 +/- 0.76   5.467% * 16.3880% (0.73  1.00   1.18   0.44) =   1.373%  kept
        T HB3   PHE   72 - QE    PHE   45   9.24 +/- 1.01   7.086% *  0.6717% (0.18 10.00   0.02   0.02) =   0.073%
          HG3   MET   92 - QE    PHE   45  10.22 +/- 1.53   2.750% *  0.3702% (0.97  1.00   0.02   0.02) =   0.016%
          QG    GLN   90 - QE    PHE   45  10.46 +/- 1.54   3.976% *  0.0854% (0.22  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  29 - QE    PHE   45  13.01 +/- 0.96   0.781% *  0.3440% (0.90  1.00   0.02   0.02) =   0.004%
          HB2   ASP- 105 - QE    PHE   45  12.58 +/- 1.38   0.386% *  0.3541% (0.92  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QE    PHE   45  13.67 +/- 1.02   0.267% *  0.2018% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  17.29 +/- 0.73   0.081% *  0.2481% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.86 +/- 1.59   0.122% *  0.0519% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 5 structures by 0.46 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 81.0:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  92.967% * 99.8696% (0.53  10.0 10.00   1.00  80.97) =  99.990%  kept
          HZ3   TRP   27 - QE    PHE   45   4.54 +/- 1.70   7.033% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.010%
    Distance limit 4.17 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 = 3.63, residual support = 81.0:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.63  80.97) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  14.01 +/- 1.36   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.32 +/- 1.71   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  16.91 +/- 2.01   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.8, support = 2.0, residual support = 9.18:
          HB3   MET   96 - QD    PHE   45   5.97 +/- 0.93  92.165% * 96.5071% (0.80   2.00   9.18) =  99.958%  kept
          HB    VAL   18 - QD    PHE   45  10.39 +/- 0.76   5.576% *  0.4112% (0.34   0.02   0.02) =   0.026%
          HB2   LEU   40 - QD    PHE   45  14.89 +/- 0.46   0.557% *  1.2055% (1.00   0.02   0.02) =   0.008%
          HB3   ARG+  54 - QD    PHE   45  13.82 +/- 0.56   0.775% *  0.7312% (0.61   0.02   0.02) =   0.006%
          HB2   LEU   67 - QD    PHE   45  14.02 +/- 0.82   0.751% *  0.1860% (0.15   0.02   0.02) =   0.002%
          HB3   GLU-  14 - QD    PHE   45  18.81 +/- 1.41   0.164% *  0.5868% (0.49   0.02   0.02) =   0.001%
          HG3   MET   11 - QD    PHE   45  28.34 +/- 1.15   0.011% *  0.3721% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 6 structures by 0.69 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.876, support = 1.92, residual support = 7.62:
          HB2   MET   96 - QD    PHE   45   6.42 +/- 0.77  63.555% * 53.0309% (0.87   2.00   9.18) =  82.065%  kept
          HB3   ASP-  76 - QD    PHE   45   8.13 +/- 0.74  16.306% * 44.9007% (0.92   1.59   0.44) =  17.827%  kept
          HG3   MET   92 - QD    PHE   45   8.64 +/- 1.24  14.412% *  0.2085% (0.34   0.02   0.02) =   0.073%
          HB2   ASP- 105 - QD    PHE   45  12.60 +/- 0.86   1.141% *  0.4439% (0.73   0.02   0.02) =   0.012%
          HB2   GLU-  25 - QD    PHE   45  11.97 +/- 1.06   2.453% *  0.1700% (0.28   0.02   0.02) =   0.010%
          HB    VAL   70 - QD    PHE   45  14.06 +/- 0.72   0.689% *  0.2741% (0.45   0.02   0.02) =   0.005%
          QG    GLN   17 - QD    PHE   45  14.12 +/- 0.86   0.711% *  0.2294% (0.38   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QD    PHE   45  14.51 +/- 0.76   0.614% *  0.1524% (0.25   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QD    PHE   45  18.54 +/- 0.68   0.121% *  0.5900% (0.97   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 6 structures by 0.68 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.06, residual support = 81.0:
      O T HB3   PHE   45 - QD    PHE   45   2.34 +/- 0.11  99.924% * 99.5701% (0.80  10.0 10.00   5.06  80.97) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45  10.67 +/- 2.15   0.025% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.80 +/- 1.08   0.045% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.62 +/- 1.33   0.003% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.83 +/- 0.77   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.20 +/- 1.04   0.002% *  0.0557% (0.45   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.35, residual support = 81.0:
      O T HB2   PHE   45 - QD    PHE   45   2.64 +/- 0.12  99.887% * 99.8423% (0.97  10.0 10.00   4.35  80.97) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.89 +/- 0.94   0.100% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.29 +/- 1.65   0.012% *  0.1032% (1.00   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 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.63 +/- 0.85  97.806% * 93.8952% (0.69   2.96  27.19) =  99.988%  kept
          QB    SER   48 - QD    PHE   45   9.59 +/- 0.68   0.759% *  0.7403% (0.80   0.02   0.02) =   0.006%
          QB    SER   85 - QD    PHE   45  11.74 +/- 2.26   0.280% *  0.8745% (0.95   0.02   0.02) =   0.003%
          HA    ALA   88 - QD    PHE   45  11.28 +/- 1.96   0.761% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.07 +/- 1.19   0.210% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD    PHE   45  15.79 +/- 0.73   0.032% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.91 +/- 0.65   0.054% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.64 +/- 0.60   0.018% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.02 +/- 0.84   0.012% *  0.8922% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.30 +/- 1.26   0.040% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.97 +/- 1.07   0.011% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  17.40 +/- 0.94   0.017% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.34, residual support = 20.3:
          HA    ASP-  44 - QD    PHE   45   2.87 +/- 0.63  98.334% * 93.5993% (0.34   4.34  20.26) =  99.994%  kept
          HB    THR   77 - QD    PHE   45   6.42 +/- 0.79   1.379% *  0.3516% (0.28   0.02   8.71) =   0.005%
          HA    ASP-  86 - QD    PHE   45  12.46 +/- 2.43   0.037% *  1.2394% (0.98   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   45  11.64 +/- 2.83   0.173% *  0.1951% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   45  12.37 +/- 2.29   0.046% *  0.3516% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  15.46 +/- 0.59   0.007% *  1.0562% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  12.80 +/- 0.56   0.022% *  0.2502% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.22 +/- 0.88   0.002% *  1.2617% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.09 +/- 1.25   0.000% *  1.2203% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  27.74 +/- 1.38   0.000% *  0.4746% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.06, residual support = 81.0:
          HA    PHE   45 - QD    PHE   45   3.01 +/- 0.41  99.378% * 96.8528% (0.25   5.06  80.97) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   7.53 +/- 0.59   0.568% *  0.3828% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  11.01 +/- 0.39   0.048% *  1.2293% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.94 +/- 1.25   0.005% *  1.5352% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.46 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 = 5.58, residual support = 74.6:
          HN    PHE   45 - QD    PHE   45   2.21 +/- 0.52  86.615% * 56.5642% (0.45   5.72  80.97) =  89.541%  kept
          HN    ASP-  44 - QD    PHE   45   3.95 +/- 0.58  13.334% * 42.9183% (0.45   4.34  20.26) =  10.459%  kept
          HN    GLU-  25 - QD    PHE   45   9.47 +/- 0.95   0.031% *  0.2146% (0.49   0.02   0.02) =   0.000%
          HN    ALA  110 - QD    PHE   45   9.73 +/- 1.98   0.020% *  0.3029% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.43 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 = 81.0:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.993% * 99.7606% (0.98  10.0   1.00  80.97) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  10.90 +/- 0.78   0.007% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.72 +/- 1.13   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.505, support = 4.68, residual support = 69.1:
          HN    TRP   49 - HD1   TRP   49   2.99 +/- 0.65  87.895% * 33.4428% (0.38   4.94  87.20) =  78.605%  kept
          HN    CYS   50 - HD1   TRP   49   4.68 +/- 0.87  12.060% * 66.3383% (0.98   3.75   2.51) =  21.395%  kept
          HN    VAL   83 - HD1   TRP   49  13.68 +/- 2.47   0.045% *  0.2189% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 2.3, residual support = 87.2:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.30  87.20) = 100.000%  kept
    Distance limit 4.11 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 = 87.2:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  87.20) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  19.65 +/- 0.69   0.000% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.58 +/- 2.15   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 87.2:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  87.20) = 100.000%  kept
    Distance limit 5.10 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 = 87.2:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  87.20) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  25.96 +/- 1.39   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.901, support = 1.35, residual support = 3.25:
          QD1   ILE   89 - HZ    PHE   45   8.09 +/- 2.87  40.444% * 51.2649% (0.84   1.50   4.69) =  55.213%  kept
          QG2   VAL   83 - HZ    PHE   45   8.09 +/- 2.75  34.641% * 48.0798% (0.99   1.19   1.48) =  44.352%  kept
          QD2   LEU   31 - HZ    PHE   45   8.34 +/- 0.72  24.915% *  0.6553% (0.80   0.02   0.02) =   0.435%
    Distance limit 5.31 A violated in 7 structures by 1.49 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.65, residual support = 87.2:
      O T HB2   TRP   49 - HD1   TRP   49   3.58 +/- 0.46  99.511% * 99.5547% (0.65  10.0 10.00   4.65  87.20) = 100.000%  kept
          HA    ALA   84 - HD1   TRP   49  10.98 +/- 2.03   0.399% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  13.63 +/- 1.43   0.053% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  15.88 +/- 2.57   0.018% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  15.78 +/- 1.56   0.016% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  24.03 +/- 1.64   0.001% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  25.34 +/- 1.71   0.001% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.65, residual support = 87.2:
      O T HB3   TRP   49 - HD1   TRP   49   3.09 +/- 0.48  99.994% * 99.9191% (0.90  10.0 10.00   4.65  87.20) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  18.22 +/- 1.71   0.006% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.56, residual support = 14.6:
          QB    ALA   47 - HD1   TRP   49   3.88 +/- 0.82  99.948% * 98.5701% (0.84   2.56  14.63) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.91 +/- 0.78   0.020% *  0.6700% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.09 +/- 1.24   0.021% *  0.4136% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  18.44 +/- 2.91   0.011% *  0.3463% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 0.533, support = 0.739, residual support = 1.12:
          HB3   GLN   90 - HZ2   TRP   49   4.23 +/- 2.15  86.872% * 27.4933% (0.45  1.00   0.75   1.04) =  79.773%  kept
          HB3   PRO   52 - HZ2   TRP   49   9.54 +/- 3.00  12.222% * 49.4916% (0.87  1.00   0.70   1.42) =  20.204%  kept
          QB    LYS+  81 - HZ2   TRP   49  11.25 +/- 2.39   0.644% *  0.6137% (0.38  1.00   0.02   0.02) =   0.013%
          HG2   ARG+  54 - HZ2   TRP   49  12.42 +/- 1.64   0.220% *  1.1233% (0.69  1.00   0.02   0.02) =   0.008%
        T HG    LEU  123 - HZ2   TRP   49  27.37 +/- 1.48   0.001% * 14.1850% (0.87 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  17.23 +/- 1.00   0.024% *  0.5578% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  24.03 +/- 0.80   0.003% *  1.0579% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  24.39 +/- 0.96   0.003% *  0.9919% (0.61  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.82 +/- 1.58   0.003% *  0.7332% (0.45  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  25.71 +/- 0.83   0.002% *  1.1875% (0.73  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  23.43 +/- 1.09   0.003% *  0.4547% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.66 +/- 1.87   0.002% *  0.8604% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  30.84 +/- 1.59   0.001% *  1.2497% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.6:
          QB    ALA   47 - HZ2   TRP   49   4.05 +/- 0.70  99.857% * 98.0051% (0.69   2.03  14.63) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  17.93 +/- 3.26   0.096% *  0.3498% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  16.28 +/- 0.86   0.029% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.62 +/- 1.15   0.018% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.633, residual support = 1.29:
          HG2   PRO   52 - HH2   TRP   49   7.31 +/- 2.98  39.571% * 71.5785% (0.34   0.70   1.42) =  90.386%  kept
          HG2   MET   92 - HH2   TRP   49   6.85 +/- 2.47  44.722% *  5.2173% (0.87   0.02   0.02) =   7.446%  kept
          HB2   GLU-  79 - HH2   TRP   49  12.99 +/- 4.06  15.413% *  4.3676% (0.73   0.02   0.02) =   2.148%  kept
          QG    GLU- 114 - HH2   TRP   49  16.97 +/- 2.20   0.081% *  4.8162% (0.80   0.02   0.02) =   0.012%
          HB2   ASP-  44 - HH2   TRP   49  15.53 +/- 1.50   0.162% *  1.0534% (0.18   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HH2   TRP   49  22.76 +/- 3.93   0.037% *  1.1903% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - HH2   TRP   49  27.19 +/- 2.08   0.006% *  1.4998% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  35.25 +/- 2.72   0.001% *  5.2173% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  27.11 +/- 2.21   0.006% *  0.9280% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  35.66 +/- 2.63   0.001% *  4.1316% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.649, support = 1.15, residual support = 1.22:
          HB3   GLN   90 - HH2   TRP   49   5.27 +/- 2.56  78.921% * 18.3917% (0.45   0.75   1.04) =  51.945%  kept
          HB3   PRO   52 - HH2   TRP   49   9.14 +/- 3.27  17.943% * 74.7525% (0.87   1.58   1.42) =  48.001%  kept
          QB    LYS+  81 - HH2   TRP   49  12.23 +/- 2.69   2.449% *  0.4106% (0.38   0.02   0.02) =   0.036%
          HG2   ARG+  54 - HH2   TRP   49  12.20 +/- 2.02   0.606% *  0.7514% (0.69   0.02   0.02) =   0.016%
          QB    LYS+ 106 - HH2   TRP   49  17.34 +/- 1.49   0.046% *  0.3732% (0.34   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HH2   TRP   49  24.01 +/- 1.19   0.006% *  0.7077% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  24.71 +/- 1.47   0.005% *  0.6635% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  24.29 +/- 2.06   0.006% *  0.4904% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  25.96 +/- 1.30   0.004% *  0.7944% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  27.15 +/- 1.60   0.003% *  0.9489% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  23.45 +/- 1.25   0.007% *  0.3042% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.21 +/- 2.34   0.003% *  0.5755% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.99 +/- 1.79   0.001% *  0.8360% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.22, residual support = 20.2:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  99.746% * 99.2903% (0.25  10.0   2.22  20.16) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.48 +/- 0.71   0.177% *  0.2415% (0.61   1.0   0.02   3.93) =   0.000%
          HB3   CYS   53 - QD    PHE   55   8.31 +/- 0.32   0.031% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   55   8.86 +/- 1.28   0.047% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.80 +/- 0.59   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.838, support = 1.93, residual support = 19.9:
          HA    PHE   55 - QD    PHE   55   2.70 +/- 0.34  98.297% * 52.5381% (0.84   1.94  20.16) =  98.533%  kept
          HA    ALA  110 - QD    PHE   55   6.41 +/- 1.64   1.660% * 46.3060% (1.00   1.43   0.28) =   1.467%  kept
          HA    VAL  107 - QD    PHE   55  11.01 +/- 0.67   0.030% *  0.2217% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.74 +/- 1.18   0.003% *  0.6274% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.64 +/- 1.78   0.008% *  0.1447% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.22 +/- 0.78   0.002% *  0.1621% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.646, support = 1.01, residual support = 1.65:
          QB    ALA  110 - QD    PHE   55   4.73 +/- 1.40  80.295% * 24.5060% (0.80  1.00   0.43   0.28) =  68.618%  kept
          HB3   LEU  115 - QD    PHE   55   6.82 +/- 1.20  17.792% * 50.3035% (0.31  1.00   2.29   4.69) =  31.211%  kept
        T QG    LYS+  66 - QD    PHE   55  13.65 +/- 1.02   0.199% * 13.4701% (0.95 10.00   0.02   0.02) =   0.094%
          QB    ALA   61 - QD    PHE   55   9.14 +/- 0.41   1.421% *  1.3742% (0.97  1.00   0.02   0.02) =   0.068%
        T HG    LEU   67 - QD    PHE   55  18.32 +/- 1.22   0.031% *  3.1702% (0.22 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD    PHE   55  18.59 +/- 0.73   0.022% *  1.4240% (1.00  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  15.84 +/- 1.18   0.100% *  0.2818% (0.20  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  19.18 +/- 0.99   0.024% *  1.1402% (0.80  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    PHE   55  21.77 +/- 2.07   0.015% *  1.1894% (0.84  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   55  21.27 +/- 0.81   0.011% *  1.0340% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  16.90 +/- 0.72   0.047% *  0.2494% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  20.14 +/- 1.91   0.023% *  0.4395% (0.31  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.02 +/- 0.84   0.016% *  0.4395% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.60 +/- 1.37   0.003% *  0.9781% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 1 structures by 0.10 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.26, residual support = 4.69:
          QD2   LEU  115 - QD    PHE   55   5.84 +/- 0.87  91.210% * 89.3742% (0.87  1.00   2.26   4.69) =  99.904%  kept
          QD1   LEU   63 - QD    PHE   55   9.57 +/- 0.63   5.796% *  0.9078% (1.00  1.00   0.02   0.02) =   0.064%
        T QD2   LEU   80 - QD    PHE   55  17.65 +/- 1.30   0.165% *  7.5996% (0.84 10.00   0.02   0.02) =   0.015%
          QD2   LEU   63 - QD    PHE   55  11.21 +/- 0.71   2.136% *  0.4787% (0.53  1.00   0.02   0.02) =   0.013%
          QD1   LEU   73 - QD    PHE   55  16.99 +/- 0.76   0.180% *  0.9078% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD    PHE   55  17.48 +/- 0.77   0.154% *  0.5518% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   55  17.81 +/- 2.51   0.358% *  0.1801% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.01 A violated in 12 structures by 0.94 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.68 +/- 1.40  99.721% * 72.5341% (0.99   0.02   0.02) =  99.894%  kept
          HB3   TRP   49 - QE    PHE   95  14.51 +/- 1.43   0.279% * 27.4659% (0.38   0.02   0.02) =   0.106%
    Distance limit 4.95 A violated in 5 structures by 0.47 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 = 0.31, support = 2.6, residual support = 41.4:
          HB    VAL  107 - QE    PHE   95   4.48 +/- 0.77  76.659% * 37.9027% (0.28  1.00   2.86  45.63) =  90.566%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.21 +/- 1.00   3.694% * 45.7816% (0.57 10.00   0.17   0.02) =   5.271%  kept
          HB3   PHE   45 - QE    PHE   95   6.84 +/- 1.35  10.370% *  7.7219% (0.69  1.00   0.24   1.89) =   2.496%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.73 +/- 2.15   8.120% *  6.5513% (0.69 10.00   0.02   0.02) =   1.658%  kept
          HG3   MET   96 - QE    PHE   95   9.87 +/- 0.79   1.105% *  0.1887% (0.20  1.00   0.02  11.99) =   0.007%
          HB3   ASP-  86 - QE    PHE   95  17.22 +/- 2.60   0.040% *  0.9022% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.52 +/- 0.96   0.011% *  0.9516% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.534, support = 0.741, residual support = 1.08:
          QG1   ILE   56 - QE    PHE   95   2.44 +/- 1.35  94.886% * 41.1115% (0.53   0.75   1.11) =  98.016%  kept
          QD    LYS+ 106 - QE    PHE   95   9.10 +/- 0.85   1.526% * 48.7849% (1.00   0.47   0.02) =   1.870%  kept
          HB2   LEU   73 - QE    PHE   95   9.71 +/- 1.33   0.621% *  1.9306% (0.92   0.02   0.02) =   0.030%
          QD    LYS+  99 - QE    PHE   95  14.10 +/- 1.47   0.528% *  2.0914% (1.00   0.02   0.02) =   0.028%
          HB3   LYS+  99 - QE    PHE   95  14.63 +/- 1.79   0.838% *  0.8598% (0.41   0.02   0.02) =   0.018%
          HG3   PRO   93 - QE    PHE   95   6.21 +/- 1.60   0.806% *  0.7849% (0.38   0.02   0.02) =   0.016%
          HD2   LYS+ 111 - QE    PHE   95   9.99 +/- 1.99   0.199% *  1.4366% (0.69   0.02   0.02) =   0.007%
          HB3   MET   92 - QE    PHE   95   8.20 +/- 1.33   0.170% *  1.6747% (0.80   0.02   0.02) =   0.007%
          HB2   LEU  123 - QE    PHE   95  12.73 +/- 1.29   0.204% *  0.8598% (0.41   0.02   0.02) =   0.004%
          QD    LYS+ 102 - QE    PHE   95  16.51 +/- 1.70   0.223% *  0.4656% (0.22   0.02   0.02) =   0.003%
    Distance limit 5.37 A violated in 1 structures by 0.07 A, kept.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.681, support = 2.6, residual support = 45.1:
          QG2   VAL  107 - QE    PHE   95   3.25 +/- 1.04  93.149% * 73.6101% (0.69  1.00   2.61  45.63) =  98.419%  kept
          QG2   THR   94 - QE    PHE   95   5.96 +/- 0.41   4.615% * 23.6303% (0.34  1.00   1.69  14.45) =   1.565%  kept
          HG2   LYS+ 121 - QE    PHE   95  12.75 +/- 1.73   1.144% *  0.3677% (0.45  1.00   0.02   0.02) =   0.006%
          HG13  ILE  103 - QE    PHE   95  12.22 +/- 1.24   0.437% *  0.8184% (1.00  1.00   0.02   0.02) =   0.005%
        T QB    ALA   20 - QE    PHE   95  11.40 +/- 0.91   0.161% *  1.2656% (0.15 10.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - QE    PHE   95   8.75 +/- 1.49   0.494% *  0.3078% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 5.43 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 = 0.928, support = 1.63, residual support = 3.79:
          QD1   LEU   63 - QE    PHE   95   4.03 +/- 0.91  59.749% * 31.5652% (1.00  1.00   1.15   3.42) =  50.853%  kept
          QD2   LEU  115 - QE    PHE   95   4.71 +/- 0.87  33.921% * 52.0467% (0.87  1.00   2.18   4.20) =  47.603%  kept
          QD2   LEU   63 - QE    PHE   95   6.18 +/- 1.01   5.202% * 10.7953% (0.53  1.00   0.75   3.42) =   1.514%  kept
        T QD2   LEU   80 - QE    PHE   95  13.06 +/- 2.68   0.156% *  4.6003% (0.84 10.00   0.02   0.02) =   0.019%
          QD1   LEU   73 - QE    PHE   95   9.31 +/- 0.99   0.544% *  0.5495% (1.00  1.00   0.02   0.02) =   0.008%
          QD1   LEU  104 - QE    PHE   95  11.64 +/- 1.38   0.120% *  0.3341% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  13.13 +/- 2.58   0.308% *  0.1090% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 1.48, residual support = 4.2:
        T QD1   LEU  115 - QE    PHE   95   3.58 +/- 1.56  90.326% * 98.0566% (0.34 10.00   1.48   4.20) =  99.853%  kept
          QB    ALA   64 - QE    PHE   95   7.11 +/- 1.12   6.890% *  1.8665% (0.57  1.00   0.17   0.02) =   0.145%
          QG1   VAL   75 - QE    PHE   95   8.03 +/- 1.02   2.784% *  0.0769% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.99 A violated in 1 structures by 0.21 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 72.1:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.660% * 99.6251% (0.84  10.0   1.13  72.13) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   4.83 +/- 0.51   1.338% *  0.0325% (0.15   1.0   0.02  11.43) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.49 +/- 0.62   0.001% *  0.1532% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  19.32 +/- 2.74   0.000% *  0.1892% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 72.1:
      O T HB3   PHE   60 - QD    PHE   60   2.65 +/- 0.12  99.774% * 99.7227% (0.73  10.0 10.00   3.84  72.13) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.11 +/- 1.24   0.170% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.74 +/- 0.68   0.009% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.86 +/- 1.02   0.030% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.61 +/- 0.52   0.015% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  20.12 +/- 1.44   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  18.69 +/- 2.05   0.001% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.939, support = 1.1, residual support = 3.29:
          QD1   ILE   56 - QD    PHE   60   6.00 +/- 1.33  67.651% * 45.6610% (0.99  1.00   0.99   3.84) =  66.999%  kept
          QD2   LEU   73 - QD    PHE   60   7.40 +/- 0.79  29.513% * 51.4222% (0.84  1.00   1.32   2.19) =  32.917%  kept
        T QG1   VAL   41 - QD    PHE   60  11.15 +/- 0.51   2.101% *  1.6346% (0.18 10.00   0.02   0.02) =   0.075%
          HG3   LYS+ 121 - QD    PHE   60  14.61 +/- 0.99   0.406% *  0.6411% (0.69  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   60  15.24 +/- 1.02   0.329% *  0.6411% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 4.51 A violated in 13 structures by 1.15 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.73, residual support = 2.89:
          QB    ALA   64 - QD    PHE   60   3.58 +/- 0.79 100.000% *100.0000% (0.95   1.73   2.89) = 100.000%  kept
    Distance limit 4.43 A violated in 0 structures by 0.10 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   3.03 +/- 0.60  99.805% * 99.3273% (0.97   4.09  62.62) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97   9.80 +/- 0.81   0.168% *  0.4852% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  13.17 +/- 0.75   0.027% *  0.0995% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  24.19 +/- 1.72   0.001% *  0.0880% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 0.684, support = 0.833, residual support = 1.07:
          HA    THR  118 - QD    PHE   97   5.98 +/- 1.00  60.041% * 37.7944% (0.61   0.75   1.67) =  50.866%  kept
          HA    ILE  119 - QD    PHE   97   6.54 +/- 1.25  37.504% * 58.4063% (0.76   0.92   0.45) =  49.101%  kept
          HA2   GLY  109 - QD    PHE   97  12.39 +/- 0.43   1.203% *  0.5129% (0.31   0.02   0.02) =   0.014%
          HA    VAL   75 - QD    PHE   97  14.19 +/- 0.75   0.467% *  0.8742% (0.53   0.02   0.02) =   0.009%
          HD3   PRO   58 - QD    PHE   97  12.97 +/- 1.14   0.611% *  0.4620% (0.28   0.02   0.02) =   0.006%
          HA    ALA   84 - QD    PHE   97  20.08 +/- 1.92   0.136% *  0.8088% (0.49   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD    PHE   97  21.63 +/- 0.57   0.038% *  1.1414% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 5 structures by 0.72 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   2.44 +/- 0.13  97.722% * 99.6874% (0.90  10.0 10.00   2.44  62.62) =  99.998%  kept
          QE    LYS+ 106 - QD    PHE   97   5.90 +/- 1.13   1.662% *  0.1051% (0.95   1.0  1.00   0.02  10.10) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.51 +/- 1.30   0.565% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.32 +/- 1.39   0.044% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.17 +/- 0.83   0.007% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 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   2.45 +/- 0.16  99.969% * 99.7112% (1.00  10.0 10.00   2.74  62.62) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.68 +/- 0.79   0.017% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  11.75 +/- 1.03   0.009% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  13.49 +/- 1.41   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.60 +/- 1.51   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.822, support = 0.992, residual support = 2.39:
          QG1   VAL  107 - QD    PHE   97   4.38 +/- 0.70  93.533% * 61.3663% (0.84   0.99   2.46) =  96.829%  kept
          HG13  ILE  119 - QD    PHE   97   7.66 +/- 1.44   5.331% * 35.0189% (0.41   1.14   0.45) =   3.150%  kept
          QG1   VAL   24 - QD    PHE   97  12.51 +/- 1.41   0.578% *  1.4885% (1.00   0.02   0.02) =   0.015%
          HB3   LEU   31 - QD    PHE   97  12.77 +/- 1.15   0.476% *  0.6673% (0.45   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - QD    PHE   97  14.84 +/- 1.43   0.082% *  1.4590% (0.98   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 2 structures by 0.19 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 3.18, residual support = 16.7:
          HB2   LEU  104 - QD    PHE   97   4.40 +/- 0.72  82.578% * 62.8160% (0.69   3.30  17.52) =  95.018%  kept
          QD1   ILE  119 - QD    PHE   97   7.19 +/- 1.37   6.658% * 29.9814% (0.95   1.14   0.45) =   3.657%  kept
          QG2   VAL  108 - QD    PHE   97   6.83 +/- 0.61  10.527% *  6.8662% (0.53   0.47   0.02) =   1.324%  kept
          HB    VAL   75 - QD    PHE   97  12.52 +/- 1.06   0.236% *  0.3363% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.197, support = 1.29, residual support = 1.67:
          QG2   THR  118 - QD    PHE   97   2.81 +/- 0.94  90.394% * 97.3972% (0.20   1.29   1.67) =  99.717%  kept
          QG2   VAL   70 - QD    PHE   97   4.87 +/- 1.43   9.606% *  2.6028% (0.34   0.02   0.02) =   0.283%
    Distance limit 4.87 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    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   8.42 +/- 1.57  93.804% * 85.0969% (1.00   0.02   0.02) =  98.856%  kept
          QB    ALA   47 - QD    PHE   97  13.95 +/- 0.48   6.196% * 14.9031% (0.18   0.02   0.02) =   1.144%  kept
    Distance limit 5.25 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.94, residual support = 29.6:
          HN    LEU  115 - QD    PHE   59   5.53 +/- 0.76  88.285% * 99.0660% (0.97   2.94  29.65) =  99.960%  kept
          HN    PHE   97 - QD    PHE   59   9.76 +/- 0.84   3.503% *  0.6736% (0.97   0.02   0.02) =   0.027%
          HN    ASP- 113 - QD    PHE   59   8.31 +/- 0.64   8.201% *  0.1381% (0.20   0.02   0.02) =   0.013%
          HN    ALA   12 - QD    PHE   59  25.30 +/- 0.86   0.012% *  0.1222% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 4 structures by 0.37 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.95, residual support = 57.4:
          HA    PHE   59 - QD    PHE   59   2.93 +/- 0.46  89.846% * 77.9631% (0.61   3.01  58.43) =  97.347%  kept
          HA    ILE   56 - QD    PHE   59   4.45 +/- 0.47   9.827% * 19.4038% (0.61   0.75  20.71) =   2.650%  kept
          HA    ASP- 113 - QD    PHE   59   8.33 +/- 0.59   0.256% *  0.8512% (1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QD    PHE   59  10.33 +/- 0.96   0.061% *  0.4153% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  14.44 +/- 0.76   0.009% *  0.6831% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.84 +/- 1.14   0.001% *  0.5519% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  21.28 +/- 2.10   0.001% *  0.1316% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 1.47, residual support = 15.9:
        T HA    ILE  119 - QD    PHE   59   4.66 +/- 0.44  91.445% * 66.4873% (1.00 10.00   1.50  16.34) =  96.290%  kept
        T HA    THR  118 - QD    PHE   59   7.26 +/- 0.45   7.039% * 33.2699% (0.95 10.00   0.79   5.13) =   3.709%  kept
          HA2   GLY  109 - QD    PHE   59  10.16 +/- 1.29   1.224% *  0.0610% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QD    PHE   59  16.22 +/- 0.71   0.058% *  0.0871% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.40 +/- 1.09   0.208% *  0.0176% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  18.68 +/- 1.34   0.026% *  0.0771% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.4:
      O   HB2   PHE   59 - QD    PHE   59   2.44 +/- 0.09  99.742% * 99.6982% (0.97  10.0   2.71  58.43) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.29 +/- 0.61   0.172% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   8.96 +/- 0.82   0.046% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.92 +/- 0.82   0.025% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  12.18 +/- 0.82   0.007% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.26 +/- 0.71   0.007% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 58.4:
      O   HB3   PHE   59 - QD    PHE   59   2.47 +/- 0.16  99.999% * 99.9680% (0.97  10.0   3.15  58.43) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.79 +/- 0.37   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.893, support = 2.71, residual support = 29.0:
          HB2   PRO   58 - QD    PHE   59   6.17 +/- 0.29  51.813% * 67.4709% (0.99   2.95  40.28) =  71.490%  kept
          HB2   GLN  116 - QD    PHE   59   6.37 +/- 0.60  43.771% * 31.8134% (0.65   2.13   0.59) =  28.477%  kept
          HB3   PHE   97 - QD    PHE   59   9.64 +/- 0.98   4.322% *  0.3698% (0.80   0.02   0.02) =   0.033%
          HB2   GLU- 100 - QD    PHE   59  18.57 +/- 0.83   0.070% *  0.2430% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  22.57 +/- 1.39   0.023% *  0.1028% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 1 structures by 0.47 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   3.07 +/- 0.65  99.739% * 99.7160% (0.97 10.00   1.97  20.71) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59   9.98 +/- 0.92   0.168% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.38 +/- 0.82   0.017% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  13.45 +/- 0.59   0.024% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.38 +/- 1.18   0.046% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  17.26 +/- 1.63   0.006% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 0.572, support = 2.48, residual support = 29.6:
          HB3   LEU  115 - QD    PHE   59   3.27 +/- 1.30  60.540% * 71.4232% (0.65   2.37  29.65) =  84.888%  kept
          HG    LEU  115 - QD    PHE   59   3.68 +/- 0.69  34.920% * 21.9858% (0.15   3.06  29.65) =  15.072%  kept
          QB    ALA   61 - QD    PHE   59   6.02 +/- 0.24   1.289% *  0.6388% (0.69   0.02   0.31) =   0.016%
          QG    LYS+  66 - QD    PHE   59   7.73 +/- 1.28   0.632% *  0.8974% (0.97   0.02   0.02) =   0.011%
          QB    ALA  110 - QD    PHE   59   6.99 +/- 1.22   0.672% *  0.4169% (0.45   0.02   0.02) =   0.006%
          QB    ALA  120 - QD    PHE   59   7.38 +/- 0.67   1.780% *  0.1435% (0.15   0.02   0.02) =   0.005%
          HB3   LEU   67 - QD    PHE   59  10.58 +/- 0.97   0.050% *  0.7767% (0.84   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  10.46 +/- 1.07   0.065% *  0.4892% (0.53   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  12.30 +/- 1.58   0.019% *  0.9278% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  11.78 +/- 1.00   0.021% *  0.6016% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.38 +/- 1.02   0.007% *  0.3490% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.17 +/- 1.23   0.002% *  0.8974% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  19.55 +/- 2.78   0.002% *  0.4526% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.485, support = 2.25, residual support = 13.9:
        T HG13  ILE  119 - QD    PHE   59   2.91 +/- 0.53  71.834% * 64.3256% (0.41 10.00   2.61  16.34) =  82.489%  kept
        T QG1   VAL  107 - QD    PHE   59   3.94 +/- 0.94  27.791% * 35.2944% (0.84 10.00   0.54   2.30) =  17.510%  kept
          HD3   LYS+ 112 - QD    PHE   59   8.37 +/- 1.38   0.368% *  0.1534% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD    PHE   59  14.52 +/- 1.45   0.006% *  0.1565% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  19.19 +/- 1.37   0.001% *  0.0701% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.92, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.67 +/- 1.15  76.950% * 60.0043% (0.98   0.02   0.02) =  90.416%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.29 +/- 0.78  16.309% * 22.9752% (0.38   0.02   0.02) =   7.338%  kept
          HB3   LEU  104 - QD    PHE   59  12.10 +/- 0.79   6.740% * 17.0205% (0.28   0.02   0.02) =   2.247%  kept
    Distance limit 5.26 A violated in 18 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 4.64, residual support = 28.6:
          QD2   LEU  115 - QD    PHE   59   2.02 +/- 0.47  84.487% * 80.2873% (0.98   4.77  29.65) =  96.327%  kept
          QD1   LEU   63 - QD    PHE   59   2.97 +/- 0.49  13.931% * 18.5547% (0.92   1.17   0.19) =   3.671%  kept
          QD2   LEU   63 - QD    PHE   59   4.39 +/- 0.55   1.572% *  0.1172% (0.34   0.02   0.19) =   0.003%
          QD1   LEU  104 - QD    PHE   59  10.95 +/- 0.82   0.006% *  0.2751% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  11.45 +/- 0.98   0.003% *  0.3171% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  15.75 +/- 2.19   0.001% *  0.3315% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  16.04 +/- 2.19   0.001% *  0.1172% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 29.7:
        T QD1   LEU  115 - QD    PHE   59   2.95 +/- 0.79  97.892% * 99.9042% (0.84 10.00   4.45  29.65) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   6.75 +/- 0.66   1.988% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.07 +/- 0.97   0.120% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 29.6:
        T HA    LEU  115 - QE    PHE   59   3.38 +/- 0.59  97.894% * 91.7299% (0.73 10.00   1.50  29.65) =  99.887%  kept
          HA    GLU- 114 - QE    PHE   59   7.42 +/- 0.51   1.378% *  7.3455% (1.00  1.00   0.87   0.02) =   0.113%
        T HA    ARG+  54 - QE    PHE   59  11.02 +/- 0.59   0.141% *  0.3333% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   8.62 +/- 1.02   0.553% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  15.72 +/- 1.43   0.013% *  0.1651% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  16.79 +/- 1.65   0.009% *  0.1461% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  17.46 +/- 1.74   0.008% *  0.1157% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  19.43 +/- 1.64   0.004% *  0.1349% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 1.71, residual support = 5.13:
        T HB    THR  118 - QE    PHE   59   3.49 +/- 0.60  99.951% * 99.7229% (0.95 10.00   1.71   5.13) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  16.72 +/- 1.63   0.013% *  0.0748% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  15.80 +/- 1.59   0.017% *  0.0553% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  18.08 +/- 1.59   0.008% *  0.0748% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.29 +/- 1.01   0.005% *  0.0507% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.68 +/- 3.45   0.005% *  0.0216% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.789, support = 0.75, residual support = 2.36:
          HB    VAL  107 - QE    PHE   59   3.39 +/- 1.30  87.096% * 76.3787% (0.80   0.75   2.30) =  98.260%  kept
          HB3   ASP-  62 - QE    PHE   59   6.78 +/- 1.07   6.701% * 15.2279% (0.14   0.88   6.61) =   1.507%  kept
          QE    LYS+ 112 - QE    PHE   59   8.14 +/- 1.80   6.025% *  2.5380% (1.00   0.02   0.02) =   0.226%
          HB3   PHE   45 - QE    PHE   59  10.17 +/- 1.27   0.169% *  2.5380% (1.00   0.02   0.02) =   0.006%
          HB3   ASP-  86 - QE    PHE   59  20.33 +/- 2.70   0.005% *  1.1404% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  21.86 +/- 1.68   0.002% *  1.5428% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  19.90 +/- 1.67   0.003% *  0.6343% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 3.73, residual support = 16.3:
          HG12  ILE  119 - QE    PHE   59   2.49 +/- 0.51  99.246% * 95.7356% (0.73   3.73  16.34) =  99.994%  kept
          HB2   ASP-  44 - QE    PHE   59   6.52 +/- 1.84   0.659% *  0.7010% (0.99   0.02   0.02) =   0.005%
          HB3   PHE   72 - QE    PHE   59   8.72 +/- 1.54   0.080% *  0.7057% (1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   59  14.68 +/- 1.11   0.004% *  0.6690% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.76 +/- 1.62   0.008% *  0.1764% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.51 +/- 1.20   0.002% *  0.6933% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  17.54 +/- 1.22   0.001% *  0.7057% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.38 +/- 1.74   0.000% *  0.2413% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  24.29 +/- 1.25   0.000% *  0.3721% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.624, support = 2.81, residual support = 9.17:
          QG1   VAL  107 - QE    PHE   59   2.59 +/- 0.87  71.781% * 27.9966% (0.53   2.00   2.30) =  51.041%  kept
          HG13  ILE  119 - QE    PHE   59   3.29 +/- 0.68  27.336% * 70.4991% (0.73   3.65  16.34) =  48.947%  kept
          HD3   LYS+ 112 - QE    PHE   59   9.72 +/- 1.61   0.873% *  0.5034% (0.95   0.02   0.02) =   0.011%
          QG1   VAL   24 - QE    PHE   59  13.65 +/- 1.72   0.004% *  0.4616% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  13.17 +/- 1.21   0.004% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.58 +/- 1.84   0.001% *  0.4067% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.795, support = 2.38, residual support = 23.4:
        T QD2   LEU  115 - QE    PHE   59   3.17 +/- 0.78  27.362% * 89.1932% (0.87 10.00   2.94  29.65) =  78.788%  kept
        T QD1   LEU   63 - QE    PHE   59   2.47 +/- 0.74  72.592% *  9.0510% (0.53 10.00   0.33   0.19) =  21.211%  kept
        T QD1   LEU  104 - QE    PHE   59   9.40 +/- 0.90   0.024% *  1.0260% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  10.42 +/- 1.47   0.015% *  0.5410% (0.53 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  15.70 +/- 2.54   0.002% *  0.0786% (0.76  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  15.63 +/- 2.81   0.001% *  0.0922% (0.90  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  12.77 +/- 1.57   0.004% *  0.0180% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.9, residual support = 28.8:
          QD1   LEU  115 - QE    PHE   59   4.23 +/- 0.95  90.341% * 76.6517% (0.45   2.96  29.65) =  97.150%  kept
          QB    ALA   64 - QE    PHE   59   7.10 +/- 0.86   8.809% * 23.0268% (0.45   0.89   0.02) =   2.846%  kept
          QG1   VAL   75 - QE    PHE   59  10.73 +/- 1.37   0.849% *  0.3215% (0.28   0.02   0.02) =   0.004%
    Distance limit 5.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 1.79, residual support = 5.13:
          QG2   THR  118 - QE    PHE   59   3.42 +/- 0.76 100.000% *100.0000% (0.80   1.79   5.13) = 100.000%  kept
    Distance limit 5.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 72.1:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  96.210% * 99.6787% (0.99  10.0   1.13  72.13) =  99.998%  kept
          QE    PHE   59 - QE    PHE   60   6.92 +/- 1.57   3.753% *  0.0494% (0.28   1.0   0.02  19.27) =   0.002%
          HN    LYS+  66 - QE    PHE   60   8.53 +/- 0.86   0.036% *  0.1359% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  16.28 +/- 0.80   0.001% *  0.1359% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.845, support = 2.3, residual support = 7.44:
          HB3   PHE   72 - QE    PHE   60   4.27 +/- 1.39  46.032% * 77.8838% (0.87   2.74   8.93) =  78.112%  kept
          HB2   ASP-  44 - QE    PHE   60   3.82 +/- 0.91  53.414% * 18.8033% (0.76   0.75   2.10) =  21.882%  kept
          HG12  ILE  119 - QE    PHE   60  10.40 +/- 1.27   0.231% *  0.6431% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  11.34 +/- 1.32   0.123% *  0.4244% (0.65   0.02   0.02) =   0.001%
          QG    GLU-  14 - QE    PHE   60  12.42 +/- 1.71   0.084% *  0.5254% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  14.74 +/- 1.44   0.025% *  0.6057% (0.92   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   60  13.55 +/- 1.77   0.034% *  0.3715% (0.57   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   60  13.58 +/- 1.71   0.044% *  0.1461% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  16.38 +/- 1.02   0.009% *  0.4507% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  20.10 +/- 1.61   0.004% *  0.1461% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 1.21, residual support = 2.2:
          HB    VAL   42 - QE    PHE   60   7.26 +/- 1.22  16.074% * 45.0581% (1.00  1.00   1.45   2.88) =  59.192%  kept
          HB3   LEU   73 - QE    PHE   60   7.62 +/- 0.85   6.895% * 39.9686% (0.98  1.00   1.31   2.19) =  22.525%  kept
          HB3   LYS+  74 - QE    PHE   60   5.60 +/- 1.09  54.783% *  2.8980% (0.25  1.00   0.37   0.02) =  12.976%  kept
          HG3   LYS+  65 - QE    PHE   60   8.45 +/- 1.86   8.880% *  6.9929% (1.00  1.00   0.22   0.02) =   5.075%  kept
          HB3   PRO   93 - QE    PHE   60   8.51 +/- 2.02  11.690% *  0.1736% (0.28  1.00   0.02   0.02) =   0.166%
        T QB    ALA   84 - QE    PHE   60  13.60 +/- 1.31   0.202% *  1.5566% (0.25 10.00   0.02   0.02) =   0.026%
          QB    LEU   98 - QE    PHE   60  12.25 +/- 1.18   0.414% *  0.3039% (0.49  1.00   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - QE    PHE   60  14.29 +/- 1.22   0.185% *  0.5763% (0.92  1.00   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - QE    PHE   60  14.30 +/- 1.71   0.178% *  0.5214% (0.84  1.00   0.02   0.02) =   0.008%
          QB    ALA   12 - QE    PHE   60  16.23 +/- 1.47   0.107% *  0.4771% (0.76  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QE    PHE   60  16.26 +/- 0.94   0.080% *  0.6229% (1.00  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QE    PHE   60  12.80 +/- 1.49   0.372% *  0.1093% (0.18  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QE    PHE   60  15.67 +/- 1.94   0.115% *  0.1390% (0.22  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  19.93 +/- 1.71   0.023% *  0.6024% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 5.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.986, residual support = 3.84:
        T QD1   ILE   56 - QE    PHE   60   7.58 +/- 1.51  87.352% * 98.3396% (0.20 10.00   0.99   3.84) =  99.866%  kept
          QD2   LEU  123 - QE    PHE   60  11.81 +/- 1.42  11.394% *  0.9294% (0.92  1.00   0.02   0.02) =   0.123%
          HG3   LYS+ 121 - QE    PHE   60  16.10 +/- 1.31   1.254% *  0.7311% (0.73  1.00   0.02   0.02) =   0.011%
    Distance limit 5.50 A violated in 13 structures by 2.12 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 1.39, residual support = 2.88:
          QB    ALA   64 - QE    PHE   60   3.55 +/- 1.25  80.024% * 59.6135% (0.84   1.29   2.89) =  86.982%  kept
          QG1   VAL   42 - QE    PHE   60   5.32 +/- 1.23  17.874% * 39.8887% (0.34   2.11   2.88) =  12.999%  kept
          QB    ALA   47 - QE    PHE   60   8.63 +/- 0.87   2.102% *  0.4977% (0.45   0.02   0.02) =   0.019%
    Distance limit 5.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.838, support = 1.99, residual support = 4.02:
          HB2   ASP-  44 - QD    PHE   60   3.72 +/- 0.61  77.621% * 39.6997% (0.87   1.67   2.10) =  71.889%  kept
          HB3   PHE   72 - QD    PHE   60   5.01 +/- 0.89  20.740% * 58.0833% (0.76   2.78   8.93) =  28.103%  kept
          HG12  ILE  119 - QD    PHE   60   8.51 +/- 0.86   1.407% *  0.1864% (0.34   0.02   0.02) =   0.006%
          QG    GLU-  15 - QD    PHE   60  12.02 +/- 0.92   0.095% *  0.5170% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  13.58 +/- 1.16   0.042% *  0.4565% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  14.83 +/- 1.02   0.024% *  0.3754% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  12.79 +/- 1.01   0.065% *  0.0957% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  21.09 +/- 1.11   0.003% *  0.4902% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.02 +/- 1.57   0.004% *  0.0957% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 90.8:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.995% * 99.8968% (0.87  10.0   3.02  90.77) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.55 +/- 0.38   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  12.87 +/- 0.68   0.003% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.762, support = 3.15, residual support = 8.88:
          QD    PHE   60 - QD    PHE   72   3.80 +/- 0.72  94.156% * 90.8359% (0.76   3.16   8.93) =  99.486%  kept
          HN    LYS+  66 - QD    PHE   72   6.75 +/- 0.48   5.455% *  8.0836% (0.28   0.77   0.12) =   0.513%  kept
          HE3   TRP   27 - QD    PHE   72  10.54 +/- 0.68   0.329% *  0.1873% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QD    PHE   72  14.27 +/- 0.57   0.052% *  0.1487% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  19.60 +/- 1.58   0.007% *  0.7445% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 2.25, residual support = 10.2:
          QE    PHE   60 - QD    PHE   72   4.02 +/- 1.07  85.987% * 47.2107% (0.18   2.51   8.93) =  86.452%  kept
          HN    LEU   63 - QD    PHE   72   6.08 +/- 0.39  13.667% * 46.5108% (0.80   0.54  18.60) =  13.537%  kept
          HD21  ASN   28 - QD    PHE   72  12.94 +/- 0.30   0.127% *  1.9236% (0.90   0.02   0.02) =   0.005%
          HN    ILE   56 - QD    PHE   72  12.63 +/- 0.59   0.137% *  1.4734% (0.69   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  14.86 +/- 1.49   0.057% *  0.6620% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   72  20.44 +/- 3.30   0.015% *  1.5575% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - QD    PHE   72  19.38 +/- 1.38   0.011% *  0.6620% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.53, residual support = 90.8:
          HN    PHE   72 - QD    PHE   72   2.55 +/- 0.37  99.981% * 99.8208% (0.98   5.53  90.77) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.11 +/- 0.46   0.019% *  0.1792% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 1.89, residual support = 90.8:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.189% * 52.6465% (0.76  10.0 10.00   1.00  90.77) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.804% * 47.3200% (0.69  10.0 10.00   3.02  90.77) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.09 +/- 0.74   0.006% *  0.0335% (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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.699, support = 0.981, residual support = 7.75:
          QD    PHE   60 - QE    PHE   72   4.45 +/- 1.02  68.049% * 73.0133% (0.76   0.99   8.93) =  86.622%  kept
          HN    LYS+  66 - QE    PHE   72   5.35 +/- 0.52  31.678% * 24.2187% (0.28   0.91   0.12) =  13.376%  kept
          HE3   TRP   27 - QE    PHE   72  12.25 +/- 0.74   0.184% *  0.4798% (0.25   0.02   0.02) =   0.002%
          QD    PHE   55 - QE    PHE   72  13.79 +/- 0.68   0.082% *  0.3808% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  21.36 +/- 1.60   0.006% *  1.9073% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.8:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.77) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  16.80 +/- 0.94   0.001% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  17.88 +/- 0.48   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.57, residual support = 90.8:
          HA    PHE   72 - QD    PHE   72   2.99 +/- 0.27  99.844% * 99.8337% (0.90   4.57  90.77) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.19 +/- 0.73   0.156% *  0.1663% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.43 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 = 0.398, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.16 +/- 0.56  75.463% *  9.9133% (0.22   0.02   0.02) =  56.522%  kept
          HA    THR   23 - QD    PHE   72  12.06 +/- 0.96  15.596% * 28.8048% (0.65   0.02   0.02) =  33.942%  kept
          HA    ASP-  78 - QD    PHE   72  17.69 +/- 0.47   1.478% * 41.1037% (0.92   0.02   0.02) =   4.589%  kept
          HB    THR   23 - QD    PHE   72  14.13 +/- 0.94   5.876% *  7.7981% (0.18   0.02   0.02) =   3.462%  kept
          HA    LEU   80 - QD    PHE   72  18.11 +/- 1.73   1.587% * 12.3802% (0.28   0.02   0.02) =   1.485%  kept
    Distance limit 5.39 A violated in 20 structures by 3.35 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.593, support = 3.72, residual support = 62.4:
        T HA    ALA   64 - QD    PHE   72   3.27 +/- 0.34  20.426% * 82.2895% (0.92   1.0 10.00   3.09  38.77) =  54.500%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.53 +/- 0.13  79.542% * 17.6413% (0.20  10.0 10.00   4.49  90.77) =  45.500%  kept
          QE    LYS+  66 - QD    PHE   72   9.63 +/- 0.63   0.031% *  0.0222% (0.25   1.0  1.00   0.02   0.12) =   0.000%
          HB3   ASN   35 - QD    PHE   72  15.05 +/- 0.68   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.76, residual support = 90.8:
      O T HB3   PHE   72 - QD    PHE   72   2.36 +/- 0.12  98.186% * 99.4111% (0.98  10.0 10.00   4.76  90.77) =  99.998%  kept
          HB2   ASP-  44 - QD    PHE   72   4.99 +/- 0.69   1.653% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   7.67 +/- 0.98   0.112% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.65 +/- 0.90   0.027% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  10.56 +/- 1.23   0.017% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.20 +/- 0.64   0.002% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.26 +/- 1.03   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.73 +/- 0.89   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.33 +/- 1.27   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.8, support = 0.81, residual support = 5.19:
        T HB    VAL   42 - QD    PHE   72   3.39 +/- 0.64  94.308% * 62.2439% (0.80 10.00   0.75   4.62) =  98.423%  kept
          HB3   LEU   73 - QD    PHE   72   6.70 +/- 0.42   2.659% * 35.2232% (0.73  1.00   4.67  40.89) =   1.570%  kept
          HB3   LYS+  74 - QD    PHE   72   7.59 +/- 0.77   1.739% *  0.1175% (0.57  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD    PHE   72   8.62 +/- 0.79   0.621% *  0.1662% (0.80  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   8.90 +/- 0.52   0.408% *  0.1734% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  11.92 +/- 0.89   0.078% *  0.1801% (0.87  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.57 +/- 0.81   0.011% *  1.2591% (0.61 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.39 +/- 0.56   0.067% *  0.1010% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  14.03 +/- 0.88   0.030% *  0.2058% (0.99  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.31 +/- 1.92   0.053% *  0.1092% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  15.67 +/- 0.72   0.013% *  0.1426% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  16.67 +/- 2.47   0.014% *  0.0779% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.411, support = 1.5, residual support = 35.2:
        T QD1   LEU   67 - QD    PHE   72   4.02 +/- 1.27  75.423% * 97.5868% (0.41 10.00   1.50  35.23) =  99.901%  kept
        T QD1   ILE  119 - QD    PHE   72   7.93 +/- 0.93   2.672% *  1.6652% (0.53 10.00   0.02   0.02) =   0.060%
          QD2   LEU   40 - QD    PHE   72   6.26 +/- 0.86  15.273% *  0.1419% (0.45  1.00   0.02   0.02) =   0.029%
          HG3   LYS+  74 - QD    PHE   72   7.54 +/- 1.11   4.517% *  0.0705% (0.22  1.00   0.02   0.02) =   0.004%
          HB    VAL   75 - QD    PHE   72   9.89 +/- 0.57   0.789% *  0.3102% (0.98  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QD    PHE   72  10.89 +/- 0.61   0.391% *  0.0977% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QD    PHE   72  10.61 +/- 0.50   0.464% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  10.97 +/- 0.86   0.472% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.96, residual support = 40.9:
          QD2   LEU   73 - QD    PHE   72   4.66 +/- 0.14  79.100% * 99.0222% (0.95   5.96  40.89) =  99.976%  kept
          QG1   VAL   43 - QD    PHE   72   6.49 +/- 0.55  12.364% *  0.0542% (0.15   0.02   0.02) =   0.009%
          QG1   VAL   41 - QD    PHE   72   7.13 +/- 0.46   6.826% *  0.0976% (0.28   0.02   0.02) =   0.009%
          QD1   ILE   56 - QD    PHE   72   9.86 +/- 0.96   1.134% *  0.3480% (0.99   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   72  11.47 +/- 0.70   0.397% *  0.2933% (0.84   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   72  13.30 +/- 1.20   0.178% *  0.1847% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.99, residual support = 38.8:
        T QB    ALA   64 - QD    PHE   72   2.83 +/- 0.43  99.906% * 99.9781% (0.80 10.00   4.99  38.77) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.71 +/- 0.84   0.094% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 35.3:
        T QG2   VAL   70 - QD    PHE   72   2.69 +/- 0.52 100.000% *100.0000% (0.65 10.00   1.84  35.30) = 100.000%  kept
    Distance limit 5.14 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 = 38.8:
        T HA    ALA   64 - QE    PHE   72   2.78 +/- 0.32  99.733% * 99.5248% (0.38 10.00   4.06  38.77) =  99.999%  kept
          QE    LYS+  66 - QE    PHE   72   8.05 +/- 0.66   0.263% *  0.2123% (0.80  1.00   0.02   0.12) =   0.001%
          HB3   ASN   35 - QE    PHE   72  15.83 +/- 0.67   0.004% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 3.3, residual support = 35.3:
        T HB    VAL   70 - QE    PHE   72   2.45 +/- 0.60  99.538% * 98.7668% (0.99 10.00   3.30  35.30) =  99.998%  kept
        T QG    GLN   17 - QE    PHE   72   7.97 +/- 0.78   0.239% *  0.9617% (0.97 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - QE    PHE   72   9.17 +/- 0.79   0.098% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.02 +/- 1.16   0.092% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.19 +/- 1.00   0.018% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.32 +/- 1.62   0.010% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  17.67 +/- 0.61   0.002% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.18 +/- 0.74   0.004% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.06, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.68 +/- 0.64  96.321% * 98.9499% (0.45 10.00   3.06  35.23) =  99.997%  kept
          HB    VAL   18 - QE    PHE   72   6.39 +/- 1.21   2.118% *  0.0491% (0.22  1.00   0.02   5.97) =   0.001%
          HG2   PRO   68 - QE    PHE   72   7.40 +/- 0.91   0.529% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QE    PHE   72   7.53 +/- 0.68   0.428% *  0.1603% (0.73  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QE    PHE   72   8.20 +/- 0.95   0.369% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.91 +/- 0.61   0.171% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.49 +/- 0.98   0.030% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.56 +/- 0.58   0.018% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.68 +/- 1.17   0.014% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  17.77 +/- 0.76   0.002% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.373, support = 3.04, residual support = 34.8:
          HB3   LEU   67 - QE    PHE   72   2.92 +/- 1.05  91.957% * 73.4051% (0.38   3.06  35.23) =  98.842%  kept
          QG    LYS+  66 - QE    PHE   72   6.74 +/- 0.56   4.185% * 18.0598% (0.22   1.27   0.12) =   1.107%  kept
          HG12  ILE   19 - QE    PHE   72   7.61 +/- 1.29   1.683% *  1.0664% (0.84   0.02   0.02) =   0.026%
          QB    ALA   61 - QE    PHE   72   6.99 +/- 0.44   1.291% *  0.6717% (0.53   0.02   0.02) =   0.013%
          QB    LEU   98 - QE    PHE   72   9.00 +/- 0.54   0.453% *  0.8259% (0.65   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QE    PHE   72  11.53 +/- 1.85   0.180% *  1.1786% (0.92   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QE    PHE   72   9.68 +/- 0.77   0.168% *  1.1450% (0.90   0.02   0.02) =   0.003%
          QB    ALA  110 - QE    PHE   72  12.38 +/- 1.25   0.054% *  0.9757% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  14.84 +/- 0.92   0.020% *  0.4792% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  18.47 +/- 2.56   0.005% *  1.2654% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  19.36 +/- 3.32   0.004% *  0.9271% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.11, residual support = 35.2:
        T QD1   LEU   67 - QE    PHE   72   2.99 +/- 0.49  91.801% * 98.1791% (0.41 10.00   4.11  35.23) =  99.971%  kept
        T QD1   ILE  119 - QE    PHE   72   6.54 +/- 1.03   1.488% *  1.2564% (0.53 10.00   0.02   0.02) =   0.021%
          QD2   LEU   40 - QE    PHE   72   5.58 +/- 0.88   6.246% *  0.1071% (0.45  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - QE    PHE   72   9.44 +/- 1.17   0.179% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.70 +/- 0.70   0.040% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72   9.41 +/- 0.57   0.122% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.40 +/- 0.74   0.066% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  10.88 +/- 0.83   0.058% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.679, support = 4.49, residual support = 20.0:
          HB3   LEU   63 - QE    PHE   72   2.38 +/- 0.77  66.713% * 81.3486% (0.73   4.53  18.60) =  91.455%  kept
          QG1   VAL   70 - QE    PHE   72   3.01 +/- 0.80  28.310% * 17.8844% (0.18   4.13  35.30) =   8.532%  kept
          QD1   LEU   40 - QE    PHE   72   3.76 +/- 0.46   4.459% *  0.1528% (0.31   0.02   0.02) =   0.011%
          QG1   VAL   18 - QE    PHE   72   5.90 +/- 0.79   0.514% *  0.1235% (0.25   0.02   5.97) =   0.001%
          QG1   VAL  108 - QE    PHE   72  12.60 +/- 0.90   0.004% *  0.4907% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.853, support = 3.69, residual support = 18.6:
          QD1   LEU   63 - QE    PHE   72   3.19 +/- 0.78  54.169% * 51.1386% (0.98   3.22  18.60) =  56.625%  kept
          QD2   LEU   63 - QE    PHE   72   3.29 +/- 0.73  44.309% * 47.8845% (0.69   4.31  18.60) =  43.370%  kept
          QD1   LEU   73 - QE    PHE   72   8.01 +/- 0.24   0.290% *  0.3174% (0.98   0.02  40.89) =   0.002%
          QD2   LEU  115 - QE    PHE   72   8.28 +/- 0.78   0.227% *  0.2351% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   7.05 +/- 0.51   0.761% *  0.0567% (0.18   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   72   8.32 +/- 0.66   0.233% *  0.1452% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  15.54 +/- 2.62   0.009% *  0.2224% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 36.3:
          QB    ALA   64 - QE    PHE   72   3.41 +/- 0.39  34.311% * 95.5293% (0.69   4.26  38.77) =  92.673%  kept
          QG1   VAL   42 - QE    PHE   72   3.00 +/- 0.65  65.676% *  3.9457% (0.49   0.25   4.62) =   7.327%  kept
          QB    ALA   47 - QE    PHE   72  13.44 +/- 0.73   0.008% *  0.3959% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.10 +/- 1.31   0.005% *  0.1292% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.96 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 = 4.44, residual support = 35.3:
        T QG2   VAL   70 - QE    PHE   72   2.16 +/- 0.42 100.000% *100.0000% (0.90 10.00   4.44  35.30) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.7, residual support = 38.8:
        T HA    ALA   64 - HZ    PHE   72   3.28 +/- 0.53  99.300% * 99.7900% (0.65 10.00   2.70  38.77) =  99.999%  kept
          QE    LYS+  66 - HZ    PHE   72   8.22 +/- 0.78   0.696% *  0.0812% (0.53  1.00   0.02   0.12) =   0.001%
          HB3   ASN   35 - HZ    PHE   72  18.46 +/- 0.78   0.004% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 5.41 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 = 35.3:
        T HB    VAL   70 - HZ    PHE   72   3.90 +/- 1.07  98.441% * 98.2503% (0.92 10.00   3.30  35.30) =  99.989%  kept
        T QG    GLN   17 - HZ    PHE   72   9.74 +/- 0.72   0.734% *  1.0272% (0.97 10.00   0.02   0.02) =   0.008%
        T HB2   MET   96 - HZ    PHE   72  10.91 +/- 1.00   0.617% *  0.5600% (0.53 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HZ    PHE   72  15.48 +/- 1.78   0.089% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  13.98 +/- 1.08   0.109% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  20.86 +/- 0.70   0.009% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.2:
        T HB2   LEU   67 - HZ    PHE   72   3.05 +/- 0.68  98.187% * 98.9499% (0.45 10.00   2.96  35.23) =  99.998%  kept
          HG2   PRO   68 - HZ    PHE   72   8.60 +/- 1.24   0.382% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HZ    PHE   72   8.12 +/- 1.26   1.006% *  0.0491% (0.22  1.00   0.02   5.97) =   0.001%
          HB    ILE   19 - HZ    PHE   72   9.56 +/- 0.70   0.149% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.22 +/- 1.28   0.033% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  10.04 +/- 1.02   0.121% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.84 +/- 0.59   0.083% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.30 +/- 1.41   0.022% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.39 +/- 0.68   0.016% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  20.97 +/- 0.88   0.002% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.373, support = 2.93, residual support = 34.8:
          HB3   LEU   67 - HZ    PHE   72   3.66 +/- 1.07  90.660% * 76.9417% (0.38   2.96  35.23) =  98.713%  kept
          QG    LYS+  66 - HZ    PHE   72   6.76 +/- 0.51   6.403% * 13.7891% (0.22   0.89   0.12) =   1.249%  kept
          QB    ALA   61 - HZ    PHE   72   8.29 +/- 0.37   1.474% *  0.7295% (0.53   0.02   0.02) =   0.015%
          HG12  ILE   19 - HZ    PHE   72   9.77 +/- 1.35   0.477% *  1.1581% (0.84   0.02   0.02) =   0.008%
          QB    LEU   98 - HZ    PHE   72  10.33 +/- 0.69   0.503% *  0.8970% (0.65   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HZ    PHE   72  12.18 +/- 1.95   0.242% *  1.2799% (0.92   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HZ    PHE   72  11.99 +/- 0.84   0.143% *  1.2435% (0.90   0.02   0.02) =   0.003%
          QB    ALA  110 - HZ    PHE   72  14.46 +/- 1.32   0.067% *  1.0596% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  21.83 +/- 2.89   0.007% *  1.3743% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  17.41 +/- 0.98   0.017% *  0.5204% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  22.80 +/- 3.76   0.006% *  1.0068% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 35.2:
        T QD1   LEU   67 - HZ    PHE   72   3.09 +/- 0.79  94.896% * 96.1534% (0.41 10.00   3.99  35.23) =  99.965%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.26 +/- 1.28   2.343% *  1.2305% (0.53 10.00   0.02   0.02) =   0.032%
          QD2   LEU   40 - HZ    PHE   72   6.30 +/- 0.87   2.429% *  0.1049% (0.45  1.00   0.02   0.02) =   0.003%
        T HB    VAL   75 - HZ    PHE   72  14.28 +/- 0.74   0.020% *  2.2925% (0.98 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  10.14 +/- 0.84   0.124% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  11.76 +/- 1.23   0.096% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.63 +/- 1.03   0.056% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  12.68 +/- 0.93   0.036% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.86, support = 2.88, residual support = 21.1:
        T HB3   LEU   63 - HZ    PHE   72   2.94 +/- 1.02  68.498% * 71.5017% (0.95 10.00   3.03  18.60) =  84.980%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.86 +/- 0.64  30.514% * 28.3684% (0.38 10.00   2.00  35.30) =  15.020%  kept
          QG1   VAL   18 - HZ    PHE   72   7.49 +/- 0.84   0.423% *  0.0368% (0.49  1.00   0.02   5.97) =   0.000%
          QD1   LEU  123 - HZ    PHE   72   7.29 +/- 1.42   0.405% *  0.0150% (0.20  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   8.87 +/- 0.65   0.154% *  0.0150% (0.20  1.00   0.02  19.45) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  14.65 +/- 1.06   0.006% *  0.0631% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.764, support = 2.42, residual support = 18.6:
          QD2   LEU   63 - HZ    PHE   72   3.17 +/- 0.86  83.809% * 32.7701% (0.69   2.19  18.60) =  73.727%  kept
          QD1   LEU   63 - HZ    PHE   72   4.38 +/- 0.86  14.844% * 65.9141% (0.98   3.08  18.60) =  26.266%  kept
          QD1   LEU   73 - HZ    PHE   72   9.71 +/- 0.31   0.187% *  0.4275% (0.98   0.02  40.89) =   0.002%
          QD1   LEU  104 - HZ    PHE   72   8.91 +/- 0.81   0.394% *  0.1956% (0.45   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ    PHE   72   9.42 +/- 1.01   0.183% *  0.3167% (0.73   0.02   0.02) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   8.53 +/- 0.53   0.576% *  0.0764% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  18.33 +/- 2.94   0.007% *  0.2996% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.38 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 = 35.3:
        T QG2   VAL   70 - HZ    PHE   72   3.22 +/- 0.46 100.000% *100.0000% (0.90 10.00   4.44  35.30) = 100.000%  kept
    Distance limit 5.41 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 = 74.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.86  74.39) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  74.39) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.53 +/- 2.41   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.11 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 = 1.05, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.999% * 99.8601% (0.98  10.0 10.00   1.05  74.39) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  21.34 +/- 3.53   0.001% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  19.14 +/- 1.66   0.001% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.970% * 99.5607% (0.99  10.0   1.00  74.39) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  16.85 +/- 6.47   0.029% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  20.85 +/- 3.44   0.001% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  25.00 +/- 2.51   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  27.87 +/- 3.28   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.870% * 99.7330% (0.90  10.0   1.00  74.39) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.36 +/- 0.25   1.128% *  0.0027% (0.01   1.0   0.02  20.71) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  29.17 +/- 4.41   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.50 +/- 0.83   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  25.45 +/- 2.78   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  25.00 +/- 2.51   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.846, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HZ2   TRP   87  16.73 +/- 5.52  39.711% * 81.3674% (0.87   0.02   0.02) =  97.390%  kept
          HZ    PHE   72 - HN    ILE   56  14.86 +/- 0.98  50.913% *  0.6281% (0.01   0.02   0.02) =   0.964%  kept
          HZ    PHE   72 - HZ2   TRP   87  25.39 +/- 3.65   1.965% * 14.4733% (0.15   0.02   0.02) =   0.857%  kept
          HZ2   TRP   27 - HN    ILE   56  20.26 +/- 1.29   7.411% *  3.5312% (0.04   0.02   0.02) =   0.789%  kept
    Distance limit 4.83 A violated in 20 structures by 7.87 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 0.02:
          HN    THR   23 - HZ3   TRP   87  18.46 +/- 6.37  35.751% * 11.6802% (0.53   0.02   0.02) =  30.845%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.32 +/- 1.98  18.458% * 22.0041% (0.99   0.02   0.02) =  30.001%  kept
          QE    PHE   95 - HZ3   TRP   87  19.74 +/- 2.53  21.381% * 10.8062% (0.49   0.02   0.02) =  17.066%  kept
          HD2   HIS   22 - HZ3   TRP   87  22.51 +/- 7.44   9.724% * 20.4937% (0.92   0.02   0.02) =  14.720%  kept
          HD21  ASN   35 - HZ3   TRP   87  27.31 +/- 7.11   4.019% * 11.6802% (0.53   0.02   0.02) =   3.467%  kept
          QD    PHE   55 - HZ3   TRP   87  24.64 +/- 3.05   9.680% *  3.4254% (0.15   0.02   0.02) =   2.449%  kept
          HN    LEU   67 - HZ3   TRP   87  31.56 +/- 3.85   0.987% * 19.9101% (0.90   0.02   0.02) =   1.452%  kept
    Distance limit 4.22 A violated in 20 structures by 9.86 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   4.81 +/- 0.21  99.845% * 97.7181% (0.38   3.73  22.52) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  18.97 +/- 4.35   0.084% *  1.1172% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  19.85 +/- 4.28   0.056% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  22.58 +/- 3.14   0.015% *  0.7341% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87  16.40 +/- 5.10 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 10.90 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.454, support = 0.02, residual support = 0.02:
          QD1   LEU   80 - HH2   TRP   87  11.62 +/- 2.00  38.070% *  9.4612% (0.53  1.00   0.02   0.02) =  50.270%  kept
          QD2   LEU   80 - HH2   TRP   87  11.78 +/- 2.99  39.942% *  2.7747% (0.15  1.00   0.02   0.02) =  15.468%  kept
          QD1   LEU   73 - HH2   TRP   87  15.78 +/- 4.44  10.632% *  8.0623% (0.45  1.00   0.02   0.02) =  11.964%  kept
        T QD2   LEU  115 - HH2   TRP   87  23.11 +/- 3.35   1.651% * 31.4935% (0.18 10.00   0.02   0.02) =   7.259%  kept
          QD2   LEU   98 - HH2   TRP   87  17.54 +/- 3.71   4.133% *  9.4612% (0.53  1.00   0.02   0.02) =   5.458%  kept
          QG2   VAL   41 - HH2   TRP   87  18.63 +/- 4.59   2.909% * 13.0582% (0.73  1.00   0.02   0.02) =   5.302%  kept
          QD2   LEU   63 - HH2   TRP   87  23.04 +/- 3.03   0.963% * 17.6268% (0.98  1.00   0.02   0.02) =   2.369%  kept
          QD1   LEU   63 - HH2   TRP   87  21.19 +/- 2.85   1.699% *  8.0623% (0.45  1.00   0.02   0.02) =   1.912%  kept
    Distance limit 5.34 A violated in 18 structures by 4.40 A, eliminated.
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.597, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HH2   TRP   87  18.02 +/- 3.69  29.954% * 30.8031% (0.76   0.02   0.02) =  49.068%  kept
          QG2   THR   46 - HH2   TRP   87  16.68 +/- 2.54  38.261% * 10.0504% (0.25   0.02   0.02) =  20.450%  kept
          QD1   ILE   19 - HH2   TRP   87  21.65 +/- 5.39  12.631% * 22.8195% (0.57   0.02   0.02) =  15.328%  kept
          QD2   LEU  104 - HH2   TRP   87  23.35 +/- 3.99   6.741% * 29.2682% (0.73   0.02   0.02) =  10.493%  kept
          QG2   VAL   18 - HH2   TRP   87  20.39 +/- 3.70  12.413% *  7.0588% (0.18   0.02   0.02) =   4.660%  kept
    Distance limit 4.85 A violated in 20 structures by 9.22 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.58, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.35 +/- 0.14  99.999% * 99.8092% (0.80 10.00   3.58  74.39) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  27.30 +/- 2.75   0.000% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  28.51 +/- 4.26   0.001% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  27.55 +/- 4.62   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.48 +/- 0.07 100.000% * 99.0099% (1.00  10.0 10.00   3.26  74.39) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  23.41 +/- 2.64   0.000% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.22 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 = 0.917, support = 0.0198, residual support = 0.0198:
        T QD1   ILE  103 - HE3   TRP   87  17.94 +/- 3.17  33.625% * 76.5748% (0.95 10.00   0.02   0.02) =  91.910%  kept
          QD2   LEU   71 - HE3   TRP   87  23.00 +/- 4.67  10.468% *  7.0218% (0.87  1.00   0.02   0.02) =   2.624%  kept
          QG2   ILE  103 - HE3   TRP   87  19.33 +/- 3.36  22.507% *  2.2507% (0.28  1.00   0.02   0.02) =   1.808%  kept
          HG3   LYS+  74 - HE3   TRP   87  21.35 +/- 3.58  13.700% *  3.0381% (0.38  1.00   0.02   0.02) =   1.486%  kept
          QG2   ILE  119 - HE3   TRP   87  25.07 +/- 2.78   4.771% *  8.0949% (1.00  1.00   0.02   0.02) =   1.379%  kept
          QD2   LEU   40 - HE3   TRP   87  22.30 +/- 3.78   9.033% *  1.4177% (0.18  1.00   0.02   0.02) =   0.457%
          QD1   LEU   67 - HE3   TRP   87  24.07 +/- 3.43   5.895% *  1.6020% (0.20  1.00   0.02   0.02) =   0.337%
    Distance limit 5.43 A violated in 20 structures by 9.81 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 = 74.4:
          HA    TRP   87 - HD1   TRP   87   4.53 +/- 0.15  99.983% * 99.1086% (0.80   4.25  74.39) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  23.35 +/- 2.43   0.007% *  0.5621% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  25.54 +/- 3.98   0.005% *  0.2394% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  25.17 +/- 3.07   0.005% *  0.0899% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.35 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 = 3.98, residual support = 11.8:
        T HA    VAL   83 - HD1   TRP   87   4.89 +/- 0.87  97.780% * 95.9068% (0.41 10.00   3.98  11.84) =  99.979%  kept
        T HA    VAL   24 - HD1   TRP   87  13.60 +/- 4.27   2.181% *  0.8755% (0.38 10.00   0.02   0.02) =   0.020%
        T HA    LYS+  38 - HD1   TRP   87  28.37 +/- 3.69   0.005% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  26.50 +/- 3.07   0.007% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  22.31 +/- 1.99   0.026% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 3 structures by 0.31 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.86 +/- 0.03  99.991% * 99.0099% (1.00  10.0  1.00   3.93  74.39) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  19.13 +/- 2.29   0.009% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.26 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   3.58 +/- 0.47  99.858% * 98.2033% (1.00 10.00   3.60  22.52) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  17.83 +/- 4.16   0.042% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.62 +/- 1.33   0.093% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  26.77 +/- 4.48   0.002% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  23.57 +/- 4.11   0.004% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  24.95 +/- 2.09   0.002% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 74.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.77 +/- 0.06  99.997% * 99.2543% (0.25  10.0   3.79  74.39) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  17.43 +/- 3.01   0.003% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  30.76 +/- 4.51   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  26.63 +/- 3.60   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  25.19 +/- 2.23   0.000% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.822, support = 3.12, residual support = 15.2:
        T QG2   VAL   83 - HD1   TRP   87   3.77 +/- 1.60  26.254% * 86.6622% (0.90 10.00   2.64  11.84) =  69.992%  kept
          QD1   ILE   89 - HD1   TRP   87   2.54 +/- 0.58  73.715% * 13.2333% (0.65  1.00   4.23  23.14) =  30.008%  kept
          QG2   VAL   43 - HD1   TRP   87  11.54 +/- 2.83   0.028% *  0.0131% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87  15.83 +/- 3.20   0.003% *  0.0914% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.941, support = 1.41, residual support = 22.9:
        T QG2   ILE   89 - HD1   TRP   87   3.90 +/- 0.11  76.410% * 92.3946% (0.95 10.00   1.41  23.14) =  97.534%  kept
          QG1   VAL   83 - HD1   TRP   87   5.04 +/- 0.98  23.587% *  7.5667% (0.73  1.00   1.50  11.84) =   2.466%  kept
          QD1   LEU  104 - HD1   TRP   87  22.43 +/- 2.60   0.003% *  0.0386% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 5.41 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 = 0.442, support = 0.619, residual support = 0.0618:
          QD1   LEU   80 - HZ2   TRP   87   9.87 +/- 2.14   6.191% * 80.6714% (0.53   0.62   0.02) =  83.150%  kept
          QD2   LEU  115 - HN    ILE   56   6.80 +/- 0.87  55.783% *  1.4356% (0.01   0.77   0.34) =  13.332%  kept
          QD2   LEU   80 - HZ2   TRP   87   9.91 +/- 3.15  18.183% *  0.7618% (0.15   0.02   0.02) =   2.306%  kept
          QD1   LEU   73 - HZ2   TRP   87  14.36 +/- 3.88   1.211% *  2.2137% (0.45   0.02   0.02) =   0.446%
          QD1   LEU   63 - HN    ILE   56   8.72 +/- 0.39  12.854% *  0.0961% (0.02   0.02   0.02) =   0.206%
          QG2   VAL   41 - HZ2   TRP   87  17.38 +/- 3.99   0.260% *  3.5854% (0.73   0.02   0.02) =   0.155%
          QD2   LEU   98 - HZ2   TRP   87  16.48 +/- 3.29   0.339% *  2.5977% (0.53   0.02   0.02) =   0.147%
          QD2   LEU   63 - HN    ILE   56  10.86 +/- 0.52   3.537% *  0.2100% (0.04   0.02   0.02) =   0.124%
          QD2   LEU   63 - HZ2   TRP   87  21.53 +/- 2.86   0.068% *  4.8398% (0.98   0.02   0.02) =   0.055%
          QD1   LEU   63 - HZ2   TRP   87  19.63 +/- 2.73   0.126% *  2.2137% (0.45   0.02   0.02) =   0.046%
          QD2   LEU  115 - HZ2   TRP   87  21.63 +/- 3.36   0.088% *  0.8647% (0.18   0.02   0.02) =   0.013%
          QD1   LEU   73 - HN    ILE   56  15.68 +/- 0.64   0.386% *  0.0961% (0.02   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    ILE   56  17.38 +/- 0.69   0.192% *  0.1556% (0.03   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ILE   56  17.25 +/- 1.69   0.236% *  0.1127% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ILE   56  17.09 +/- 1.12   0.233% *  0.1127% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    ILE   56  16.52 +/- 1.42   0.312% *  0.0331% (0.01   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 10 structures by 0.88 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.401, support = 0.02, residual support = 0.02:
          QG2   VAL   43 - HZ2   TRP   87  12.90 +/- 3.52  42.891% * 71.3019% (0.45   0.02   0.02) =  85.280%  kept
          QD1   LEU   31 - HZ2   TRP   87  15.53 +/- 4.46  16.655% * 24.5388% (0.15   0.02   0.02) =  11.396%  kept
          QG2   VAL   43 - HN    ILE   56  13.18 +/- 0.58  37.504% *  3.0944% (0.02   0.02   0.02) =   3.236%  kept
          QD1   LEU   31 - HN    ILE   56  20.15 +/- 1.41   2.950% *  1.0649% (0.01   0.02   0.02) =   0.088%
    Distance limit 5.32 A violated in 19 structures by 5.32 A, eliminated.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 2.7, residual support = 63.4:
          HA    TRP   49 - HE3   TRP   49   4.39 +/- 0.42  56.132% * 59.5805% (0.69   3.20  87.20) =  71.757%  kept
          HA    CYS   50 - HE3   TRP   49   5.31 +/- 1.69  37.438% * 34.3249% (0.87   1.46   2.51) =  27.572%  kept
          HA    ALA   47 - HE3   TRP   49   6.82 +/- 1.15   6.352% *  4.9186% (0.76   0.24  14.63) =   0.670%  kept
          HA1   GLY  109 - HE3   TRP   49  15.35 +/- 2.61   0.046% *  0.4533% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HE3   TRP   49  16.18 +/- 1.93   0.026% *  0.3511% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  22.43 +/- 1.98   0.005% *  0.2642% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  31.08 +/- 1.00   0.000% *  0.1074% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.63, residual support = 87.2:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.537% * 98.2581% (1.00   3.63  87.20) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  13.45 +/- 1.88   0.385% *  0.2034% (0.38   0.02   0.02) =   0.001%
          HN    THR   23 - HE3   TRP   49  18.89 +/- 2.11   0.055% *  0.2228% (0.41   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE3   TRP   49  23.81 +/- 2.80   0.016% *  0.5312% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  25.70 +/- 1.20   0.006% *  0.4340% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  34.51 +/- 2.00   0.001% *  0.3506% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.39 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.823, support = 0.02, residual support = 83.1:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  92.561% * 16.7579% (0.84   0.02  87.20) =  95.321%  kept
          QE    PHE   95 - HH2   TRP   49  13.08 +/- 1.77   2.133% * 15.3326% (0.76   0.02   0.02) =   2.010%  kept
          QD    PHE   55 - HH2   TRP   49  13.09 +/- 2.75   4.145% *  6.8436% (0.34   0.02   0.02) =   1.743%  kept
          HN    THR   23 - HH2   TRP   49  18.25 +/- 3.49   0.685% * 16.0651% (0.80   0.02   0.02) =   0.676%  kept
          HE3   TRP   27 - HH2   TRP   49  19.04 +/- 3.28   0.317% *  5.5782% (0.28   0.02   0.02) =   0.109%
          HD2   HIS   22 - HH2   TRP   49  23.54 +/- 3.98   0.125% * 13.7814% (0.69   0.02   0.02) =   0.106%
          HN    LEU   67 - HH2   TRP   49  26.13 +/- 1.29   0.027% * 20.0629% (1.00   0.02   0.02) =   0.033%
          HD21  ASN   35 - HH2   TRP   49  32.81 +/- 2.72   0.007% *  5.5782% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.60 A violated in 20 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.3, residual support = 67.0:
          HA    TRP   49 - HD1   TRP   49   4.21 +/- 0.35  65.994% * 45.2915% (0.69   4.75  87.20) =  75.453%  kept
          HA    CYS   50 - HD1   TRP   49   5.96 +/- 1.30  18.973% * 40.6405% (0.87   3.37   2.51) =  19.465%  kept
          HA    ALA   47 - HD1   TRP   49   5.65 +/- 0.80  14.949% * 13.4659% (0.76   1.27  14.63) =   5.082%  kept
          HA1   GLY  109 - HD1   TRP   49  16.13 +/- 2.56   0.052% *  0.2321% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  16.52 +/- 1.75   0.027% *  0.1797% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  21.07 +/- 1.61   0.005% *  0.1352% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  30.64 +/- 1.18   0.000% *  0.0550% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.763, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - HZ3   TRP   87  20.72 +/- 5.23  38.406% * 68.8547% (0.99   0.02   0.02) =  57.956%  kept
          QD1   LEU   98 - HZ3   TRP   87  18.53 +/- 3.77  61.594% * 31.1453% (0.45   0.02   0.02) =  42.044%  kept
    Distance limit 5.50 A violated in 20 structures by 11.30 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.713, support = 0.02, residual support = 0.02:
          QG2   ILE  103 - HZ3   TRP   87  19.80 +/- 3.83  15.421% * 16.4554% (0.95   0.02   0.02) =  25.802%  kept
          QD1   ILE  103 - HZ3   TRP   87  18.29 +/- 3.57  22.333% * 11.2532% (0.65   0.02   0.02) =  25.554%  kept
          HB    VAL   75 - HZ3   TRP   87  16.67 +/- 4.43  41.073% *  4.3376% (0.25   0.02   0.02) =  18.115%  kept
          HG3   LYS+  74 - HZ3   TRP   87  22.43 +/- 3.96   5.621% * 17.2415% (0.99   0.02   0.02) =   9.853%  kept
          QD2   LEU   40 - HZ3   TRP   87  22.71 +/- 4.06   4.937% * 14.5299% (0.84   0.02   0.02) =   7.293%  kept
          QD2   LEU   71 - HZ3   TRP   87  23.25 +/- 5.11   4.791% * 13.2941% (0.76   0.02   0.02) =   6.476%  kept
          QD1   LEU   67 - HZ3   TRP   87  24.68 +/- 3.80   3.087% * 15.0893% (0.87   0.02   0.02) =   4.736%  kept
          QG2   ILE  119 - HZ3   TRP   87  26.04 +/- 3.10   2.738% *  7.7989% (0.45   0.02   0.02) =   2.171%  kept
    Distance limit 5.50 A violated in 20 structures by 8.13 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.818, support = 0.02, residual support = 0.02:
          HG2   PRO   93 - HZ3   TRP   87  20.04 +/- 2.88  29.779% * 14.0274% (0.95   0.02   0.02) =  36.819%  kept
          HB    VAL   41 - HZ3   TRP   87  23.20 +/- 5.20  16.240% * 13.2989% (0.90   0.02   0.02) =  19.036%  kept
          HG12  ILE  103 - HZ3   TRP   87  22.90 +/- 4.42  13.239% * 11.3326% (0.76   0.02   0.02) =  13.224%  kept
          HB3   PRO   52 - HZ3   TRP   87  22.32 +/- 3.14  15.749% *  7.2180% (0.49   0.02   0.02) =  10.020%  kept
          QB    LYS+ 102 - HZ3   TRP   87  25.18 +/- 4.22   6.908% * 11.3326% (0.76   0.02   0.02) =   6.900%  kept
          HB2   LEU   71 - HZ3   TRP   87  26.38 +/- 5.48   8.424% *  8.9941% (0.61   0.02   0.02) =   6.678%  kept
          QB    LYS+  66 - HZ3   TRP   87  29.04 +/- 3.02   2.772% * 14.6976% (0.99   0.02   0.02) =   3.590%  kept
          QB    LYS+  65 - HZ3   TRP   87  29.02 +/- 2.98   2.914% *  9.5928% (0.65   0.02   0.02) =   2.464%  kept
          HG    LEU  123 - HZ3   TRP   87  33.75 +/- 4.17   1.077% *  7.2180% (0.49   0.02   0.02) =   0.685%  kept
          HB3   GLN   17 - HZ3   TRP   87  30.69 +/- 4.97   2.899% *  2.2880% (0.15   0.02   0.02) =   0.585%  kept
    Distance limit 5.50 A violated in 20 structures by 10.25 A, eliminated.
    Peak unassigned.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.41 +/- 0.38 100.000% *100.0000% (0.61   3.86  73.52) = 100.000%  kept
    Distance limit 5.15 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   2.37 +/- 0.40 100.000% *100.0000% (0.98 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 5.19 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 = 4.65:
          HA    ASP-  44 - QD    PHE   95   2.82 +/- 0.76  99.722% * 93.1915% (0.90   2.00   4.65) =  99.998%  kept
          HA    ILE  103 - QD    PHE   95  10.93 +/- 0.65   0.104% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - QD    PHE   95  11.67 +/- 1.37   0.060% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.97 +/- 0.62   0.056% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.38 +/- 0.94   0.029% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.59 +/- 0.92   0.012% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  18.85 +/- 2.83   0.004% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  18.75 +/- 1.82   0.003% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  15.87 +/- 1.00   0.007% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.41 +/- 0.85   0.002% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.64 +/- 0.97   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  27.51 +/- 1.18   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.35 +/- 0.08 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.52) = 100.000%  kept
    Distance limit 4.64 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   2.67 +/- 0.13  99.925% * 99.8712% (0.99  10.0 10.00   3.31  73.52) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.15 +/- 0.73   0.074% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  18.05 +/- 1.04   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.6:
        T HB    VAL  107 - QD    PHE   95   2.35 +/- 0.71  99.184% * 99.7392% (0.92 10.00   3.85  45.63) = 100.000%  kept
          HB3   PHE   45 - QD    PHE   95   6.76 +/- 1.01   0.496% *  0.0568% (0.53  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - QD    PHE   95   8.80 +/- 1.57   0.309% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  13.99 +/- 1.24   0.009% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  18.36 +/- 0.81   0.002% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.764, support = 0.717, residual support = 4.23:
          HB3   ASP-  44 - QD    PHE   95   3.53 +/- 1.22  72.650% * 27.9347% (0.76   0.75   4.65) =  87.531%  kept
          HB3   PRO   93 - QD    PHE   95   5.04 +/- 0.79  12.368% * 11.5590% (1.00   0.24   0.02) =   6.166%  kept
          HB2   LEU   63 - QD    PHE   95   6.09 +/- 0.60   3.715% * 23.6462% (0.65   0.75   3.42) =   3.789%  kept
          HB    VAL   42 - QD    PHE   95   6.83 +/- 0.92   3.883% * 11.2819% (0.31   0.75   1.48) =   1.890%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.23 +/- 0.62   0.609% * 19.8263% (0.61   0.67   0.02) =   0.521%  kept
          HG2   LYS+ 111 - QD    PHE   95   8.75 +/- 1.99   5.285% *  0.3009% (0.31   0.02   0.02) =   0.069%
          HG    LEU   98 - QD    PHE   95   9.93 +/- 1.59   0.364% *  0.9407% (0.97   0.02   0.02) =   0.015%
          HB3   LEU   73 - QD    PHE   95   8.71 +/- 1.27   0.780% *  0.3658% (0.38   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - QD    PHE   95   9.85 +/- 0.84   0.175% *  0.4745% (0.49   0.02   0.02) =   0.004%
          QB    ALA  124 - QD    PHE   95  12.87 +/- 0.81   0.051% *  0.8742% (0.90   0.02   0.02) =   0.002%
          QB    ALA   84 - QD    PHE   95  13.55 +/- 1.07   0.028% *  0.9726% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.58 +/- 0.86   0.049% *  0.3009% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  15.75 +/- 3.38   0.017% *  0.5128% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.29 +/- 1.17   0.011% *  0.4007% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  16.11 +/- 0.90   0.010% *  0.3658% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  18.02 +/- 1.02   0.006% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 45.6:
        T QG2   VAL  107 - QD    PHE   95   2.33 +/- 0.57  99.866% * 99.7831% (0.99 10.00   3.86  45.63) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95  10.24 +/- 0.76   0.065% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.46 +/- 1.16   0.054% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.67 +/- 0.54   0.015% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 1.03, residual support = 3.79:
          QD1   LEU   63 - QD    PHE   95   3.68 +/- 0.62  74.583% * 19.8640% (0.90  1.00   1.51   3.42) =  51.546%  kept
        T QD2   LEU  115 - QD    PHE   95   5.06 +/- 0.86  18.232% * 75.0343% (0.99 10.00   0.52   4.20) =  47.599%  kept
          QD2   LEU   63 - QD    PHE   95   5.65 +/- 0.71   5.784% *  4.1944% (0.31  1.00   0.92   3.42) =   0.844%  kept
          QD1   LEU   73 - QD    PHE   95   8.37 +/- 0.65   0.782% *  0.2636% (0.90  1.00   0.02   0.02) =   0.007%
          QD1   LEU  104 - QD    PHE   95  10.29 +/- 0.79   0.183% *  0.2455% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   95  13.03 +/- 2.83   0.333% *  0.1103% (0.38  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD    PHE   95  13.11 +/- 3.04   0.100% *  0.2881% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 5.27 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 = 0.646, support = 0.749, residual support = 1.48:
        T QG1   VAL   42 - QD    PHE   95   3.96 +/- 0.81  94.253% * 94.6356% (0.65 10.00   0.75   1.48) =  99.870%  kept
          QB    ALA   64 - QD    PHE   95   7.47 +/- 0.71   3.029% *  2.2627% (0.53  1.00   0.22   0.02) =   0.077%
        T QB    ALA   47 - QD    PHE   95   8.83 +/- 0.58   1.559% *  2.9813% (0.76 10.00   0.02   0.02) =   0.052%
          HG2   LYS+ 112 - QD    PHE   95   9.79 +/- 1.34   1.159% *  0.1204% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 4.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.71, support = 3.8, residual support = 12.4:
          HA    ILE  119 - HD2   HIS  122   2.99 +/- 0.57  89.330% * 51.0935% (0.73   3.72  13.36) =  89.921%  kept
          HA    THR  118 - HD2   HIS  122   4.63 +/- 0.27  10.646% * 48.0556% (0.57   4.49   3.84) =  10.079%  kept
          HD3   PRO   58 - HD2   HIS  122  13.20 +/- 0.74   0.016% *  0.1168% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.71 +/- 1.05   0.006% *  0.1052% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  19.30 +/- 0.92   0.002% *  0.2143% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.67 +/- 1.17   0.000% *  0.2448% (0.65   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  26.09 +/- 2.27   0.000% *  0.1697% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 74.2:
      O T HB2   HIS  122 - HD2   HIS  122   3.82 +/- 0.30  99.874% * 99.7225% (0.49  10.0 10.00   3.81  74.17) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.24 +/- 0.77   0.108% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.87 +/- 1.66   0.016% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.99 +/- 1.08   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.96, support = 4.03, residual support = 73.8:
      O T HB3   HIS  122 - HD2   HIS  122   2.96 +/- 0.34  89.181% * 85.7298% (0.97  10.0 10.00   4.02  74.17) =  98.030%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.55 +/- 1.47  10.818% * 14.2002% (0.69   1.0  1.00   4.65  52.82) =   1.970%  kept
          HG2   GLN   30 - HD2   HIS  122  19.76 +/- 1.03   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.14 +/- 1.35   0.000% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.518, support = 0.122, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   8.97 +/- 1.15   5.982% * 48.6773% (0.65   0.21   0.02) =  54.798%  kept
          HB3   ASP- 105 - HD2   HIS  122   5.42 +/- 1.41  86.983% *  2.4774% (0.34   0.02   0.02) =  40.552%  kept
          HB    ILE   56 - HD2   HIS  122  13.12 +/- 1.71   1.438% *  7.1190% (0.98   0.02   0.02) =   1.926%  kept
          HG3   PRO   68 - HD2   HIS  122  12.58 +/- 2.00   3.528% *  1.8110% (0.25   0.02   0.02) =   1.202%  kept
          HB3   PRO   58 - HD2   HIS  122  13.87 +/- 0.96   0.751% *  4.4051% (0.61   0.02   0.02) =   0.622%  kept
          HB3   LYS+  38 - HD2   HIS  122  16.60 +/- 1.80   0.205% *  7.2467% (1.00   0.02   0.02) =   0.280%
          HB    ILE  103 - HD2   HIS  122  12.60 +/- 1.33   0.709% *  2.0193% (0.28   0.02   0.02) =   0.270%
          HB3   GLN   30 - HD2   HIS  122  18.23 +/- 1.19   0.110% *  6.7044% (0.92   0.02   0.02) =   0.139%
          HB2   MET   92 - HD2   HIS  122  18.81 +/- 1.00   0.084% *  5.8156% (0.80   0.02   0.02) =   0.092%
          QB    LYS+  33 - HD2   HIS  122  18.20 +/- 1.18   0.116% *  3.2562% (0.45   0.02   0.02) =   0.071%
          HG2   ARG+  54 - HD2   HIS  122  20.00 +/- 1.13   0.069% *  2.2417% (0.31   0.02   0.02) =   0.029%
          HB3   GLN   90 - HD2   HIS  122  25.53 +/- 0.90   0.014% *  3.8211% (0.53   0.02   0.02) =   0.010%
          QB    LYS+  81 - HD2   HIS  122  26.91 +/- 2.17   0.010% *  4.4051% (0.61   0.02   0.02) =   0.009%
    Distance limit 5.27 A violated in 4 structures by 0.50 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 = 5.79, residual support = 52.7:
          HB2   LYS+ 121 - HD2   HIS  122   3.56 +/- 0.41  97.058% * 68.9171% (0.92   5.81  52.82) =  98.815%  kept
          HB2   LEU  123 - HD2   HIS  122   6.64 +/- 0.46   2.697% * 29.7301% (0.53   4.39  39.18) =   1.184%  kept
          QD    LYS+  65 - HD2   HIS  122  13.02 +/- 1.54   0.072% *  0.2433% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  13.83 +/- 1.40   0.041% *  0.1966% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  15.59 +/- 1.81   0.032% *  0.2566% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  16.23 +/- 1.32   0.013% *  0.1456% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.93 +/- 1.72   0.018% *  0.0965% (0.38   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  13.43 +/- 0.63   0.041% *  0.0397% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.47 +/- 1.52   0.020% *  0.0715% (0.28   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.69 +/- 1.05   0.008% *  0.0509% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  25.33 +/- 3.34   0.001% *  0.2521% (0.98   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 0.856, support = 4.92, residual support = 52.8:
          HB3   LYS+ 121 - HD2   HIS  122   4.30 +/- 0.80  55.915% * 71.5393% (1.00   4.81  52.82) =  78.390%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.43 +/- 1.41  40.622% * 27.1255% (0.34   5.33  52.82) =  21.594%  kept
          QD    LYS+  66 - HD2   HIS  122   8.83 +/- 2.36   2.208% *  0.2166% (0.73   0.02   0.02) =   0.009%
          HG    LEU  104 - HD2   HIS  122   8.54 +/- 1.42   1.049% *  0.2976% (1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HD2   HIS  122  12.76 +/- 1.72   0.104% *  0.2878% (0.97   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HD2   HIS  122  16.07 +/- 1.45   0.025% *  0.2821% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  13.26 +/- 1.50   0.066% *  0.0829% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.40 +/- 0.79   0.007% *  0.0664% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  21.16 +/- 2.09   0.004% *  0.1017% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.28 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 = 0.195, support = 3.12, residual support = 13.0:
          QG2   ILE  119 - HD2   HIS  122   4.80 +/- 0.50  56.340% * 73.2899% (0.18  1.00   3.21  13.36) =  97.349%  kept
          QD1   LEU   67 - HD2   HIS  122   6.69 +/- 2.53  28.721% *  2.6024% (1.00  1.00   0.02   0.66) =   1.762%  kept
          QD2   LEU   40 - HD2   HIS  122   6.82 +/- 0.98  11.246% *  2.6082% (1.00  1.00   0.02   0.66) =   0.692%  kept
          QG2   ILE  103 - HD2   HIS  122   8.90 +/- 1.18   2.867% *  2.5171% (0.97  1.00   0.02   0.02) =   0.170%
          QD1   ILE  103 - HD2   HIS  122  11.02 +/- 1.23   0.580% *  0.8050% (0.31  1.00   0.02   0.02) =   0.011%
        T HB    VAL   75 - HD2   HIS  122  17.70 +/- 1.24   0.027% * 14.7662% (0.57 10.00   0.02   0.02) =   0.009%
          QD2   LEU   71 - HD2   HIS  122  12.99 +/- 0.87   0.185% *  1.0722% (0.41  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HD2   HIS  122  16.88 +/- 1.29   0.033% *  2.3391% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.491, support = 4.55, residual support = 38.6:
          QD1   LEU  123 - HD2   HIS  122   4.55 +/- 0.87  73.192% * 51.4849% (0.49   4.65  39.18) =  92.899%  kept
          QD2   LEU  123 - HD2   HIS  122   6.87 +/- 0.59   5.227% * 44.1403% (0.49   3.99  39.18) =   5.688%  kept
          HB3   LEU  104 - HD2   HIS  122   6.99 +/- 1.41  14.325% *  3.9368% (0.84   0.21   0.02) =   1.390%  kept
          QG1   VAL   70 - HD2   HIS  122   7.56 +/- 1.01   6.977% *  0.1265% (0.28   0.02   0.02) =   0.022%
          QD1   LEU   71 - HD2   HIS  122  13.39 +/- 0.70   0.105% *  0.2214% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD2   HIS  122  12.53 +/- 1.01   0.174% *  0.0900% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.33, residual support = 3.84:
        T QG2   THR  118 - HD2   HIS  122   3.25 +/- 0.09 100.000% *100.0000% (0.69 10.00   1.33   3.84) = 100.000%  kept
    Distance limit 3.76 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 = 0.883, support = 0.753, residual support = 31.4:
          HB3   LEU   73 - HE3   TRP   27   5.24 +/- 0.33  61.600% * 53.4189% (0.94   0.75  33.80) =  92.855%  kept
          HG3   LYS+  65 - HN    LEU   67   6.75 +/- 0.74  16.577% * 10.3323% (0.15   0.90   0.02) =   4.833%  kept
          HB3   LYS+  74 - HE3   TRP   27   9.42 +/- 0.93   2.543% * 18.0286% (0.31   0.78   0.02) =   1.294%  kept
          HB2   LEU   80 - HE3   TRP   27  11.98 +/- 5.28   6.276% *  4.6313% (0.17   0.35   0.02) =   0.820%  kept
          QB    LEU   98 - HE3   TRP   27   9.52 +/- 1.40   2.415% *  0.8526% (0.56   0.02   0.02) =   0.058%
          HB    VAL   42 - HE3   TRP   27  10.49 +/- 0.82   1.013% *  1.4761% (0.97   0.02   0.02) =   0.042%
          HG3   LYS+  33 - HE3   TRP   27  12.41 +/- 1.80   0.918% *  1.5025% (0.99   0.02   0.02) =   0.039%
          HB    VAL   42 - HN    LEU   67   8.78 +/- 1.17   3.633% *  0.2297% (0.15   0.02   0.02) =   0.024%
          HG    LEU   98 - HE3   TRP   27   9.87 +/- 1.74   2.588% *  0.2038% (0.13   0.02   0.02) =   0.015%
          QB    ALA   84 - HE3   TRP   27  13.08 +/- 2.93   0.645% *  0.2980% (0.20   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HE3   TRP   27  14.68 +/- 1.40   0.147% *  1.1508% (0.76   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HE3   TRP   27  17.87 +/- 1.93   0.046% *  1.3901% (0.91   0.02   0.02) =   0.002%
          HB3   PRO   93 - HE3   TRP   27  14.97 +/- 1.24   0.136% *  0.3353% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.83 +/- 0.62   0.194% *  0.2217% (0.15   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  20.31 +/- 1.57   0.021% *  1.4761% (0.97   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   67  13.71 +/- 1.02   0.215% *  0.1327% (0.09   0.02   0.02) =   0.001%
          QB    ALA   12 - HE3   TRP   27  20.68 +/- 1.62   0.020% *  1.2578% (0.83   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   67  14.57 +/- 2.68   0.306% *  0.0651% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   67  15.64 +/- 1.10   0.099% *  0.1957% (0.13   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   67  13.94 +/- 1.22   0.209% *  0.0723% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.53 +/- 1.40   0.050% *  0.2338% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  17.26 +/- 1.56   0.058% *  0.1791% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  23.98 +/- 1.07   0.007% *  1.3062% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.19 +/- 2.35   0.017% *  0.4187% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  19.89 +/- 1.69   0.025% *  0.2163% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  19.53 +/- 1.25   0.025% *  0.2033% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  14.88 +/- 1.60   0.152% *  0.0317% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  17.24 +/- 1.08   0.052% *  0.0522% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  23.35 +/- 1.13   0.008% *  0.0464% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  24.49 +/- 2.16   0.007% *  0.0410% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.48 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        :    116
      with multiple volume contributions     :     88
      eliminated by violation filter         :     18
 
    Peaks:
      selected                               :    244
      without assignment                     :     31
      with assignment                        :    213
      with unique assignment                 :    140
      with multiple assignment               :     73
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    181
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       4.0
    HZ2   TRP   87       2.8
    HH2   TRP   87       3.0